USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 492 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 Set 1.1: A 14 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 66 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Set 2.1: A 49 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 50 HIS : no HD1:sc=-0.00589 X(o=-0.0059,f=0) USER MOD Set 3.1: A 35 LYS NZ :NH3+ -170:sc= 0.49 (180deg=-0.441) USER MOD Set 3.2: A 36 SER OG : rot -170:sc= 0.55 USER MOD Set 4.1: A 7 SER OG : rot -171:sc= 0.751 USER MOD Set 4.2: A 9 SER OG : rot 180:sc= 0 USER MOD Set 4.3: A 10 THR OG1 : rot 99:sc= 1.69 USER MOD Single : A 1 LYS N :NH3+ -176:sc= 0.862 (180deg=0.85) USER MOD Single : A 1 LYS NZ :NH3+ 152:sc= 1.17 (180deg=0.632) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 179:sc= 1.22 (180deg=1.21) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -0.17 K(o=-0.17,f=-1.8!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0.49 K(o=0.49,f=-1.5) USER MOD Single : A 32 GLN : amide:sc= 0.816 K(o=0.82,f=-0.055) USER MOD Single : A 33 TYR OH : rot 176:sc= 1.32 USER MOD Single : A 37 SER OG : rot 32:sc= 1.21 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0.537 K(o=0.54,f=-0.00076) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 24.813 35.561 36.079 1.00 0.00 N ATOM 2 CA LYS A 1 25.787 34.614 36.659 1.00 0.00 C ATOM 3 C LYS A 1 26.066 33.514 35.642 1.00 0.00 C ATOM 4 O LYS A 1 25.130 32.994 35.040 1.00 0.00 O ATOM 5 CB LYS A 1 25.342 34.000 37.997 1.00 0.00 C ATOM 6 CG LYS A 1 25.534 34.915 39.220 1.00 0.00 C ATOM 7 CD LYS A 1 25.465 34.067 40.502 1.00 0.00 C ATOM 8 CE LYS A 1 25.634 34.888 41.786 1.00 0.00 C ATOM 9 NZ LYS A 1 25.892 34.020 42.965 1.00 0.00 N ATOM 0 H1 LYS A 1 24.665 36.353 36.736 1.00 0.00 H new ATOM 0 H2 LYS A 1 25.178 35.924 35.175 1.00 0.00 H new ATOM 0 H3 LYS A 1 23.909 35.073 35.916 1.00 0.00 H new ATOM 0 HA LYS A 1 26.691 35.181 36.883 1.00 0.00 H new ATOM 0 HB2 LYS A 1 24.289 33.729 37.925 1.00 0.00 H new ATOM 0 HB3 LYS A 1 25.898 33.077 38.160 1.00 0.00 H new ATOM 0 HG2 LYS A 1 26.495 35.426 39.159 1.00 0.00 H new ATOM 0 HG3 LYS A 1 24.763 35.685 39.237 1.00 0.00 H new ATOM 0 HD2 LYS A 1 24.507 33.549 40.535 1.00 0.00 H new ATOM 0 HD3 LYS A 1 26.240 33.302 40.464 1.00 0.00 H new ATOM 0 HE2 LYS A 1 26.459 35.589 41.663 1.00 0.00 H new ATOM 0 HE3 LYS A 1 24.736 35.480 41.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 26.448 34.547 43.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 24.987 33.728 43.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 26.422 33.177 42.666 1.00 0.00 H new ATOM 25 N GLU A 2 27.338 33.167 35.446 1.00 0.00 N ATOM 26 CA GLU A 2 27.824 32.271 34.382 1.00 0.00 C ATOM 27 C GLU A 2 28.810 31.213 34.919 1.00 0.00 C ATOM 28 O GLU A 2 29.320 31.348 36.037 1.00 0.00 O ATOM 29 CB GLU A 2 28.516 33.081 33.269 1.00 0.00 C ATOM 30 CG GLU A 2 27.716 34.244 32.664 1.00 0.00 C ATOM 31 CD GLU A 2 27.677 35.480 33.566 1.00 0.00 C ATOM 32 OE1 GLU A 2 28.746 35.971 34.004 1.00 0.00 O ATOM 33 OE2 GLU A 2 26.561 35.952 33.896 1.00 0.00 O ATOM 0 H GLU A 2 28.090 33.512 36.042 1.00 0.00 H new ATOM 0 HA GLU A 2 26.951 31.755 33.982 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.448 33.481 33.668 1.00 0.00 H new ATOM 0 HB3 GLU A 2 28.782 32.396 32.464 1.00 0.00 H new ATOM 0 HG2 GLU A 2 28.153 34.516 31.703 1.00 0.00 H new ATOM 0 HG3 GLU A 2 26.696 33.912 32.468 1.00 0.00 H new ATOM 40 N GLY A 3 29.093 30.172 34.128 1.00 0.00 N ATOM 41 CA GLY A 3 30.072 29.125 34.452 1.00 0.00 C ATOM 42 C GLY A 3 30.319 28.136 33.306 1.00 0.00 C ATOM 43 O GLY A 3 29.604 28.136 32.303 1.00 0.00 O ATOM 0 H GLY A 3 28.639 30.030 33.226 1.00 0.00 H new ATOM 0 HA2 GLY A 3 31.017 29.595 34.724 1.00 0.00 H new ATOM 0 HA3 GLY A 3 29.726 28.575 35.327 1.00 0.00 H new ATOM 47 N TYR A 4 31.327 27.271 33.443 1.00 0.00 N ATOM 48 CA TYR A 4 31.645 26.244 32.443 1.00 0.00 C ATOM 49 C TYR A 4 30.756 25.003 32.612 1.00 0.00 C ATOM 50 O TYR A 4 30.236 24.740 33.700 1.00 0.00 O ATOM 51 CB TYR A 4 33.138 25.903 32.506 1.00 0.00 C ATOM 52 CG TYR A 4 33.647 25.078 31.338 1.00 0.00 C ATOM 53 CD1 TYR A 4 33.840 25.685 30.082 1.00 0.00 C ATOM 54 CD2 TYR A 4 33.933 23.710 31.504 1.00 0.00 C ATOM 55 CE1 TYR A 4 34.346 24.937 29.002 1.00 0.00 C ATOM 56 CE2 TYR A 4 34.427 22.954 30.422 1.00 0.00 C ATOM 57 CZ TYR A 4 34.649 23.571 29.173 1.00 0.00 C ATOM 58 OH TYR A 4 35.199 22.864 28.149 1.00 0.00 O ATOM 0 H TYR A 4 31.948 27.262 34.252 1.00 0.00 H new ATOM 0 HA TYR A 4 31.432 26.639 31.450 1.00 0.00 H new ATOM 0 HB2 TYR A 4 33.708 26.831 32.554 1.00 0.00 H new ATOM 0 HB3 TYR A 4 33.335 25.360 33.430 1.00 0.00 H new ATOM 0 HD1 TYR A 4 33.599 26.729 29.947 1.00 0.00 H new ATOM 0 HD2 TYR A 4 33.774 23.239 32.463 1.00 0.00 H new ATOM 0 HE1 TYR A 4 34.502 25.409 28.043 1.00 0.00 H new ATOM 0 HE2 TYR A 4 34.636 21.902 30.549 1.00 0.00 H new ATOM 0 HH TYR A 4 35.346 21.938 28.433 1.00 0.00 H new ATOM 68 N LEU A 5 30.554 24.232 31.541 1.00 0.00 N ATOM 69 CA LEU A 5 29.670 23.067 31.562 1.00 0.00 C ATOM 70 C LEU A 5 30.412 21.767 31.917 1.00 0.00 C ATOM 71 O LEU A 5 31.550 21.531 31.515 1.00 0.00 O ATOM 72 CB LEU A 5 28.897 23.003 30.235 1.00 0.00 C ATOM 73 CG LEU A 5 27.796 21.926 30.183 1.00 0.00 C ATOM 74 CD1 LEU A 5 26.748 22.027 31.300 1.00 0.00 C ATOM 75 CD2 LEU A 5 27.057 22.033 28.855 1.00 0.00 C ATOM 0 H LEU A 5 30.998 24.398 30.638 1.00 0.00 H new ATOM 0 HA LEU A 5 28.944 23.179 32.367 1.00 0.00 H new ATOM 0 HB2 LEU A 5 28.444 23.976 30.047 1.00 0.00 H new ATOM 0 HB3 LEU A 5 29.605 22.819 29.426 1.00 0.00 H new ATOM 0 HG LEU A 5 28.313 20.974 30.309 1.00 0.00 H new ATOM 0 HD11 LEU A 5 26.014 21.230 31.183 1.00 0.00 H new ATOM 0 HD12 LEU A 5 27.238 21.930 32.269 1.00 0.00 H new ATOM 0 HD13 LEU A 5 26.247 22.993 31.242 1.00 0.00 H new ATOM 0 HD21 LEU A 5 26.276 21.274 28.811 1.00 0.00 H new ATOM 0 HD22 LEU A 5 26.607 23.022 28.768 1.00 0.00 H new ATOM 0 HD23 LEU A 5 27.759 21.880 28.035 1.00 0.00 H new ATOM 87 N VAL A 6 29.727 20.895 32.656 1.00 0.00 N ATOM 88 CA VAL A 6 30.203 19.574 33.079 1.00 0.00 C ATOM 89 C VAL A 6 29.111 18.525 32.836 1.00 0.00 C ATOM 90 O VAL A 6 27.920 18.824 32.970 1.00 0.00 O ATOM 91 CB VAL A 6 30.704 19.645 34.540 1.00 0.00 C ATOM 92 CG1 VAL A 6 29.597 19.941 35.559 1.00 0.00 C ATOM 93 CG2 VAL A 6 31.436 18.375 34.971 1.00 0.00 C ATOM 0 H VAL A 6 28.785 21.096 32.992 1.00 0.00 H new ATOM 0 HA VAL A 6 31.058 19.259 32.481 1.00 0.00 H new ATOM 0 HB VAL A 6 31.399 20.484 34.538 1.00 0.00 H new ATOM 0 HG11 VAL A 6 30.025 19.975 36.561 1.00 0.00 H new ATOM 0 HG12 VAL A 6 29.137 20.902 35.328 1.00 0.00 H new ATOM 0 HG13 VAL A 6 28.842 19.157 35.514 1.00 0.00 H new ATOM 0 HG21 VAL A 6 31.766 18.478 36.005 1.00 0.00 H new ATOM 0 HG22 VAL A 6 30.763 17.522 34.889 1.00 0.00 H new ATOM 0 HG23 VAL A 6 32.302 18.218 34.327 1.00 0.00 H new ATOM 103 N SER A 7 29.496 17.312 32.436 1.00 0.00 N ATOM 104 CA SER A 7 28.581 16.179 32.202 1.00 0.00 C ATOM 105 C SER A 7 28.799 15.049 33.209 1.00 0.00 C ATOM 106 O SER A 7 29.857 14.959 33.837 1.00 0.00 O ATOM 107 CB SER A 7 28.731 15.651 30.771 1.00 0.00 C ATOM 108 OG SER A 7 29.976 15.006 30.622 1.00 0.00 O ATOM 0 H SER A 7 30.473 17.078 32.260 1.00 0.00 H new ATOM 0 HA SER A 7 27.566 16.551 32.339 1.00 0.00 H new ATOM 0 HB2 SER A 7 27.923 14.956 30.545 1.00 0.00 H new ATOM 0 HB3 SER A 7 28.651 16.474 30.061 1.00 0.00 H new ATOM 0 HG SER A 7 30.127 14.802 29.676 1.00 0.00 H new ATOM 114 N LYS A 8 27.821 14.148 33.343 1.00 0.00 N ATOM 115 CA LYS A 8 27.953 12.919 34.144 1.00 0.00 C ATOM 116 C LYS A 8 28.571 11.772 33.329 1.00 0.00 C ATOM 117 O LYS A 8 29.327 10.964 33.875 1.00 0.00 O ATOM 118 CB LYS A 8 26.576 12.586 34.740 1.00 0.00 C ATOM 119 CG LYS A 8 26.666 11.549 35.868 1.00 0.00 C ATOM 120 CD LYS A 8 25.310 11.396 36.566 1.00 0.00 C ATOM 121 CE LYS A 8 25.429 10.385 37.709 1.00 0.00 C ATOM 122 NZ LYS A 8 24.147 10.207 38.425 1.00 0.00 N ATOM 0 H LYS A 8 26.909 14.248 32.898 1.00 0.00 H new ATOM 0 HA LYS A 8 28.652 13.073 34.966 1.00 0.00 H new ATOM 0 HB2 LYS A 8 26.118 13.498 35.123 1.00 0.00 H new ATOM 0 HB3 LYS A 8 25.923 12.208 33.953 1.00 0.00 H new ATOM 0 HG2 LYS A 8 26.983 10.588 35.462 1.00 0.00 H new ATOM 0 HG3 LYS A 8 27.422 11.855 36.592 1.00 0.00 H new ATOM 0 HD2 LYS A 8 24.979 12.360 36.953 1.00 0.00 H new ATOM 0 HD3 LYS A 8 24.557 11.064 35.851 1.00 0.00 H new ATOM 0 HE2 LYS A 8 25.759 9.425 37.312 1.00 0.00 H new ATOM 0 HE3 LYS A 8 26.193 10.719 38.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 24.270 9.515 39.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 23.844 11.117 38.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 23.424 9.864 37.761 1.00 0.00 H new ATOM 136 N SER A 9 28.334 11.761 32.014 1.00 0.00 N ATOM 137 CA SER A 9 28.833 10.756 31.064 1.00 0.00 C ATOM 138 C SER A 9 30.326 10.871 30.731 1.00 0.00 C ATOM 139 O SER A 9 30.973 9.846 30.505 1.00 0.00 O ATOM 140 CB SER A 9 28.019 10.844 29.767 1.00 0.00 C ATOM 141 OG SER A 9 28.061 12.153 29.217 1.00 0.00 O ATOM 0 H SER A 9 27.767 12.479 31.562 1.00 0.00 H new ATOM 0 HA SER A 9 28.711 9.791 31.556 1.00 0.00 H new ATOM 0 HB2 SER A 9 28.409 10.130 29.042 1.00 0.00 H new ATOM 0 HB3 SER A 9 26.984 10.564 29.965 1.00 0.00 H new ATOM 0 HG SER A 9 27.535 12.178 28.391 1.00 0.00 H new ATOM 147 N THR A 10 30.885 12.090 30.703 1.00 0.00 N ATOM 148 CA THR A 10 32.284 12.353 30.293 1.00 0.00 C ATOM 149 C THR A 10 33.044 13.356 31.169 1.00 0.00 C ATOM 150 O THR A 10 34.269 13.418 31.065 1.00 0.00 O ATOM 151 CB THR A 10 32.368 12.814 28.820 1.00 0.00 C ATOM 152 OG1 THR A 10 31.551 13.941 28.568 1.00 0.00 O ATOM 153 CG2 THR A 10 31.921 11.729 27.843 1.00 0.00 C ATOM 0 H THR A 10 30.377 12.935 30.966 1.00 0.00 H new ATOM 0 HA THR A 10 32.775 11.389 30.424 1.00 0.00 H new ATOM 0 HB THR A 10 33.420 13.055 28.666 1.00 0.00 H new ATOM 0 HG1 THR A 10 32.098 14.754 28.591 1.00 0.00 H new ATOM 0 HG21 THR A 10 31.999 12.104 26.822 1.00 0.00 H new ATOM 0 HG22 THR A 10 32.558 10.852 27.957 1.00 0.00 H new ATOM 0 HG23 THR A 10 30.886 11.456 28.051 1.00 0.00 H new ATOM 161 N GLY A 11 32.381 14.143 32.025 1.00 0.00 N ATOM 162 CA GLY A 11 32.986 15.260 32.767 1.00 0.00 C ATOM 163 C GLY A 11 33.304 16.441 31.846 1.00 0.00 C ATOM 164 O GLY A 11 32.596 17.453 31.842 1.00 0.00 O ATOM 0 H GLY A 11 31.389 14.020 32.227 1.00 0.00 H new ATOM 0 HA2 GLY A 11 32.306 15.585 33.555 1.00 0.00 H new ATOM 0 HA3 GLY A 11 33.900 14.921 33.254 1.00 0.00 H new ATOM 168 N CYS A 12 34.331 16.275 31.013 1.00 0.00 N ATOM 169 CA CYS A 12 34.676 17.162 29.904 1.00 0.00 C ATOM 170 C CYS A 12 33.530 17.267 28.884 1.00 0.00 C ATOM 171 O CYS A 12 32.769 16.312 28.691 1.00 0.00 O ATOM 172 CB CYS A 12 35.924 16.613 29.201 1.00 0.00 C ATOM 173 SG CYS A 12 37.362 16.309 30.261 1.00 0.00 S ATOM 0 H CYS A 12 34.972 15.486 31.097 1.00 0.00 H new ATOM 0 HA CYS A 12 34.862 18.158 30.307 1.00 0.00 H new ATOM 0 HB2 CYS A 12 35.657 15.679 28.707 1.00 0.00 H new ATOM 0 HB3 CYS A 12 36.215 17.315 28.420 1.00 0.00 H new ATOM 178 N LYS A 13 33.456 18.399 28.177 1.00 0.00 N ATOM 179 CA LYS A 13 32.533 18.647 27.056 1.00 0.00 C ATOM 180 C LYS A 13 33.307 18.775 25.745 1.00 0.00 C ATOM 181 O LYS A 13 34.446 19.245 25.740 1.00 0.00 O ATOM 182 CB LYS A 13 31.682 19.900 27.326 1.00 0.00 C ATOM 183 CG LYS A 13 30.841 19.826 28.613 1.00 0.00 C ATOM 184 CD LYS A 13 29.783 18.713 28.654 1.00 0.00 C ATOM 185 CE LYS A 13 28.713 18.893 27.570 1.00 0.00 C ATOM 186 NZ LYS A 13 27.557 17.996 27.802 1.00 0.00 N ATOM 0 H LYS A 13 34.057 19.199 28.374 1.00 0.00 H new ATOM 0 HA LYS A 13 31.857 17.797 26.965 1.00 0.00 H new ATOM 0 HB2 LYS A 13 32.340 20.767 27.385 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.016 20.063 26.479 1.00 0.00 H new ATOM 0 HG2 LYS A 13 31.516 19.692 29.459 1.00 0.00 H new ATOM 0 HG3 LYS A 13 30.340 20.784 28.753 1.00 0.00 H new ATOM 0 HD2 LYS A 13 30.270 17.746 28.525 1.00 0.00 H new ATOM 0 HD3 LYS A 13 29.307 18.702 29.634 1.00 0.00 H new ATOM 0 HE2 LYS A 13 28.375 19.929 27.558 1.00 0.00 H new ATOM 0 HE3 LYS A 13 29.146 18.687 26.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 26.842 18.152 27.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 27.874 17.006 27.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 27.141 18.199 28.734 1.00 0.00 H new ATOM 200 N TYR A 14 32.702 18.359 24.635 1.00 0.00 N ATOM 201 CA TYR A 14 33.375 18.274 23.331 1.00 0.00 C ATOM 202 C TYR A 14 32.855 19.318 22.331 1.00 0.00 C ATOM 203 O TYR A 14 31.736 19.821 22.467 1.00 0.00 O ATOM 204 CB TYR A 14 33.313 16.825 22.823 1.00 0.00 C ATOM 205 CG TYR A 14 33.867 15.766 23.777 1.00 0.00 C ATOM 206 CD1 TYR A 14 35.003 16.025 24.575 1.00 0.00 C ATOM 207 CD2 TYR A 14 33.241 14.506 23.868 1.00 0.00 C ATOM 208 CE1 TYR A 14 35.501 15.048 25.457 1.00 0.00 C ATOM 209 CE2 TYR A 14 33.753 13.516 24.731 1.00 0.00 C ATOM 210 CZ TYR A 14 34.890 13.783 25.527 1.00 0.00 C ATOM 211 OH TYR A 14 35.421 12.822 26.328 1.00 0.00 O ATOM 0 H TYR A 14 31.725 18.068 24.610 1.00 0.00 H new ATOM 0 HA TYR A 14 34.427 18.533 23.450 1.00 0.00 H new ATOM 0 HB2 TYR A 14 32.274 16.581 22.601 1.00 0.00 H new ATOM 0 HB3 TYR A 14 33.862 16.765 21.883 1.00 0.00 H new ATOM 0 HD1 TYR A 14 35.495 16.984 24.508 1.00 0.00 H new ATOM 0 HD2 TYR A 14 32.364 14.298 23.273 1.00 0.00 H new ATOM 0 HE1 TYR A 14 36.354 15.270 26.081 1.00 0.00 H new ATOM 0 HE2 TYR A 14 33.274 12.549 24.784 1.00 0.00 H new ATOM 0 HH TYR A 14 34.880 12.007 26.264 1.00 0.00 H new ATOM 221 N GLU A 15 33.692 19.693 21.360 1.00 0.00 N ATOM 222 CA GLU A 15 33.516 20.916 20.561 1.00 0.00 C ATOM 223 C GLU A 15 32.214 21.015 19.746 1.00 0.00 C ATOM 224 O GLU A 15 31.669 20.013 19.273 1.00 0.00 O ATOM 225 CB GLU A 15 34.733 21.150 19.646 1.00 0.00 C ATOM 226 CG GLU A 15 34.908 20.078 18.558 1.00 0.00 C ATOM 227 CD GLU A 15 36.048 20.426 17.598 1.00 0.00 C ATOM 228 OE1 GLU A 15 37.232 20.173 17.934 1.00 0.00 O ATOM 229 OE2 GLU A 15 35.761 20.930 16.484 1.00 0.00 O ATOM 0 H GLU A 15 34.519 19.154 21.102 1.00 0.00 H new ATOM 0 HA GLU A 15 33.434 21.706 21.307 1.00 0.00 H new ATOM 0 HB2 GLU A 15 34.635 22.125 19.169 1.00 0.00 H new ATOM 0 HB3 GLU A 15 35.634 21.184 20.258 1.00 0.00 H new ATOM 0 HG2 GLU A 15 35.108 19.114 19.026 1.00 0.00 H new ATOM 0 HG3 GLU A 15 33.979 19.974 17.997 1.00 0.00 H new ATOM 236 N CYS A 16 31.769 22.262 19.555 1.00 0.00 N ATOM 237 CA CYS A 16 30.609 22.642 18.748 1.00 0.00 C ATOM 238 C CYS A 16 30.902 22.678 17.237 1.00 0.00 C ATOM 239 O CYS A 16 32.060 22.748 16.808 1.00 0.00 O ATOM 240 CB CYS A 16 30.141 24.036 19.179 1.00 0.00 C ATOM 241 SG CYS A 16 29.684 24.250 20.913 1.00 0.00 S ATOM 0 H CYS A 16 32.229 23.068 19.978 1.00 0.00 H new ATOM 0 HA CYS A 16 29.845 21.883 18.916 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.935 24.746 18.948 1.00 0.00 H new ATOM 0 HB3 CYS A 16 29.282 24.309 18.566 1.00 0.00 H new ATOM 246 N LEU A 17 29.849 22.733 16.415 1.00 0.00 N ATOM 247 CA LEU A 17 29.969 22.852 14.956 1.00 0.00 C ATOM 248 C LEU A 17 30.347 24.261 14.468 1.00 0.00 C ATOM 249 O LEU A 17 31.050 24.352 13.459 1.00 0.00 O ATOM 250 CB LEU A 17 28.686 22.331 14.280 1.00 0.00 C ATOM 251 CG LEU A 17 28.705 20.832 13.921 1.00 0.00 C ATOM 252 CD1 LEU A 17 29.717 20.541 12.808 1.00 0.00 C ATOM 253 CD2 LEU A 17 29.010 19.911 15.105 1.00 0.00 C ATOM 0 H LEU A 17 28.884 22.696 16.744 1.00 0.00 H new ATOM 0 HA LEU A 17 30.810 22.227 14.657 1.00 0.00 H new ATOM 0 HB2 LEU A 17 27.841 22.521 14.942 1.00 0.00 H new ATOM 0 HB3 LEU A 17 28.513 22.906 13.370 1.00 0.00 H new ATOM 0 HG LEU A 17 27.691 20.616 13.586 1.00 0.00 H new ATOM 0 HD11 LEU A 17 29.707 19.476 12.577 1.00 0.00 H new ATOM 0 HD12 LEU A 17 29.450 21.108 11.916 1.00 0.00 H new ATOM 0 HD13 LEU A 17 30.714 20.832 13.138 1.00 0.00 H new ATOM 0 HD21 LEU A 17 29.005 18.874 14.770 1.00 0.00 H new ATOM 0 HD22 LEU A 17 29.991 20.156 15.513 1.00 0.00 H new ATOM 0 HD23 LEU A 17 28.252 20.047 15.876 1.00 0.00 H new ATOM 265 N LYS A 18 29.975 25.331 15.188 1.00 0.00 N ATOM 266 CA LYS A 18 30.519 26.690 15.001 1.00 0.00 C ATOM 267 C LYS A 18 30.898 27.348 16.332 1.00 0.00 C ATOM 268 O LYS A 18 30.302 27.080 17.376 1.00 0.00 O ATOM 269 CB LYS A 18 29.554 27.588 14.199 1.00 0.00 C ATOM 270 CG LYS A 18 29.522 27.237 12.703 1.00 0.00 C ATOM 271 CD LYS A 18 28.769 28.300 11.890 1.00 0.00 C ATOM 272 CE LYS A 18 28.690 27.922 10.403 1.00 0.00 C ATOM 273 NZ LYS A 18 28.066 29.004 9.603 1.00 0.00 N ATOM 0 H LYS A 18 29.276 25.278 15.929 1.00 0.00 H new ATOM 0 HA LYS A 18 31.434 26.579 14.419 1.00 0.00 H new ATOM 0 HB2 LYS A 18 28.549 27.494 14.612 1.00 0.00 H new ATOM 0 HB3 LYS A 18 29.851 28.630 14.317 1.00 0.00 H new ATOM 0 HG2 LYS A 18 30.541 27.146 12.328 1.00 0.00 H new ATOM 0 HG3 LYS A 18 29.044 26.267 12.566 1.00 0.00 H new ATOM 0 HD2 LYS A 18 27.762 28.419 12.290 1.00 0.00 H new ATOM 0 HD3 LYS A 18 29.270 29.262 11.996 1.00 0.00 H new ATOM 0 HE2 LYS A 18 29.691 27.718 10.024 1.00 0.00 H new ATOM 0 HE3 LYS A 18 28.113 27.004 10.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 28.027 28.719 8.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 27.102 29.181 9.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 28.631 29.872 9.693 1.00 0.00 H new ATOM 287 N LEU A 19 31.874 28.251 16.276 1.00 0.00 N ATOM 288 CA LEU A 19 32.333 29.069 17.401 1.00 0.00 C ATOM 289 C LEU A 19 31.421 30.296 17.589 1.00 0.00 C ATOM 290 O LEU A 19 30.894 30.833 16.611 1.00 0.00 O ATOM 291 CB LEU A 19 33.808 29.435 17.141 1.00 0.00 C ATOM 292 CG LEU A 19 34.529 30.149 18.296 1.00 0.00 C ATOM 293 CD1 LEU A 19 34.595 29.274 19.547 1.00 0.00 C ATOM 294 CD2 LEU A 19 35.961 30.481 17.879 1.00 0.00 C ATOM 0 H LEU A 19 32.387 28.442 15.415 1.00 0.00 H new ATOM 0 HA LEU A 19 32.274 28.520 18.341 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.354 28.522 16.905 1.00 0.00 H new ATOM 0 HB3 LEU A 19 33.855 30.072 16.258 1.00 0.00 H new ATOM 0 HG LEU A 19 33.965 31.054 18.523 1.00 0.00 H new ATOM 0 HD11 LEU A 19 35.112 29.813 20.341 1.00 0.00 H new ATOM 0 HD12 LEU A 19 33.584 29.029 19.873 1.00 0.00 H new ATOM 0 HD13 LEU A 19 35.136 28.355 19.320 1.00 0.00 H new ATOM 0 HD21 LEU A 19 36.471 30.987 18.699 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.492 29.561 17.635 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.944 31.132 17.005 1.00 0.00 H new ATOM 306 N GLY A 20 31.199 30.736 18.831 1.00 0.00 N ATOM 307 CA GLY A 20 30.309 31.861 19.160 1.00 0.00 C ATOM 308 C GLY A 20 28.805 31.566 19.019 1.00 0.00 C ATOM 309 O GLY A 20 27.980 32.419 19.356 1.00 0.00 O ATOM 0 H GLY A 20 31.638 30.316 19.651 1.00 0.00 H new ATOM 0 HA2 GLY A 20 30.508 32.174 20.185 1.00 0.00 H new ATOM 0 HA3 GLY A 20 30.560 32.703 18.516 1.00 0.00 H new ATOM 313 N ASP A 21 28.433 30.371 18.547 1.00 0.00 N ATOM 314 CA ASP A 21 27.048 29.910 18.429 1.00 0.00 C ATOM 315 C ASP A 21 26.388 29.735 19.805 1.00 0.00 C ATOM 316 O ASP A 21 27.002 29.174 20.716 1.00 0.00 O ATOM 317 CB ASP A 21 27.018 28.574 17.669 1.00 0.00 C ATOM 318 CG ASP A 21 25.600 28.005 17.613 1.00 0.00 C ATOM 319 OD1 ASP A 21 24.804 28.498 16.777 1.00 0.00 O ATOM 320 OD2 ASP A 21 25.256 27.139 18.452 1.00 0.00 O ATOM 0 H ASP A 21 29.109 29.678 18.227 1.00 0.00 H new ATOM 0 HA ASP A 21 26.485 30.667 17.883 1.00 0.00 H new ATOM 0 HB2 ASP A 21 27.395 28.719 16.657 1.00 0.00 H new ATOM 0 HB3 ASP A 21 27.681 27.859 18.157 1.00 0.00 H new ATOM 325 N ASN A 22 25.120 30.133 19.938 1.00 0.00 N ATOM 326 CA ASN A 22 24.353 30.036 21.184 1.00 0.00 C ATOM 327 C ASN A 22 23.040 29.236 21.080 1.00 0.00 C ATOM 328 O ASN A 22 22.159 29.384 21.927 1.00 0.00 O ATOM 329 CB ASN A 22 24.217 31.444 21.791 1.00 0.00 C ATOM 330 CG ASN A 22 23.184 32.356 21.153 1.00 0.00 C ATOM 331 OD1 ASN A 22 22.457 32.006 20.234 1.00 0.00 O ATOM 332 ND2 ASN A 22 23.082 33.558 21.663 1.00 0.00 N ATOM 0 H ASN A 22 24.587 30.539 19.169 1.00 0.00 H new ATOM 0 HA ASN A 22 24.913 29.417 21.885 1.00 0.00 H new ATOM 0 HB2 ASN A 22 23.973 31.338 22.848 1.00 0.00 H new ATOM 0 HB3 ASN A 22 25.188 31.936 21.735 1.00 0.00 H new ATOM 0 HD21 ASN A 22 22.392 34.212 21.294 1.00 0.00 H new ATOM 0 HD22 ASN A 22 23.693 33.840 22.429 1.00 0.00 H new ATOM 339 N ASP A 23 22.898 28.394 20.056 1.00 0.00 N ATOM 340 CA ASP A 23 21.680 27.623 19.760 1.00 0.00 C ATOM 341 C ASP A 23 21.799 26.134 20.150 1.00 0.00 C ATOM 342 O ASP A 23 20.842 25.545 20.656 1.00 0.00 O ATOM 343 CB ASP A 23 21.365 27.815 18.270 1.00 0.00 C ATOM 344 CG ASP A 23 19.989 27.287 17.863 1.00 0.00 C ATOM 345 OD1 ASP A 23 18.957 27.818 18.343 1.00 0.00 O ATOM 346 OD2 ASP A 23 19.954 26.375 17.004 1.00 0.00 O ATOM 0 H ASP A 23 23.648 28.221 19.386 1.00 0.00 H new ATOM 0 HA ASP A 23 20.856 27.995 20.369 1.00 0.00 H new ATOM 0 HB2 ASP A 23 21.424 28.876 18.028 1.00 0.00 H new ATOM 0 HB3 ASP A 23 22.128 27.311 17.678 1.00 0.00 H new ATOM 351 N TYR A 24 22.987 25.542 19.988 1.00 0.00 N ATOM 352 CA TYR A 24 23.310 24.165 20.393 1.00 0.00 C ATOM 353 C TYR A 24 23.408 23.989 21.922 1.00 0.00 C ATOM 354 O TYR A 24 22.859 23.032 22.478 1.00 0.00 O ATOM 355 CB TYR A 24 24.624 23.773 19.699 1.00 0.00 C ATOM 356 CG TYR A 24 25.180 22.414 20.076 1.00 0.00 C ATOM 357 CD1 TYR A 24 24.613 21.248 19.533 1.00 0.00 C ATOM 358 CD2 TYR A 24 26.298 22.322 20.930 1.00 0.00 C ATOM 359 CE1 TYR A 24 25.148 19.986 19.857 1.00 0.00 C ATOM 360 CE2 TYR A 24 26.848 21.064 21.241 1.00 0.00 C ATOM 361 CZ TYR A 24 26.267 19.892 20.710 1.00 0.00 C ATOM 362 OH TYR A 24 26.788 18.670 21.000 1.00 0.00 O ATOM 0 H TYR A 24 23.778 26.022 19.558 1.00 0.00 H new ATOM 0 HA TYR A 24 22.498 23.506 20.086 1.00 0.00 H new ATOM 0 HB2 TYR A 24 24.466 23.795 18.621 1.00 0.00 H new ATOM 0 HB3 TYR A 24 25.375 24.530 19.927 1.00 0.00 H new ATOM 0 HD1 TYR A 24 23.766 21.320 18.867 1.00 0.00 H new ATOM 0 HD2 TYR A 24 26.733 23.218 21.346 1.00 0.00 H new ATOM 0 HE1 TYR A 24 24.701 19.090 19.452 1.00 0.00 H new ATOM 0 HE2 TYR A 24 27.713 20.996 21.884 1.00 0.00 H new ATOM 0 HH TYR A 24 27.556 18.776 21.599 1.00 0.00 H new ATOM 372 N CYS A 25 24.052 24.929 22.625 1.00 0.00 N ATOM 373 CA CYS A 25 24.199 24.893 24.087 1.00 0.00 C ATOM 374 C CYS A 25 22.885 25.203 24.836 1.00 0.00 C ATOM 375 O CYS A 25 22.728 24.813 25.994 1.00 0.00 O ATOM 376 CB CYS A 25 25.301 25.874 24.516 1.00 0.00 C ATOM 377 SG CYS A 25 26.931 25.621 23.759 1.00 0.00 S ATOM 0 H CYS A 25 24.489 25.743 22.193 1.00 0.00 H new ATOM 0 HA CYS A 25 24.475 23.874 24.359 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.969 26.886 24.285 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.412 25.814 25.599 1.00 0.00 H new ATOM 382 N LEU A 26 21.920 25.856 24.174 1.00 0.00 N ATOM 383 CA LEU A 26 20.633 26.293 24.742 1.00 0.00 C ATOM 384 C LEU A 26 19.779 25.123 25.273 1.00 0.00 C ATOM 385 O LEU A 26 19.028 25.296 26.231 1.00 0.00 O ATOM 386 CB LEU A 26 19.925 27.127 23.650 1.00 0.00 C ATOM 387 CG LEU A 26 18.634 27.902 23.988 1.00 0.00 C ATOM 388 CD1 LEU A 26 17.368 27.053 23.878 1.00 0.00 C ATOM 389 CD2 LEU A 26 18.674 28.587 25.353 1.00 0.00 C ATOM 0 H LEU A 26 22.016 26.105 23.190 1.00 0.00 H new ATOM 0 HA LEU A 26 20.797 26.905 25.629 1.00 0.00 H new ATOM 0 HB2 LEU A 26 20.649 27.850 23.274 1.00 0.00 H new ATOM 0 HB3 LEU A 26 19.692 26.452 22.826 1.00 0.00 H new ATOM 0 HG LEU A 26 18.590 28.676 23.222 1.00 0.00 H new ATOM 0 HD11 LEU A 26 16.499 27.661 24.129 1.00 0.00 H new ATOM 0 HD12 LEU A 26 17.267 26.680 22.859 1.00 0.00 H new ATOM 0 HD13 LEU A 26 17.433 26.211 24.567 1.00 0.00 H new ATOM 0 HD21 LEU A 26 17.734 29.112 25.524 1.00 0.00 H new ATOM 0 HD22 LEU A 26 18.818 27.838 26.132 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.498 29.300 25.378 1.00 0.00 H new ATOM 401 N ARG A 27 19.967 23.914 24.730 1.00 0.00 N ATOM 402 CA ARG A 27 19.351 22.651 25.192 1.00 0.00 C ATOM 403 C ARG A 27 20.328 21.696 25.892 1.00 0.00 C ATOM 404 O ARG A 27 20.061 20.499 25.996 1.00 0.00 O ATOM 405 CB ARG A 27 18.595 21.997 24.023 1.00 0.00 C ATOM 406 CG ARG A 27 19.527 21.553 22.888 1.00 0.00 C ATOM 407 CD ARG A 27 18.733 20.943 21.732 1.00 0.00 C ATOM 408 NE ARG A 27 19.645 20.543 20.651 1.00 0.00 N ATOM 409 CZ ARG A 27 20.095 21.295 19.668 1.00 0.00 C ATOM 410 NH1 ARG A 27 19.704 22.518 19.484 1.00 0.00 N ATOM 411 NH2 ARG A 27 20.987 20.801 18.866 1.00 0.00 N ATOM 0 H ARG A 27 20.576 23.777 23.924 1.00 0.00 H new ATOM 0 HA ARG A 27 18.636 22.897 25.977 1.00 0.00 H new ATOM 0 HB2 ARG A 27 18.042 21.133 24.392 1.00 0.00 H new ATOM 0 HB3 ARG A 27 17.862 22.702 23.631 1.00 0.00 H new ATOM 0 HG2 ARG A 27 20.101 22.407 22.529 1.00 0.00 H new ATOM 0 HG3 ARG A 27 20.244 20.824 23.266 1.00 0.00 H new ATOM 0 HD2 ARG A 27 18.171 20.078 22.083 1.00 0.00 H new ATOM 0 HD3 ARG A 27 18.007 21.665 21.358 1.00 0.00 H new ATOM 0 HE ARG A 27 19.965 19.575 20.664 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.020 22.935 20.115 1.00 0.00 H new ATOM 0 HH12 ARG A 27 20.081 23.063 18.708 1.00 0.00 H new ATOM 0 HH21 ARG A 27 21.325 19.849 19.004 1.00 0.00 H new ATOM 0 HH22 ARG A 27 21.350 21.365 18.098 1.00 0.00 H new ATOM 425 N GLU A 28 21.482 22.194 26.331 1.00 0.00 N ATOM 426 CA GLU A 28 22.575 21.398 26.910 1.00 0.00 C ATOM 427 C GLU A 28 22.873 21.800 28.370 1.00 0.00 C ATOM 428 O GLU A 28 23.085 20.921 29.209 1.00 0.00 O ATOM 429 CB GLU A 28 23.810 21.541 25.999 1.00 0.00 C ATOM 430 CG GLU A 28 24.915 20.499 26.236 1.00 0.00 C ATOM 431 CD GLU A 28 24.672 19.104 25.644 1.00 0.00 C ATOM 432 OE1 GLU A 28 23.911 18.925 24.661 1.00 0.00 O ATOM 433 OE2 GLU A 28 25.308 18.145 26.147 1.00 0.00 O ATOM 0 H GLU A 28 21.694 23.191 26.295 1.00 0.00 H new ATOM 0 HA GLU A 28 22.280 20.350 26.955 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.486 21.476 24.960 1.00 0.00 H new ATOM 0 HB3 GLU A 28 24.233 22.536 26.139 1.00 0.00 H new ATOM 0 HG2 GLU A 28 25.846 20.888 25.824 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.061 20.394 27.311 1.00 0.00 H new ATOM 440 N CYS A 29 22.830 23.097 28.709 1.00 0.00 N ATOM 441 CA CYS A 29 23.090 23.591 30.069 1.00 0.00 C ATOM 442 C CYS A 29 21.958 23.256 31.067 1.00 0.00 C ATOM 443 O CYS A 29 22.231 22.961 32.234 1.00 0.00 O ATOM 444 CB CYS A 29 23.356 25.108 30.016 1.00 0.00 C ATOM 445 SG CYS A 29 24.852 25.614 29.119 1.00 0.00 S ATOM 0 H CYS A 29 22.612 23.838 28.042 1.00 0.00 H new ATOM 0 HA CYS A 29 23.973 23.074 30.445 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.496 25.593 29.554 1.00 0.00 H new ATOM 0 HB3 CYS A 29 23.423 25.483 31.037 1.00 0.00 H new ATOM 450 N LYS A 30 20.687 23.240 30.631 1.00 0.00 N ATOM 451 CA LYS A 30 19.511 23.089 31.516 1.00 0.00 C ATOM 452 C LYS A 30 19.320 21.699 32.153 1.00 0.00 C ATOM 453 O LYS A 30 18.508 21.550 33.071 1.00 0.00 O ATOM 454 CB LYS A 30 18.232 23.651 30.848 1.00 0.00 C ATOM 455 CG LYS A 30 17.705 22.810 29.676 1.00 0.00 C ATOM 456 CD LYS A 30 16.394 23.313 29.046 1.00 0.00 C ATOM 457 CE LYS A 30 16.517 24.660 28.318 1.00 0.00 C ATOM 458 NZ LYS A 30 15.345 24.899 27.437 1.00 0.00 N ATOM 0 H LYS A 30 20.441 23.332 29.645 1.00 0.00 H new ATOM 0 HA LYS A 30 19.730 23.707 32.387 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.449 23.732 31.602 1.00 0.00 H new ATOM 0 HB3 LYS A 30 18.437 24.660 30.491 1.00 0.00 H new ATOM 0 HG2 LYS A 30 18.471 22.775 28.902 1.00 0.00 H new ATOM 0 HG3 LYS A 30 17.554 21.788 30.022 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.033 22.564 28.341 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.640 23.404 29.828 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.598 25.466 29.048 1.00 0.00 H new ATOM 0 HE3 LYS A 30 17.431 24.674 27.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.453 25.815 26.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.284 24.141 26.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.477 24.908 28.009 1.00 0.00 H new ATOM 472 N GLN A 31 20.114 20.701 31.751 1.00 0.00 N ATOM 473 CA GLN A 31 20.228 19.395 32.429 1.00 0.00 C ATOM 474 C GLN A 31 21.335 19.349 33.509 1.00 0.00 C ATOM 475 O GLN A 31 21.545 18.312 34.135 1.00 0.00 O ATOM 476 CB GLN A 31 20.442 18.267 31.408 1.00 0.00 C ATOM 477 CG GLN A 31 19.302 18.061 30.401 1.00 0.00 C ATOM 478 CD GLN A 31 19.395 18.974 29.188 1.00 0.00 C ATOM 479 OE1 GLN A 31 18.597 19.877 28.997 1.00 0.00 O ATOM 480 NE2 GLN A 31 20.356 18.786 28.318 1.00 0.00 N ATOM 0 H GLN A 31 20.711 20.775 30.927 1.00 0.00 H new ATOM 0 HA GLN A 31 19.281 19.248 32.948 1.00 0.00 H new ATOM 0 HB2 GLN A 31 21.359 18.470 30.855 1.00 0.00 H new ATOM 0 HB3 GLN A 31 20.597 17.334 31.950 1.00 0.00 H new ATOM 0 HG2 GLN A 31 19.306 17.024 30.067 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.349 18.231 30.902 1.00 0.00 H new ATOM 0 HE21 GLN A 31 21.033 18.036 28.460 1.00 0.00 H new ATOM 0 HE22 GLN A 31 20.427 19.389 27.499 1.00 0.00 H new ATOM 489 N GLN A 32 22.056 20.453 33.737 1.00 0.00 N ATOM 490 CA GLN A 32 23.049 20.580 34.812 1.00 0.00 C ATOM 491 C GLN A 32 22.757 21.779 35.731 1.00 0.00 C ATOM 492 O GLN A 32 22.885 21.666 36.953 1.00 0.00 O ATOM 493 CB GLN A 32 24.450 20.653 34.173 1.00 0.00 C ATOM 494 CG GLN A 32 25.600 20.562 35.189 1.00 0.00 C ATOM 495 CD GLN A 32 25.671 19.212 35.895 1.00 0.00 C ATOM 496 OE1 GLN A 32 25.096 19.014 36.958 1.00 0.00 O ATOM 497 NE2 GLN A 32 26.355 18.243 35.331 1.00 0.00 N ATOM 0 H GLN A 32 21.965 21.297 33.171 1.00 0.00 H new ATOM 0 HA GLN A 32 22.998 19.706 35.461 1.00 0.00 H new ATOM 0 HB2 GLN A 32 24.552 19.844 33.449 1.00 0.00 H new ATOM 0 HB3 GLN A 32 24.539 21.588 33.620 1.00 0.00 H new ATOM 0 HG2 GLN A 32 26.544 20.747 34.677 1.00 0.00 H new ATOM 0 HG3 GLN A 32 25.481 21.349 35.934 1.00 0.00 H new ATOM 0 HE21 GLN A 32 26.835 18.406 34.446 1.00 0.00 H new ATOM 0 HE22 GLN A 32 26.407 17.328 35.778 1.00 0.00 H new ATOM 506 N TYR A 33 22.309 22.908 35.172 1.00 0.00 N ATOM 507 CA TYR A 33 22.161 24.189 35.881 1.00 0.00 C ATOM 508 C TYR A 33 20.715 24.736 35.931 1.00 0.00 C ATOM 509 O TYR A 33 20.496 25.945 36.049 1.00 0.00 O ATOM 510 CB TYR A 33 23.187 25.184 35.316 1.00 0.00 C ATOM 511 CG TYR A 33 24.655 24.762 35.382 1.00 0.00 C ATOM 512 CD1 TYR A 33 25.178 24.145 36.537 1.00 0.00 C ATOM 513 CD2 TYR A 33 25.519 25.037 34.302 1.00 0.00 C ATOM 514 CE1 TYR A 33 26.538 23.784 36.603 1.00 0.00 C ATOM 515 CE2 TYR A 33 26.891 24.714 34.379 1.00 0.00 C ATOM 516 CZ TYR A 33 27.405 24.086 35.536 1.00 0.00 C ATOM 517 OH TYR A 33 28.729 23.797 35.653 1.00 0.00 O ATOM 0 H TYR A 33 22.032 22.961 34.192 1.00 0.00 H new ATOM 0 HA TYR A 33 22.376 24.020 36.936 1.00 0.00 H new ATOM 0 HB2 TYR A 33 22.935 25.379 34.274 1.00 0.00 H new ATOM 0 HB3 TYR A 33 23.079 26.127 35.852 1.00 0.00 H new ATOM 0 HD1 TYR A 33 24.530 23.947 37.378 1.00 0.00 H new ATOM 0 HD2 TYR A 33 25.127 25.499 33.408 1.00 0.00 H new ATOM 0 HE1 TYR A 33 26.917 23.273 37.476 1.00 0.00 H new ATOM 0 HE2 TYR A 33 27.548 24.947 33.554 1.00 0.00 H new ATOM 0 HH TYR A 33 29.185 24.007 34.811 1.00 0.00 H new ATOM 527 N GLY A 34 19.723 23.841 35.882 1.00 0.00 N ATOM 528 CA GLY A 34 18.297 24.158 36.021 1.00 0.00 C ATOM 529 C GLY A 34 17.609 24.589 34.720 1.00 0.00 C ATOM 530 O GLY A 34 18.266 24.952 33.743 1.00 0.00 O ATOM 0 H GLY A 34 19.895 22.846 35.740 1.00 0.00 H new ATOM 0 HA2 GLY A 34 17.781 23.283 36.417 1.00 0.00 H new ATOM 0 HA3 GLY A 34 18.185 24.954 36.757 1.00 0.00 H new ATOM 534 N LYS A 35 16.270 24.544 34.713 1.00 0.00 N ATOM 535 CA LYS A 35 15.386 24.705 33.533 1.00 0.00 C ATOM 536 C LYS A 35 15.642 25.963 32.675 1.00 0.00 C ATOM 537 O LYS A 35 15.269 25.988 31.501 1.00 0.00 O ATOM 538 CB LYS A 35 13.917 24.659 34.024 1.00 0.00 C ATOM 539 CG LYS A 35 13.445 26.013 34.588 1.00 0.00 C ATOM 540 CD LYS A 35 12.451 25.945 35.758 1.00 0.00 C ATOM 541 CE LYS A 35 12.108 27.347 36.303 1.00 0.00 C ATOM 542 NZ LYS A 35 13.327 28.130 36.626 1.00 0.00 N ATOM 0 H LYS A 35 15.740 24.387 35.570 1.00 0.00 H new ATOM 0 HA LYS A 35 15.613 23.882 32.855 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.269 24.367 33.197 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.817 23.893 34.793 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.321 26.574 34.913 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.985 26.581 33.779 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.537 25.449 35.430 1.00 0.00 H new ATOM 0 HD3 LYS A 35 12.873 25.338 36.558 1.00 0.00 H new ATOM 0 HE2 LYS A 35 11.514 27.888 35.566 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.493 27.248 37.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.059 28.992 37.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 13.962 27.556 37.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.815 28.392 35.746 1.00 0.00 H new ATOM 556 N SER A 36 16.247 27.007 33.248 1.00 0.00 N ATOM 557 CA SER A 36 16.314 28.368 32.701 1.00 0.00 C ATOM 558 C SER A 36 17.729 28.817 32.308 1.00 0.00 C ATOM 559 O SER A 36 17.887 29.937 31.822 1.00 0.00 O ATOM 560 CB SER A 36 15.699 29.347 33.712 1.00 0.00 C ATOM 561 OG SER A 36 14.341 29.022 33.973 1.00 0.00 O ATOM 0 H SER A 36 16.725 26.925 34.145 1.00 0.00 H new ATOM 0 HA SER A 36 15.744 28.364 31.772 1.00 0.00 H new ATOM 0 HB2 SER A 36 16.268 29.321 34.641 1.00 0.00 H new ATOM 0 HB3 SER A 36 15.766 30.364 33.326 1.00 0.00 H new ATOM 0 HG SER A 36 13.926 29.743 34.491 1.00 0.00 H new ATOM 567 N SER A 37 18.758 27.978 32.472 1.00 0.00 N ATOM 568 CA SER A 37 20.136 28.329 32.093 1.00 0.00 C ATOM 569 C SER A 37 20.308 28.426 30.566 1.00 0.00 C ATOM 570 O SER A 37 19.816 27.576 29.811 1.00 0.00 O ATOM 571 CB SER A 37 21.129 27.348 32.724 1.00 0.00 C ATOM 572 OG SER A 37 22.468 27.696 32.424 1.00 0.00 O ATOM 0 H SER A 37 18.663 27.043 32.868 1.00 0.00 H new ATOM 0 HA SER A 37 20.351 29.323 32.486 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.990 27.334 33.805 1.00 0.00 H new ATOM 0 HB3 SER A 37 20.925 26.340 32.363 1.00 0.00 H new ATOM 0 HG SER A 37 22.543 28.670 32.347 1.00 0.00 H new ATOM 578 N GLY A 38 20.987 29.480 30.108 1.00 0.00 N ATOM 579 CA GLY A 38 21.401 29.692 28.716 1.00 0.00 C ATOM 580 C GLY A 38 22.836 29.222 28.459 1.00 0.00 C ATOM 581 O GLY A 38 23.459 28.617 29.330 1.00 0.00 O ATOM 0 H GLY A 38 21.276 30.242 30.721 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.722 29.158 28.052 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.319 30.751 28.472 1.00 0.00 H new ATOM 585 N GLY A 39 23.387 29.517 27.278 1.00 0.00 N ATOM 586 CA GLY A 39 24.801 29.249 26.993 1.00 0.00 C ATOM 587 C GLY A 39 25.224 29.411 25.532 1.00 0.00 C ATOM 588 O GLY A 39 24.381 29.475 24.632 1.00 0.00 O ATOM 0 H GLY A 39 22.876 29.941 26.504 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.409 29.916 27.604 1.00 0.00 H new ATOM 0 HA3 GLY A 39 25.030 28.231 27.308 1.00 0.00 H new ATOM 592 N TYR A 40 26.543 29.444 25.301 1.00 0.00 N ATOM 593 CA TYR A 40 27.167 29.529 23.975 1.00 0.00 C ATOM 594 C TYR A 40 28.529 28.819 23.883 1.00 0.00 C ATOM 595 O TYR A 40 29.181 28.536 24.887 1.00 0.00 O ATOM 596 CB TYR A 40 27.258 30.997 23.521 1.00 0.00 C ATOM 597 CG TYR A 40 28.398 31.850 24.051 1.00 0.00 C ATOM 598 CD1 TYR A 40 28.240 32.568 25.252 1.00 0.00 C ATOM 599 CD2 TYR A 40 29.559 32.037 23.273 1.00 0.00 C ATOM 600 CE1 TYR A 40 29.225 33.493 25.654 1.00 0.00 C ATOM 601 CE2 TYR A 40 30.542 32.966 23.667 1.00 0.00 C ATOM 602 CZ TYR A 40 30.366 33.713 24.852 1.00 0.00 C ATOM 603 OH TYR A 40 31.278 34.657 25.220 1.00 0.00 O ATOM 0 H TYR A 40 27.227 29.411 26.057 1.00 0.00 H new ATOM 0 HA TYR A 40 26.517 28.986 23.289 1.00 0.00 H new ATOM 0 HB2 TYR A 40 27.317 31.004 22.433 1.00 0.00 H new ATOM 0 HB3 TYR A 40 26.323 31.487 23.793 1.00 0.00 H new ATOM 0 HD1 TYR A 40 27.365 32.410 25.865 1.00 0.00 H new ATOM 0 HD2 TYR A 40 29.696 31.464 22.368 1.00 0.00 H new ATOM 0 HE1 TYR A 40 29.106 34.036 26.580 1.00 0.00 H new ATOM 0 HE2 TYR A 40 31.427 33.106 23.065 1.00 0.00 H new ATOM 0 HH TYR A 40 32.004 34.684 24.563 1.00 0.00 H new ATOM 613 N CYS A 41 28.964 28.522 22.659 1.00 0.00 N ATOM 614 CA CYS A 41 30.235 27.870 22.346 1.00 0.00 C ATOM 615 C CYS A 41 31.385 28.886 22.444 1.00 0.00 C ATOM 616 O CYS A 41 31.604 29.662 21.514 1.00 0.00 O ATOM 617 CB CYS A 41 30.107 27.260 20.944 1.00 0.00 C ATOM 618 SG CYS A 41 28.763 26.055 20.798 1.00 0.00 S ATOM 0 H CYS A 41 28.418 28.738 21.825 1.00 0.00 H new ATOM 0 HA CYS A 41 30.464 27.077 23.058 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.946 28.060 20.222 1.00 0.00 H new ATOM 0 HB3 CYS A 41 31.048 26.777 20.680 1.00 0.00 H new ATOM 623 N TYR A 42 32.086 28.911 23.583 1.00 0.00 N ATOM 624 CA TYR A 42 32.946 30.037 23.979 1.00 0.00 C ATOM 625 C TYR A 42 34.289 30.112 23.232 1.00 0.00 C ATOM 626 O TYR A 42 34.544 31.083 22.516 1.00 0.00 O ATOM 627 CB TYR A 42 33.134 30.011 25.504 1.00 0.00 C ATOM 628 CG TYR A 42 34.163 31.006 26.001 1.00 0.00 C ATOM 629 CD1 TYR A 42 33.920 32.381 25.837 1.00 0.00 C ATOM 630 CD2 TYR A 42 35.388 30.564 26.540 1.00 0.00 C ATOM 631 CE1 TYR A 42 34.905 33.321 26.186 1.00 0.00 C ATOM 632 CE2 TYR A 42 36.380 31.501 26.886 1.00 0.00 C ATOM 633 CZ TYR A 42 36.144 32.880 26.698 1.00 0.00 C ATOM 634 OH TYR A 42 37.116 33.781 26.983 1.00 0.00 O ATOM 0 H TYR A 42 32.074 28.149 24.260 1.00 0.00 H new ATOM 0 HA TYR A 42 32.434 30.952 23.682 1.00 0.00 H new ATOM 0 HB2 TYR A 42 32.178 30.218 25.984 1.00 0.00 H new ATOM 0 HB3 TYR A 42 33.433 29.008 25.809 1.00 0.00 H new ATOM 0 HD1 TYR A 42 32.973 32.716 25.441 1.00 0.00 H new ATOM 0 HD2 TYR A 42 35.565 29.509 26.687 1.00 0.00 H new ATOM 0 HE1 TYR A 42 34.714 34.377 26.063 1.00 0.00 H new ATOM 0 HE2 TYR A 42 37.321 31.165 27.295 1.00 0.00 H new ATOM 0 HH TYR A 42 37.905 33.313 27.328 1.00 0.00 H new ATOM 644 N ALA A 43 35.139 29.094 23.397 1.00 0.00 N ATOM 645 CA ALA A 43 36.466 28.997 22.776 1.00 0.00 C ATOM 646 C ALA A 43 36.613 27.710 21.942 1.00 0.00 C ATOM 647 O ALA A 43 37.255 27.719 20.889 1.00 0.00 O ATOM 648 CB ALA A 43 37.519 29.085 23.888 1.00 0.00 C ATOM 0 H ALA A 43 34.917 28.290 23.984 1.00 0.00 H new ATOM 0 HA ALA A 43 36.607 29.820 22.075 1.00 0.00 H new ATOM 0 HB1 ALA A 43 38.515 29.015 23.452 1.00 0.00 H new ATOM 0 HB2 ALA A 43 37.417 30.036 24.411 1.00 0.00 H new ATOM 0 HB3 ALA A 43 37.373 28.266 24.593 1.00 0.00 H new ATOM 654 N PHE A 44 35.987 26.618 22.390 1.00 0.00 N ATOM 655 CA PHE A 44 35.905 25.330 21.688 1.00 0.00 C ATOM 656 C PHE A 44 34.544 24.638 21.909 1.00 0.00 C ATOM 657 O PHE A 44 33.957 24.116 20.959 1.00 0.00 O ATOM 658 CB PHE A 44 37.042 24.409 22.170 1.00 0.00 C ATOM 659 CG PHE A 44 38.454 24.963 22.044 1.00 0.00 C ATOM 660 CD1 PHE A 44 39.135 24.906 20.811 1.00 0.00 C ATOM 661 CD2 PHE A 44 39.099 25.521 23.166 1.00 0.00 C ATOM 662 CE1 PHE A 44 40.450 25.395 20.706 1.00 0.00 C ATOM 663 CE2 PHE A 44 40.416 26.009 23.060 1.00 0.00 C ATOM 664 CZ PHE A 44 41.096 25.938 21.831 1.00 0.00 C ATOM 0 H PHE A 44 35.503 26.605 23.288 1.00 0.00 H new ATOM 0 HA PHE A 44 36.006 25.524 20.620 1.00 0.00 H new ATOM 0 HB2 PHE A 44 36.863 24.162 23.216 1.00 0.00 H new ATOM 0 HB3 PHE A 44 36.989 23.476 21.609 1.00 0.00 H new ATOM 0 HD1 PHE A 44 38.646 24.486 19.945 1.00 0.00 H new ATOM 0 HD2 PHE A 44 38.581 25.575 24.112 1.00 0.00 H new ATOM 0 HE1 PHE A 44 40.965 25.353 19.758 1.00 0.00 H new ATOM 0 HE2 PHE A 44 40.904 26.438 23.923 1.00 0.00 H new ATOM 0 HZ PHE A 44 42.111 26.299 21.751 1.00 0.00 H new ATOM 674 N ALA A 45 34.052 24.667 23.152 1.00 0.00 N ATOM 675 CA ALA A 45 32.893 23.942 23.689 1.00 0.00 C ATOM 676 C ALA A 45 31.980 24.855 24.552 1.00 0.00 C ATOM 677 O ALA A 45 32.317 26.019 24.804 1.00 0.00 O ATOM 678 CB ALA A 45 33.454 22.760 24.499 1.00 0.00 C ATOM 0 H ALA A 45 34.490 25.246 23.869 1.00 0.00 H new ATOM 0 HA ALA A 45 32.254 23.588 22.880 1.00 0.00 H new ATOM 0 HB1 ALA A 45 32.630 22.185 24.922 1.00 0.00 H new ATOM 0 HB2 ALA A 45 34.045 22.119 23.845 1.00 0.00 H new ATOM 0 HB3 ALA A 45 34.084 23.137 25.304 1.00 0.00 H new ATOM 684 N CYS A 46 30.830 24.346 25.002 1.00 0.00 N ATOM 685 CA CYS A 46 29.792 25.117 25.698 1.00 0.00 C ATOM 686 C CYS A 46 30.207 25.761 27.044 1.00 0.00 C ATOM 687 O CYS A 46 30.763 25.117 27.934 1.00 0.00 O ATOM 688 CB CYS A 46 28.567 24.217 25.910 1.00 0.00 C ATOM 689 SG CYS A 46 27.604 23.816 24.425 1.00 0.00 S ATOM 0 H CYS A 46 30.587 23.362 24.890 1.00 0.00 H new ATOM 0 HA CYS A 46 29.577 25.965 25.048 1.00 0.00 H new ATOM 0 HB2 CYS A 46 28.901 23.284 26.364 1.00 0.00 H new ATOM 0 HB3 CYS A 46 27.905 24.702 26.628 1.00 0.00 H new ATOM 694 N TRP A 47 29.813 27.025 27.210 1.00 0.00 N ATOM 695 CA TRP A 47 29.807 27.843 28.433 1.00 0.00 C ATOM 696 C TRP A 47 28.359 28.265 28.732 1.00 0.00 C ATOM 697 O TRP A 47 27.599 28.515 27.796 1.00 0.00 O ATOM 698 CB TRP A 47 30.709 29.060 28.182 1.00 0.00 C ATOM 699 CG TRP A 47 30.662 30.192 29.166 1.00 0.00 C ATOM 700 CD1 TRP A 47 29.876 31.288 29.049 1.00 0.00 C ATOM 701 CD2 TRP A 47 31.448 30.397 30.383 1.00 0.00 C ATOM 702 NE1 TRP A 47 30.126 32.160 30.091 1.00 0.00 N ATOM 703 CE2 TRP A 47 31.094 31.662 30.941 1.00 0.00 C ATOM 704 CE3 TRP A 47 32.435 29.650 31.065 1.00 0.00 C ATOM 705 CZ2 TRP A 47 31.690 32.160 32.109 1.00 0.00 C ATOM 706 CZ3 TRP A 47 33.020 30.127 32.255 1.00 0.00 C ATOM 707 CH2 TRP A 47 32.646 31.378 32.778 1.00 0.00 C ATOM 0 H TRP A 47 29.455 27.557 26.417 1.00 0.00 H new ATOM 0 HA TRP A 47 30.184 27.293 29.295 1.00 0.00 H new ATOM 0 HB2 TRP A 47 31.739 28.706 28.130 1.00 0.00 H new ATOM 0 HB3 TRP A 47 30.460 29.462 27.200 1.00 0.00 H new ATOM 0 HD1 TRP A 47 29.160 31.456 28.258 1.00 0.00 H new ATOM 0 HE1 TRP A 47 29.656 33.057 30.216 1.00 0.00 H new ATOM 0 HE3 TRP A 47 32.747 28.696 30.667 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 31.417 33.133 32.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 33.759 29.529 32.768 1.00 0.00 H new ATOM 0 HH2 TRP A 47 33.093 31.737 33.693 1.00 0.00 H new ATOM 718 N CYS A 48 27.959 28.338 30.005 1.00 0.00 N ATOM 719 CA CYS A 48 26.562 28.508 30.423 1.00 0.00 C ATOM 720 C CYS A 48 26.294 29.851 31.124 1.00 0.00 C ATOM 721 O CYS A 48 27.148 30.387 31.832 1.00 0.00 O ATOM 722 CB CYS A 48 26.142 27.334 31.314 1.00 0.00 C ATOM 723 SG CYS A 48 26.293 25.691 30.559 1.00 0.00 S ATOM 0 H CYS A 48 28.608 28.280 30.789 1.00 0.00 H new ATOM 0 HA CYS A 48 25.956 28.519 29.517 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.745 27.355 32.222 1.00 0.00 H new ATOM 0 HB3 CYS A 48 25.105 27.482 31.617 1.00 0.00 H new ATOM 728 N THR A 49 25.075 30.364 30.955 1.00 0.00 N ATOM 729 CA THR A 49 24.600 31.675 31.432 1.00 0.00 C ATOM 730 C THR A 49 23.249 31.554 32.153 1.00 0.00 C ATOM 731 O THR A 49 22.686 30.456 32.256 1.00 0.00 O ATOM 732 CB THR A 49 24.500 32.679 30.263 1.00 0.00 C ATOM 733 OG1 THR A 49 23.528 32.268 29.330 1.00 0.00 O ATOM 734 CG2 THR A 49 25.816 32.836 29.495 1.00 0.00 C ATOM 0 H THR A 49 24.348 29.852 30.455 1.00 0.00 H new ATOM 0 HA THR A 49 25.330 32.049 32.150 1.00 0.00 H new ATOM 0 HB THR A 49 24.235 33.630 30.724 1.00 0.00 H new ATOM 0 HG1 THR A 49 23.480 32.919 28.599 1.00 0.00 H new ATOM 0 HG21 THR A 49 25.682 33.554 28.686 1.00 0.00 H new ATOM 0 HG22 THR A 49 26.592 33.193 30.172 1.00 0.00 H new ATOM 0 HG23 THR A 49 26.112 31.873 29.079 1.00 0.00 H new ATOM 742 N HIS A 50 22.713 32.668 32.664 1.00 0.00 N ATOM 743 CA HIS A 50 21.406 32.757 33.336 1.00 0.00 C ATOM 744 C HIS A 50 21.258 31.782 34.519 1.00 0.00 C ATOM 745 O HIS A 50 20.230 31.123 34.678 1.00 0.00 O ATOM 746 CB HIS A 50 20.248 32.662 32.320 1.00 0.00 C ATOM 747 CG HIS A 50 20.365 33.580 31.127 1.00 0.00 C ATOM 748 ND1 HIS A 50 20.681 34.941 31.166 1.00 0.00 N ATOM 749 CD2 HIS A 50 20.178 33.207 29.828 1.00 0.00 C ATOM 750 CE1 HIS A 50 20.700 35.345 29.883 1.00 0.00 C ATOM 751 NE2 HIS A 50 20.395 34.327 29.059 1.00 0.00 N ATOM 0 H HIS A 50 23.193 33.567 32.621 1.00 0.00 H new ATOM 0 HA HIS A 50 21.352 33.746 33.790 1.00 0.00 H new ATOM 0 HB2 HIS A 50 20.182 31.634 31.963 1.00 0.00 H new ATOM 0 HB3 HIS A 50 19.313 32.880 32.837 1.00 0.00 H new ATOM 0 HD2 HIS A 50 19.911 32.223 29.472 1.00 0.00 H new ATOM 0 HE1 HIS A 50 20.929 36.350 29.559 1.00 0.00 H new ATOM 0 HE2 HIS A 50 20.335 34.377 28.042 1.00 0.00 H new ATOM 759 N LEU A 51 22.296 31.653 35.348 1.00 0.00 N ATOM 760 CA LEU A 51 22.284 30.794 36.541 1.00 0.00 C ATOM 761 C LEU A 51 21.403 31.362 37.676 1.00 0.00 C ATOM 762 O LEU A 51 21.057 32.551 37.692 1.00 0.00 O ATOM 763 CB LEU A 51 23.729 30.568 37.027 1.00 0.00 C ATOM 764 CG LEU A 51 24.686 29.906 36.016 1.00 0.00 C ATOM 765 CD1 LEU A 51 26.090 29.867 36.618 1.00 0.00 C ATOM 766 CD2 LEU A 51 24.280 28.477 35.690 1.00 0.00 C ATOM 0 H LEU A 51 23.179 32.145 35.211 1.00 0.00 H new ATOM 0 HA LEU A 51 21.839 29.840 36.258 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.149 31.531 37.317 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.697 29.951 37.925 1.00 0.00 H new ATOM 0 HG LEU A 51 24.652 30.494 35.099 1.00 0.00 H new ATOM 0 HD11 LEU A 51 26.776 29.400 35.911 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.423 30.883 36.830 1.00 0.00 H new ATOM 0 HD13 LEU A 51 26.074 29.290 37.543 1.00 0.00 H new ATOM 0 HD21 LEU A 51 24.984 28.053 34.974 1.00 0.00 H new ATOM 0 HD22 LEU A 51 24.286 27.880 36.602 1.00 0.00 H new ATOM 0 HD23 LEU A 51 23.278 28.472 35.260 1.00 0.00 H new ATOM 778 N TYR A 52 21.070 30.510 38.647 1.00 0.00 N ATOM 779 CA TYR A 52 20.464 30.884 39.932 1.00 0.00 C ATOM 780 C TYR A 52 21.442 31.673 40.830 1.00 0.00 C ATOM 781 O TYR A 52 22.661 31.585 40.668 1.00 0.00 O ATOM 782 CB TYR A 52 19.994 29.591 40.615 1.00 0.00 C ATOM 783 CG TYR A 52 19.318 29.758 41.962 1.00 0.00 C ATOM 784 CD1 TYR A 52 18.128 30.500 42.071 1.00 0.00 C ATOM 785 CD2 TYR A 52 19.859 29.135 43.102 1.00 0.00 C ATOM 786 CE1 TYR A 52 17.469 30.598 43.311 1.00 0.00 C ATOM 787 CE2 TYR A 52 19.205 29.232 44.345 1.00 0.00 C ATOM 788 CZ TYR A 52 17.999 29.953 44.451 1.00 0.00 C ATOM 789 OH TYR A 52 17.339 29.992 45.640 1.00 0.00 O ATOM 0 H TYR A 52 21.219 29.505 38.560 1.00 0.00 H new ATOM 0 HA TYR A 52 19.620 31.552 39.759 1.00 0.00 H new ATOM 0 HB2 TYR A 52 19.303 29.080 39.945 1.00 0.00 H new ATOM 0 HB3 TYR A 52 20.856 28.937 40.742 1.00 0.00 H new ATOM 0 HD1 TYR A 52 17.719 30.995 41.202 1.00 0.00 H new ATOM 0 HD2 TYR A 52 20.782 28.579 43.023 1.00 0.00 H new ATOM 0 HE1 TYR A 52 16.555 31.168 43.391 1.00 0.00 H new ATOM 0 HE2 TYR A 52 19.627 28.754 45.217 1.00 0.00 H new ATOM 0 HH TYR A 52 17.848 29.494 46.313 1.00 0.00 H new ATOM 799 N GLU A 53 20.926 32.432 41.808 1.00 0.00 N ATOM 800 CA GLU A 53 21.751 33.297 42.675 1.00 0.00 C ATOM 801 C GLU A 53 22.590 32.552 43.732 1.00 0.00 C ATOM 802 O GLU A 53 23.539 33.125 44.268 1.00 0.00 O ATOM 803 CB GLU A 53 20.903 34.395 43.345 1.00 0.00 C ATOM 804 CG GLU A 53 19.904 33.873 44.400 1.00 0.00 C ATOM 805 CD GLU A 53 19.419 34.952 45.384 1.00 0.00 C ATOM 806 OE1 GLU A 53 20.122 35.971 45.600 1.00 0.00 O ATOM 807 OE2 GLU A 53 18.333 34.764 45.986 1.00 0.00 O ATOM 0 H GLU A 53 19.929 32.466 42.022 1.00 0.00 H new ATOM 0 HA GLU A 53 22.471 33.751 41.995 1.00 0.00 H new ATOM 0 HB2 GLU A 53 21.571 35.115 43.819 1.00 0.00 H new ATOM 0 HB3 GLU A 53 20.351 34.932 42.574 1.00 0.00 H new ATOM 0 HG2 GLU A 53 19.041 33.446 43.889 1.00 0.00 H new ATOM 0 HG3 GLU A 53 20.373 33.066 44.963 1.00 0.00 H new ATOM 814 N GLN A 54 22.261 31.295 44.045 1.00 0.00 N ATOM 815 CA GLN A 54 22.983 30.453 45.010 1.00 0.00 C ATOM 816 C GLN A 54 23.120 29.019 44.463 1.00 0.00 C ATOM 817 O GLN A 54 22.455 28.095 44.930 1.00 0.00 O ATOM 818 CB GLN A 54 22.280 30.512 46.387 1.00 0.00 C ATOM 819 CG GLN A 54 22.324 31.869 47.120 1.00 0.00 C ATOM 820 CD GLN A 54 23.696 32.226 47.682 1.00 0.00 C ATOM 821 OE1 GLN A 54 23.941 32.172 48.881 1.00 0.00 O ATOM 822 NE2 GLN A 54 24.633 32.635 46.859 1.00 0.00 N ATOM 0 H GLN A 54 21.463 30.820 43.623 1.00 0.00 H new ATOM 0 HA GLN A 54 23.995 30.831 45.153 1.00 0.00 H new ATOM 0 HB2 GLN A 54 21.236 30.231 46.250 1.00 0.00 H new ATOM 0 HB3 GLN A 54 22.731 29.759 47.034 1.00 0.00 H new ATOM 0 HG2 GLN A 54 22.010 32.653 46.431 1.00 0.00 H new ATOM 0 HG3 GLN A 54 21.601 31.853 47.936 1.00 0.00 H new ATOM 0 HE21 GLN A 54 24.446 32.686 45.858 1.00 0.00 H new ATOM 0 HE22 GLN A 54 25.549 32.902 47.221 1.00 0.00 H new ATOM 831 N ALA A 55 23.941 28.842 43.424 1.00 0.00 N ATOM 832 CA ALA A 55 24.249 27.545 42.814 1.00 0.00 C ATOM 833 C ALA A 55 25.736 27.423 42.434 1.00 0.00 C ATOM 834 O ALA A 55 26.292 28.293 41.755 1.00 0.00 O ATOM 835 CB ALA A 55 23.345 27.330 41.591 1.00 0.00 C ATOM 0 H ALA A 55 24.423 29.618 42.971 1.00 0.00 H new ATOM 0 HA ALA A 55 24.053 26.765 43.549 1.00 0.00 H new ATOM 0 HB1 ALA A 55 23.572 26.366 41.136 1.00 0.00 H new ATOM 0 HB2 ALA A 55 22.301 27.347 41.903 1.00 0.00 H new ATOM 0 HB3 ALA A 55 23.520 28.124 40.865 1.00 0.00 H new ATOM 841 N VAL A 56 26.366 26.313 42.837 1.00 0.00 N ATOM 842 CA VAL A 56 27.787 26.029 42.580 1.00 0.00 C ATOM 843 C VAL A 56 28.011 25.366 41.217 1.00 0.00 C ATOM 844 O VAL A 56 27.287 24.433 40.842 1.00 0.00 O ATOM 845 CB VAL A 56 28.419 25.258 43.756 1.00 0.00 C ATOM 846 CG1 VAL A 56 27.889 23.827 43.923 1.00 0.00 C ATOM 847 CG2 VAL A 56 29.947 25.223 43.646 1.00 0.00 C ATOM 0 H VAL A 56 25.897 25.573 43.360 1.00 0.00 H new ATOM 0 HA VAL A 56 28.314 26.981 42.518 1.00 0.00 H new ATOM 0 HB VAL A 56 28.123 25.815 44.645 1.00 0.00 H new ATOM 0 HG11 VAL A 56 28.383 23.353 44.771 1.00 0.00 H new ATOM 0 HG12 VAL A 56 26.814 23.855 44.099 1.00 0.00 H new ATOM 0 HG13 VAL A 56 28.093 23.255 43.018 1.00 0.00 H new ATOM 0 HG21 VAL A 56 30.360 24.672 44.491 1.00 0.00 H new ATOM 0 HG22 VAL A 56 30.234 24.731 42.717 1.00 0.00 H new ATOM 0 HG23 VAL A 56 30.336 26.241 43.652 1.00 0.00 H new ATOM 857 N VAL A 57 29.003 25.868 40.471 1.00 0.00 N ATOM 858 CA VAL A 57 29.290 25.498 39.070 1.00 0.00 C ATOM 859 C VAL A 57 30.792 25.341 38.795 1.00 0.00 C ATOM 860 O VAL A 57 31.639 25.825 39.553 1.00 0.00 O ATOM 861 CB VAL A 57 28.668 26.512 38.084 1.00 0.00 C ATOM 862 CG1 VAL A 57 27.155 26.661 38.288 1.00 0.00 C ATOM 863 CG2 VAL A 57 29.300 27.902 38.178 1.00 0.00 C ATOM 0 H VAL A 57 29.652 26.566 40.833 1.00 0.00 H new ATOM 0 HA VAL A 57 28.828 24.524 38.911 1.00 0.00 H new ATOM 0 HB VAL A 57 28.870 26.097 37.096 1.00 0.00 H new ATOM 0 HG11 VAL A 57 26.761 27.384 37.573 1.00 0.00 H new ATOM 0 HG12 VAL A 57 26.670 25.697 38.134 1.00 0.00 H new ATOM 0 HG13 VAL A 57 26.957 27.009 39.302 1.00 0.00 H new ATOM 0 HG21 VAL A 57 28.821 28.569 37.461 1.00 0.00 H new ATOM 0 HG22 VAL A 57 29.166 28.295 39.186 1.00 0.00 H new ATOM 0 HG23 VAL A 57 30.365 27.834 37.954 1.00 0.00 H new ATOM 873 N TRP A 58 31.139 24.658 37.700 1.00 0.00 N ATOM 874 CA TRP A 58 32.525 24.336 37.347 1.00 0.00 C ATOM 875 C TRP A 58 33.261 25.463 36.585 1.00 0.00 C ATOM 876 O TRP A 58 32.627 26.223 35.846 1.00 0.00 O ATOM 877 CB TRP A 58 32.557 22.989 36.609 1.00 0.00 C ATOM 878 CG TRP A 58 32.673 21.816 37.537 1.00 0.00 C ATOM 879 CD1 TRP A 58 31.745 21.430 38.442 1.00 0.00 C ATOM 880 CD2 TRP A 58 33.821 20.934 37.750 1.00 0.00 C ATOM 881 NE1 TRP A 58 32.243 20.393 39.204 1.00 0.00 N ATOM 882 CE2 TRP A 58 33.522 20.056 38.835 1.00 0.00 C ATOM 883 CE3 TRP A 58 35.101 20.809 37.169 1.00 0.00 C ATOM 884 CZ2 TRP A 58 34.444 19.124 39.332 1.00 0.00 C ATOM 885 CZ3 TRP A 58 36.037 19.877 37.658 1.00 0.00 C ATOM 886 CH2 TRP A 58 35.715 19.039 38.741 1.00 0.00 C ATOM 0 H TRP A 58 30.458 24.309 37.026 1.00 0.00 H new ATOM 0 HA TRP A 58 33.093 24.246 38.273 1.00 0.00 H new ATOM 0 HB2 TRP A 58 31.650 22.886 36.013 1.00 0.00 H new ATOM 0 HB3 TRP A 58 33.397 22.981 35.915 1.00 0.00 H new ATOM 0 HD1 TRP A 58 30.763 21.867 38.552 1.00 0.00 H new ATOM 0 HE1 TRP A 58 31.724 19.932 39.951 1.00 0.00 H new ATOM 0 HE3 TRP A 58 35.368 21.440 36.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 34.180 18.480 40.158 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 37.011 19.805 37.197 1.00 0.00 H new ATOM 0 HH2 TRP A 58 36.442 18.334 39.116 1.00 0.00 H new ATOM 897 N PRO A 59 34.597 25.586 36.746 1.00 0.00 N ATOM 898 CA PRO A 59 35.414 26.603 36.081 1.00 0.00 C ATOM 899 C PRO A 59 35.891 26.182 34.677 1.00 0.00 C ATOM 900 O PRO A 59 35.910 24.998 34.334 1.00 0.00 O ATOM 901 CB PRO A 59 36.597 26.824 37.029 1.00 0.00 C ATOM 902 CG PRO A 59 36.831 25.424 37.595 1.00 0.00 C ATOM 903 CD PRO A 59 35.415 24.859 37.715 1.00 0.00 C ATOM 0 HA PRO A 59 34.837 27.510 35.902 1.00 0.00 H new ATOM 0 HB2 PRO A 59 37.474 27.201 36.503 1.00 0.00 H new ATOM 0 HB3 PRO A 59 36.361 27.544 37.812 1.00 0.00 H new ATOM 0 HG2 PRO A 59 37.452 24.820 36.933 1.00 0.00 H new ATOM 0 HG3 PRO A 59 37.335 25.458 38.561 1.00 0.00 H new ATOM 0 HD2 PRO A 59 35.405 23.789 37.507 1.00 0.00 H new ATOM 0 HD3 PRO A 59 35.029 24.991 38.726 1.00 0.00 H new ATOM 911 N LEU A 60 36.339 27.155 33.877 1.00 0.00 N ATOM 912 CA LEU A 60 36.916 26.953 32.541 1.00 0.00 C ATOM 913 C LEU A 60 38.274 26.204 32.604 1.00 0.00 C ATOM 914 O LEU A 60 39.192 26.692 33.277 1.00 0.00 O ATOM 915 CB LEU A 60 37.073 28.342 31.882 1.00 0.00 C ATOM 916 CG LEU A 60 37.649 28.336 30.451 1.00 0.00 C ATOM 917 CD1 LEU A 60 36.662 27.776 29.426 1.00 0.00 C ATOM 918 CD2 LEU A 60 37.998 29.758 30.015 1.00 0.00 C ATOM 0 H LEU A 60 36.310 28.138 34.149 1.00 0.00 H new ATOM 0 HA LEU A 60 36.253 26.324 31.947 1.00 0.00 H new ATOM 0 HB2 LEU A 60 36.097 28.827 31.860 1.00 0.00 H new ATOM 0 HB3 LEU A 60 37.719 28.953 32.512 1.00 0.00 H new ATOM 0 HG LEU A 60 38.534 27.700 30.482 1.00 0.00 H new ATOM 0 HD11 LEU A 60 37.117 27.794 28.436 1.00 0.00 H new ATOM 0 HD12 LEU A 60 36.407 26.750 29.690 1.00 0.00 H new ATOM 0 HD13 LEU A 60 35.758 28.385 29.421 1.00 0.00 H new ATOM 0 HD21 LEU A 60 38.403 29.739 29.003 1.00 0.00 H new ATOM 0 HD22 LEU A 60 37.100 30.375 30.035 1.00 0.00 H new ATOM 0 HD23 LEU A 60 38.740 30.175 30.696 1.00 0.00 H new ATOM 930 N PRO A 61 38.458 25.073 31.889 1.00 0.00 N ATOM 931 CA PRO A 61 39.743 24.379 31.761 1.00 0.00 C ATOM 932 C PRO A 61 40.610 24.928 30.608 1.00 0.00 C ATOM 933 O PRO A 61 40.100 25.552 29.670 1.00 0.00 O ATOM 934 CB PRO A 61 39.364 22.914 31.533 1.00 0.00 C ATOM 935 CG PRO A 61 38.068 23.007 30.733 1.00 0.00 C ATOM 936 CD PRO A 61 37.404 24.268 31.283 1.00 0.00 C ATOM 0 HA PRO A 61 40.360 24.520 32.648 1.00 0.00 H new ATOM 0 HB2 PRO A 61 40.138 22.379 30.983 1.00 0.00 H new ATOM 0 HB3 PRO A 61 39.218 22.385 32.475 1.00 0.00 H new ATOM 0 HG2 PRO A 61 38.261 23.088 29.663 1.00 0.00 H new ATOM 0 HG3 PRO A 61 37.442 22.127 30.878 1.00 0.00 H new ATOM 0 HD2 PRO A 61 36.906 24.821 30.486 1.00 0.00 H new ATOM 0 HD3 PRO A 61 36.642 24.013 32.019 1.00 0.00 H new ATOM 944 N ASN A 62 41.917 24.637 30.638 1.00 0.00 N ATOM 945 CA ASN A 62 42.874 24.979 29.572 1.00 0.00 C ATOM 946 C ASN A 62 43.471 23.752 28.851 1.00 0.00 C ATOM 947 O ASN A 62 43.794 23.843 27.663 1.00 0.00 O ATOM 948 CB ASN A 62 43.968 25.924 30.117 1.00 0.00 C ATOM 949 CG ASN A 62 45.035 25.225 30.943 1.00 0.00 C ATOM 950 OD1 ASN A 62 46.000 24.682 30.417 1.00 0.00 O ATOM 951 ND2 ASN A 62 44.876 25.181 32.242 1.00 0.00 N ATOM 0 H ASN A 62 42.350 24.146 31.420 1.00 0.00 H new ATOM 0 HA ASN A 62 42.311 25.505 28.801 1.00 0.00 H new ATOM 0 HB2 ASN A 62 44.446 26.431 29.279 1.00 0.00 H new ATOM 0 HB3 ASN A 62 43.497 26.694 30.728 1.00 0.00 H new ATOM 0 HD21 ASN A 62 45.557 24.693 32.823 1.00 0.00 H new ATOM 0 HD22 ASN A 62 44.071 25.635 32.673 1.00 0.00 H new ATOM 958 N LYS A 63 43.611 22.605 29.527 1.00 0.00 N ATOM 959 CA LYS A 63 44.177 21.362 28.970 1.00 0.00 C ATOM 960 C LYS A 63 43.164 20.659 28.059 1.00 0.00 C ATOM 961 O LYS A 63 41.954 20.795 28.263 1.00 0.00 O ATOM 962 CB LYS A 63 44.644 20.439 30.117 1.00 0.00 C ATOM 963 CG LYS A 63 45.777 21.056 30.960 1.00 0.00 C ATOM 964 CD LYS A 63 46.120 20.184 32.177 1.00 0.00 C ATOM 965 CE LYS A 63 47.237 20.823 33.012 1.00 0.00 C ATOM 966 NZ LYS A 63 47.442 20.113 34.299 1.00 0.00 N ATOM 0 H LYS A 63 43.328 22.509 30.502 1.00 0.00 H new ATOM 0 HA LYS A 63 45.043 21.611 28.356 1.00 0.00 H new ATOM 0 HB2 LYS A 63 43.796 20.216 30.765 1.00 0.00 H new ATOM 0 HB3 LYS A 63 44.984 19.492 29.699 1.00 0.00 H new ATOM 0 HG2 LYS A 63 46.665 21.181 30.340 1.00 0.00 H new ATOM 0 HG3 LYS A 63 45.481 22.050 31.296 1.00 0.00 H new ATOM 0 HD2 LYS A 63 45.232 20.048 32.794 1.00 0.00 H new ATOM 0 HD3 LYS A 63 46.431 19.194 31.844 1.00 0.00 H new ATOM 0 HE2 LYS A 63 48.166 20.816 32.442 1.00 0.00 H new ATOM 0 HE3 LYS A 63 46.992 21.867 33.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 48.205 20.576 34.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 46.564 20.141 34.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 47.701 19.123 34.112 1.00 0.00 H new ATOM 980 N THR A 64 43.623 19.908 27.058 1.00 0.00 N ATOM 981 CA THR A 64 42.744 19.128 26.168 1.00 0.00 C ATOM 982 C THR A 64 42.205 17.869 26.858 1.00 0.00 C ATOM 983 O THR A 64 42.817 17.370 27.808 1.00 0.00 O ATOM 984 CB THR A 64 43.457 18.779 24.854 1.00 0.00 C ATOM 985 OG1 THR A 64 44.676 18.104 25.071 1.00 0.00 O ATOM 986 CG2 THR A 64 43.764 20.029 24.029 1.00 0.00 C ATOM 0 H THR A 64 44.615 19.819 26.836 1.00 0.00 H new ATOM 0 HA THR A 64 41.886 19.756 25.929 1.00 0.00 H new ATOM 0 HB THR A 64 42.768 18.129 24.315 1.00 0.00 H new ATOM 0 HG1 THR A 64 45.095 17.900 24.209 1.00 0.00 H new ATOM 0 HG21 THR A 64 44.269 19.741 23.107 1.00 0.00 H new ATOM 0 HG22 THR A 64 42.834 20.544 23.788 1.00 0.00 H new ATOM 0 HG23 THR A 64 44.409 20.694 24.603 1.00 0.00 H new ATOM 994 N CYS A 65 41.062 17.346 26.406 1.00 0.00 N ATOM 995 CA CYS A 65 40.414 16.168 27.002 1.00 0.00 C ATOM 996 C CYS A 65 39.610 15.355 25.971 1.00 0.00 C ATOM 997 O CYS A 65 38.783 15.919 25.252 1.00 0.00 O ATOM 998 CB CYS A 65 39.495 16.643 28.138 1.00 0.00 C ATOM 999 SG CYS A 65 38.642 15.316 29.029 1.00 0.00 S ATOM 0 H CYS A 65 40.554 17.730 25.609 1.00 0.00 H new ATOM 0 HA CYS A 65 41.189 15.504 27.385 1.00 0.00 H new ATOM 0 HB2 CYS A 65 40.088 17.217 28.850 1.00 0.00 H new ATOM 0 HB3 CYS A 65 38.749 17.321 27.724 1.00 0.00 H new ATOM 1004 N ASN A 66 39.817 14.034 25.927 1.00 0.00 N ATOM 1005 CA ASN A 66 38.974 13.066 25.212 1.00 0.00 C ATOM 1006 C ASN A 66 39.259 11.643 25.736 1.00 0.00 C ATOM 1007 O ASN A 66 40.416 11.247 25.867 1.00 0.00 O ATOM 1008 CB ASN A 66 39.228 13.142 23.689 1.00 0.00 C ATOM 1009 CG ASN A 66 38.253 12.305 22.874 1.00 0.00 C ATOM 1010 OD1 ASN A 66 37.166 11.949 23.311 1.00 0.00 O ATOM 1011 ND2 ASN A 66 38.586 11.996 21.644 1.00 0.00 N ATOM 0 H ASN A 66 40.603 13.593 26.405 1.00 0.00 H new ATOM 0 HA ASN A 66 37.927 13.309 25.392 1.00 0.00 H new ATOM 0 HB2 ASN A 66 39.161 14.181 23.368 1.00 0.00 H new ATOM 0 HB3 ASN A 66 40.245 12.809 23.480 1.00 0.00 H new ATOM 0 HD21 ASN A 66 37.942 11.463 21.060 1.00 0.00 H new ATOM 0 HD22 ASN A 66 39.489 12.288 21.271 1.00 0.00 H new