USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 494 hydrogens (2 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 36 SER OG : rot 130:sc= 0.379 USER MOD Set 1.2: A 52 TYR OH : rot 180:sc= 0.315 USER MOD Single : A 1 LYS N :NH3+ -112:sc= 0.0341 (180deg=-0.0628) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc=-0.00161 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0293 USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= 1.57 (180deg=1.42) USER MOD Single : A 14 TYR OH : rot -82:sc= 0.186 USER MOD Single : A 18 LYS NZ :NH3+ -134:sc= 1.23 (180deg=0.0466) USER MOD Single : A 22 ASN : amide:sc= 0.0612 K(o=0.061,f=-2!) 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= 0.587 K(o=0.59,f=-0.4) USER MOD Single : A 32 GLN : amide:sc= 0.896 K(o=0.9,f=-2.8!) USER MOD Single : A 33 TYR OH : rot -169:sc= 1.12 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 96:sc= 1.31 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 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -135:sc= 1.28 USER MOD Single : A 66 ASN : amide:sc= 0.346 K(o=0.35,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 26.339 35.430 36.927 1.00 0.00 N ATOM 2 CA LYS A 1 27.220 34.279 37.209 1.00 0.00 C ATOM 3 C LYS A 1 27.082 33.218 36.116 1.00 0.00 C ATOM 4 O LYS A 1 26.013 33.059 35.530 1.00 0.00 O ATOM 5 CB LYS A 1 26.962 33.722 38.621 1.00 0.00 C ATOM 6 CG LYS A 1 27.386 34.685 39.751 1.00 0.00 C ATOM 7 CD LYS A 1 28.893 34.990 39.741 1.00 0.00 C ATOM 8 CE LYS A 1 29.316 35.897 40.902 1.00 0.00 C ATOM 9 NZ LYS A 1 30.773 36.169 40.849 1.00 0.00 N ATOM 0 H1 LYS A 1 26.918 36.263 36.697 1.00 0.00 H new ATOM 0 H2 LYS A 1 25.721 35.205 36.121 1.00 0.00 H new ATOM 0 H3 LYS A 1 25.756 35.634 37.764 1.00 0.00 H new ATOM 0 HA LYS A 1 28.257 34.614 37.195 1.00 0.00 H new ATOM 0 HB2 LYS A 1 25.901 33.497 38.726 1.00 0.00 H new ATOM 0 HB3 LYS A 1 27.500 32.781 38.736 1.00 0.00 H new ATOM 0 HG2 LYS A 1 26.831 35.618 39.654 1.00 0.00 H new ATOM 0 HG3 LYS A 1 27.114 34.251 40.713 1.00 0.00 H new ATOM 0 HD2 LYS A 1 29.450 34.055 39.793 1.00 0.00 H new ATOM 0 HD3 LYS A 1 29.158 35.466 38.797 1.00 0.00 H new ATOM 0 HE2 LYS A 1 28.764 36.836 40.857 1.00 0.00 H new ATOM 0 HE3 LYS A 1 29.063 35.424 41.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 31.040 36.785 41.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 31.296 35.273 40.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 31.006 36.641 39.952 1.00 0.00 H new ATOM 25 N GLU A 2 28.168 32.503 35.812 1.00 0.00 N ATOM 26 CA GLU A 2 28.280 31.562 34.679 1.00 0.00 C ATOM 27 C GLU A 2 29.063 30.281 35.061 1.00 0.00 C ATOM 28 O GLU A 2 29.734 30.241 36.098 1.00 0.00 O ATOM 29 CB GLU A 2 28.994 32.257 33.506 1.00 0.00 C ATOM 30 CG GLU A 2 28.325 33.506 32.915 1.00 0.00 C ATOM 31 CD GLU A 2 29.232 34.145 31.854 1.00 0.00 C ATOM 32 OE1 GLU A 2 30.099 34.973 32.221 1.00 0.00 O ATOM 33 OE2 GLU A 2 29.117 33.822 30.649 1.00 0.00 O ATOM 0 H GLU A 2 29.025 32.560 36.362 1.00 0.00 H new ATOM 0 HA GLU A 2 27.270 31.266 34.395 1.00 0.00 H new ATOM 0 HB2 GLU A 2 29.995 32.535 33.837 1.00 0.00 H new ATOM 0 HB3 GLU A 2 29.115 31.528 32.705 1.00 0.00 H new ATOM 0 HG2 GLU A 2 27.367 33.238 32.470 1.00 0.00 H new ATOM 0 HG3 GLU A 2 28.118 34.225 33.707 1.00 0.00 H new ATOM 40 N GLY A 3 29.009 29.231 34.234 1.00 0.00 N ATOM 41 CA GLY A 3 29.741 27.974 34.454 1.00 0.00 C ATOM 42 C GLY A 3 29.736 27.030 33.246 1.00 0.00 C ATOM 43 O GLY A 3 28.986 27.228 32.296 1.00 0.00 O ATOM 0 H GLY A 3 28.449 29.228 33.381 1.00 0.00 H new ATOM 0 HA2 GLY A 3 30.773 28.208 34.715 1.00 0.00 H new ATOM 0 HA3 GLY A 3 29.305 27.456 35.308 1.00 0.00 H new ATOM 47 N TYR A 4 30.573 25.992 33.249 1.00 0.00 N ATOM 48 CA TYR A 4 30.765 25.109 32.091 1.00 0.00 C ATOM 49 C TYR A 4 29.745 23.952 32.065 1.00 0.00 C ATOM 50 O TYR A 4 29.282 23.487 33.112 1.00 0.00 O ATOM 51 CB TYR A 4 32.234 24.638 32.086 1.00 0.00 C ATOM 52 CG TYR A 4 32.877 24.205 30.772 1.00 0.00 C ATOM 53 CD1 TYR A 4 32.561 24.806 29.532 1.00 0.00 C ATOM 54 CD2 TYR A 4 33.914 23.254 30.824 1.00 0.00 C ATOM 55 CE1 TYR A 4 33.268 24.450 28.368 1.00 0.00 C ATOM 56 CE2 TYR A 4 34.613 22.885 29.661 1.00 0.00 C ATOM 57 CZ TYR A 4 34.305 23.500 28.432 1.00 0.00 C ATOM 58 OH TYR A 4 34.973 23.151 27.306 1.00 0.00 O ATOM 0 H TYR A 4 31.141 25.736 34.057 1.00 0.00 H new ATOM 0 HA TYR A 4 30.572 25.655 31.167 1.00 0.00 H new ATOM 0 HB2 TYR A 4 32.839 25.448 32.495 1.00 0.00 H new ATOM 0 HB3 TYR A 4 32.311 23.801 32.780 1.00 0.00 H new ATOM 0 HD1 TYR A 4 31.773 25.542 29.477 1.00 0.00 H new ATOM 0 HD2 TYR A 4 34.176 22.802 31.769 1.00 0.00 H new ATOM 0 HE1 TYR A 4 33.014 24.907 27.423 1.00 0.00 H new ATOM 0 HE2 TYR A 4 35.385 22.131 29.710 1.00 0.00 H new ATOM 0 HH TYR A 4 35.658 22.485 27.525 1.00 0.00 H new ATOM 68 N LEU A 5 29.391 23.458 30.872 1.00 0.00 N ATOM 69 CA LEU A 5 28.568 22.249 30.730 1.00 0.00 C ATOM 70 C LEU A 5 29.442 21.005 30.965 1.00 0.00 C ATOM 71 O LEU A 5 30.463 20.861 30.287 1.00 0.00 O ATOM 72 CB LEU A 5 27.912 22.226 29.332 1.00 0.00 C ATOM 73 CG LEU A 5 26.810 21.156 29.213 1.00 0.00 C ATOM 74 CD1 LEU A 5 25.503 21.651 29.835 1.00 0.00 C ATOM 75 CD2 LEU A 5 26.533 20.795 27.756 1.00 0.00 C ATOM 0 H LEU A 5 29.664 23.880 29.985 1.00 0.00 H new ATOM 0 HA LEU A 5 27.771 22.250 31.473 1.00 0.00 H new ATOM 0 HB2 LEU A 5 27.486 23.206 29.118 1.00 0.00 H new ATOM 0 HB3 LEU A 5 28.677 22.040 28.578 1.00 0.00 H new ATOM 0 HG LEU A 5 27.171 20.275 29.744 1.00 0.00 H new ATOM 0 HD11 LEU A 5 24.739 20.879 29.739 1.00 0.00 H new ATOM 0 HD12 LEU A 5 25.664 21.874 30.890 1.00 0.00 H new ATOM 0 HD13 LEU A 5 25.174 22.553 29.320 1.00 0.00 H new ATOM 0 HD21 LEU A 5 25.750 20.038 27.711 1.00 0.00 H new ATOM 0 HD22 LEU A 5 26.208 21.685 27.216 1.00 0.00 H new ATOM 0 HD23 LEU A 5 27.442 20.405 27.299 1.00 0.00 H new ATOM 87 N VAL A 6 29.063 20.110 31.883 1.00 0.00 N ATOM 88 CA VAL A 6 29.852 18.907 32.225 1.00 0.00 C ATOM 89 C VAL A 6 29.207 17.630 31.682 1.00 0.00 C ATOM 90 O VAL A 6 28.006 17.417 31.845 1.00 0.00 O ATOM 91 CB VAL A 6 30.159 18.845 33.737 1.00 0.00 C ATOM 92 CG1 VAL A 6 28.926 18.725 34.633 1.00 0.00 C ATOM 93 CG2 VAL A 6 31.145 17.720 34.071 1.00 0.00 C ATOM 0 H VAL A 6 28.197 20.194 32.416 1.00 0.00 H new ATOM 0 HA VAL A 6 30.817 18.985 31.724 1.00 0.00 H new ATOM 0 HB VAL A 6 30.612 19.812 33.956 1.00 0.00 H new ATOM 0 HG11 VAL A 6 29.237 18.688 35.677 1.00 0.00 H new ATOM 0 HG12 VAL A 6 28.278 19.588 34.478 1.00 0.00 H new ATOM 0 HG13 VAL A 6 28.383 17.814 34.384 1.00 0.00 H new ATOM 0 HG21 VAL A 6 31.335 17.710 35.144 1.00 0.00 H new ATOM 0 HG22 VAL A 6 30.721 16.763 33.768 1.00 0.00 H new ATOM 0 HG23 VAL A 6 32.081 17.887 33.538 1.00 0.00 H new ATOM 103 N SER A 7 30.001 16.768 31.045 1.00 0.00 N ATOM 104 CA SER A 7 29.543 15.516 30.422 1.00 0.00 C ATOM 105 C SER A 7 30.385 14.337 30.916 1.00 0.00 C ATOM 106 O SER A 7 31.616 14.410 30.914 1.00 0.00 O ATOM 107 CB SER A 7 29.596 15.626 28.892 1.00 0.00 C ATOM 108 OG SER A 7 28.749 16.670 28.436 1.00 0.00 O ATOM 0 H SER A 7 31.004 16.921 30.943 1.00 0.00 H new ATOM 0 HA SER A 7 28.507 15.340 30.712 1.00 0.00 H new ATOM 0 HB2 SER A 7 30.620 15.815 28.571 1.00 0.00 H new ATOM 0 HB3 SER A 7 29.291 14.681 28.443 1.00 0.00 H new ATOM 0 HG SER A 7 28.797 16.727 27.459 1.00 0.00 H new ATOM 114 N LYS A 8 29.712 13.252 31.328 1.00 0.00 N ATOM 115 CA LYS A 8 30.259 12.058 31.999 1.00 0.00 C ATOM 116 C LYS A 8 30.960 12.345 33.340 1.00 0.00 C ATOM 117 O LYS A 8 31.254 13.490 33.693 1.00 0.00 O ATOM 118 CB LYS A 8 31.137 11.260 31.014 1.00 0.00 C ATOM 119 CG LYS A 8 30.356 10.809 29.768 1.00 0.00 C ATOM 120 CD LYS A 8 31.265 10.097 28.761 1.00 0.00 C ATOM 121 CE LYS A 8 30.422 9.683 27.553 1.00 0.00 C ATOM 122 NZ LYS A 8 31.229 8.962 26.548 1.00 0.00 N ATOM 0 H LYS A 8 28.704 13.178 31.193 1.00 0.00 H new ATOM 0 HA LYS A 8 29.411 11.437 32.288 1.00 0.00 H new ATOM 0 HB2 LYS A 8 31.984 11.874 30.707 1.00 0.00 H new ATOM 0 HB3 LYS A 8 31.544 10.385 31.521 1.00 0.00 H new ATOM 0 HG2 LYS A 8 29.548 10.141 30.066 1.00 0.00 H new ATOM 0 HG3 LYS A 8 29.894 11.675 29.294 1.00 0.00 H new ATOM 0 HD2 LYS A 8 32.075 10.757 28.449 1.00 0.00 H new ATOM 0 HD3 LYS A 8 31.725 9.222 29.219 1.00 0.00 H new ATOM 0 HE2 LYS A 8 29.599 9.049 27.883 1.00 0.00 H new ATOM 0 HE3 LYS A 8 29.979 10.568 27.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 30.626 8.697 25.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 31.999 9.577 26.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 31.631 8.104 26.976 1.00 0.00 H new ATOM 136 N SER A 9 31.262 11.291 34.099 1.00 0.00 N ATOM 137 CA SER A 9 32.044 11.363 35.353 1.00 0.00 C ATOM 138 C SER A 9 33.455 11.953 35.164 1.00 0.00 C ATOM 139 O SER A 9 34.024 12.543 36.088 1.00 0.00 O ATOM 140 CB SER A 9 32.164 9.960 35.962 1.00 0.00 C ATOM 141 OG SER A 9 32.755 9.057 35.042 1.00 0.00 O ATOM 0 H SER A 9 30.969 10.343 33.863 1.00 0.00 H new ATOM 0 HA SER A 9 31.504 12.037 36.018 1.00 0.00 H new ATOM 0 HB2 SER A 9 32.764 10.004 36.871 1.00 0.00 H new ATOM 0 HB3 SER A 9 31.177 9.598 36.249 1.00 0.00 H new ATOM 0 HG SER A 9 32.823 8.170 35.452 1.00 0.00 H new ATOM 147 N THR A 10 34.007 11.825 33.954 1.00 0.00 N ATOM 148 CA THR A 10 35.345 12.276 33.541 1.00 0.00 C ATOM 149 C THR A 10 35.404 13.738 33.084 1.00 0.00 C ATOM 150 O THR A 10 36.486 14.332 33.096 1.00 0.00 O ATOM 151 CB THR A 10 35.853 11.376 32.399 1.00 0.00 C ATOM 152 OG1 THR A 10 34.862 11.266 31.394 1.00 0.00 O ATOM 153 CG2 THR A 10 36.161 9.962 32.889 1.00 0.00 C ATOM 0 H THR A 10 33.504 11.377 33.188 1.00 0.00 H new ATOM 0 HA THR A 10 35.976 12.203 34.426 1.00 0.00 H new ATOM 0 HB THR A 10 36.762 11.836 32.012 1.00 0.00 H new ATOM 0 HG1 THR A 10 35.192 10.694 30.670 1.00 0.00 H new ATOM 0 HG21 THR A 10 36.517 9.357 32.055 1.00 0.00 H new ATOM 0 HG22 THR A 10 36.930 10.004 33.661 1.00 0.00 H new ATOM 0 HG23 THR A 10 35.257 9.515 33.302 1.00 0.00 H new ATOM 161 N GLY A 11 34.277 14.349 32.691 1.00 0.00 N ATOM 162 CA GLY A 11 34.261 15.668 32.043 1.00 0.00 C ATOM 163 C GLY A 11 34.762 15.627 30.592 1.00 0.00 C ATOM 164 O GLY A 11 35.569 16.471 30.198 1.00 0.00 O ATOM 0 H GLY A 11 33.350 13.942 32.814 1.00 0.00 H new ATOM 0 HA2 GLY A 11 33.245 16.063 32.060 1.00 0.00 H new ATOM 0 HA3 GLY A 11 34.881 16.357 32.617 1.00 0.00 H new ATOM 168 N CYS A 12 34.352 14.619 29.813 1.00 0.00 N ATOM 169 CA CYS A 12 34.831 14.385 28.446 1.00 0.00 C ATOM 170 C CYS A 12 34.073 15.244 27.415 1.00 0.00 C ATOM 171 O CYS A 12 32.841 15.191 27.370 1.00 0.00 O ATOM 172 CB CYS A 12 34.739 12.887 28.121 1.00 0.00 C ATOM 173 SG CYS A 12 35.854 12.358 26.798 1.00 0.00 S ATOM 0 H CYS A 12 33.665 13.931 30.121 1.00 0.00 H new ATOM 0 HA CYS A 12 35.875 14.693 28.385 1.00 0.00 H new ATOM 0 HB2 CYS A 12 34.962 12.315 29.022 1.00 0.00 H new ATOM 0 HB3 CYS A 12 33.714 12.648 27.837 1.00 0.00 H new ATOM 178 N LYS A 13 34.785 16.039 26.602 1.00 0.00 N ATOM 179 CA LYS A 13 34.233 17.185 25.847 1.00 0.00 C ATOM 180 C LYS A 13 34.680 17.229 24.379 1.00 0.00 C ATOM 181 O LYS A 13 35.824 16.905 24.054 1.00 0.00 O ATOM 182 CB LYS A 13 34.635 18.493 26.563 1.00 0.00 C ATOM 183 CG LYS A 13 33.935 18.712 27.920 1.00 0.00 C ATOM 184 CD LYS A 13 32.544 19.356 27.811 1.00 0.00 C ATOM 185 CE LYS A 13 32.684 20.865 27.572 1.00 0.00 C ATOM 186 NZ LYS A 13 31.402 21.578 27.767 1.00 0.00 N ATOM 0 H LYS A 13 35.784 15.904 26.444 1.00 0.00 H new ATOM 0 HA LYS A 13 33.150 17.067 25.826 1.00 0.00 H new ATOM 0 HB2 LYS A 13 35.714 18.492 26.719 1.00 0.00 H new ATOM 0 HB3 LYS A 13 34.409 19.336 25.910 1.00 0.00 H new ATOM 0 HG2 LYS A 13 33.840 17.752 28.427 1.00 0.00 H new ATOM 0 HG3 LYS A 13 34.567 19.342 28.546 1.00 0.00 H new ATOM 0 HD2 LYS A 13 31.986 18.900 26.994 1.00 0.00 H new ATOM 0 HD3 LYS A 13 31.977 19.175 28.724 1.00 0.00 H new ATOM 0 HE2 LYS A 13 33.432 21.272 28.252 1.00 0.00 H new ATOM 0 HE3 LYS A 13 33.046 21.040 26.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 31.587 22.590 27.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 30.805 21.456 26.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 30.912 21.190 28.598 1.00 0.00 H new ATOM 200 N TYR A 14 33.784 17.707 23.513 1.00 0.00 N ATOM 201 CA TYR A 14 33.978 17.903 22.069 1.00 0.00 C ATOM 202 C TYR A 14 33.416 19.268 21.617 1.00 0.00 C ATOM 203 O TYR A 14 32.591 19.877 22.307 1.00 0.00 O ATOM 204 CB TYR A 14 33.335 16.734 21.301 1.00 0.00 C ATOM 205 CG TYR A 14 34.009 15.381 21.500 1.00 0.00 C ATOM 206 CD1 TYR A 14 33.657 14.553 22.586 1.00 0.00 C ATOM 207 CD2 TYR A 14 34.976 14.936 20.579 1.00 0.00 C ATOM 208 CE1 TYR A 14 34.256 13.286 22.744 1.00 0.00 C ATOM 209 CE2 TYR A 14 35.564 13.663 20.723 1.00 0.00 C ATOM 210 CZ TYR A 14 35.202 12.829 21.801 1.00 0.00 C ATOM 211 OH TYR A 14 35.742 11.582 21.906 1.00 0.00 O ATOM 0 H TYR A 14 32.850 17.984 23.814 1.00 0.00 H new ATOM 0 HA TYR A 14 35.045 17.913 21.846 1.00 0.00 H new ATOM 0 HB2 TYR A 14 32.291 16.651 21.604 1.00 0.00 H new ATOM 0 HB3 TYR A 14 33.340 16.972 20.237 1.00 0.00 H new ATOM 0 HD1 TYR A 14 32.923 14.892 23.302 1.00 0.00 H new ATOM 0 HD2 TYR A 14 35.269 15.573 19.758 1.00 0.00 H new ATOM 0 HE1 TYR A 14 33.991 12.665 23.587 1.00 0.00 H new ATOM 0 HE2 TYR A 14 36.295 13.325 20.004 1.00 0.00 H new ATOM 0 HH TYR A 14 36.480 11.598 22.550 1.00 0.00 H new ATOM 221 N GLU A 15 33.879 19.787 20.476 1.00 0.00 N ATOM 222 CA GLU A 15 33.626 21.174 20.051 1.00 0.00 C ATOM 223 C GLU A 15 32.333 21.387 19.243 1.00 0.00 C ATOM 224 O GLU A 15 31.895 20.538 18.457 1.00 0.00 O ATOM 225 CB GLU A 15 34.843 21.776 19.324 1.00 0.00 C ATOM 226 CG GLU A 15 35.236 21.103 17.999 1.00 0.00 C ATOM 227 CD GLU A 15 36.148 19.893 18.217 1.00 0.00 C ATOM 228 OE1 GLU A 15 35.646 18.770 18.461 1.00 0.00 O ATOM 229 OE2 GLU A 15 37.391 20.059 18.165 1.00 0.00 O ATOM 0 H GLU A 15 34.444 19.256 19.814 1.00 0.00 H new ATOM 0 HA GLU A 15 33.465 21.717 20.983 1.00 0.00 H new ATOM 0 HB2 GLU A 15 34.640 22.829 19.128 1.00 0.00 H new ATOM 0 HB3 GLU A 15 35.700 21.737 19.997 1.00 0.00 H new ATOM 0 HG2 GLU A 15 34.336 20.788 17.472 1.00 0.00 H new ATOM 0 HG3 GLU A 15 35.742 21.828 17.361 1.00 0.00 H new ATOM 236 N CYS A 16 31.752 22.576 19.400 1.00 0.00 N ATOM 237 CA CYS A 16 30.651 23.090 18.596 1.00 0.00 C ATOM 238 C CYS A 16 31.141 23.533 17.207 1.00 0.00 C ATOM 239 O CYS A 16 32.273 23.995 17.044 1.00 0.00 O ATOM 240 CB CYS A 16 30.017 24.292 19.311 1.00 0.00 C ATOM 241 SG CYS A 16 29.566 24.065 21.049 1.00 0.00 S ATOM 0 H CYS A 16 32.050 23.232 20.122 1.00 0.00 H new ATOM 0 HA CYS A 16 29.918 22.294 18.469 1.00 0.00 H new ATOM 0 HB2 CYS A 16 30.711 25.130 19.247 1.00 0.00 H new ATOM 0 HB3 CYS A 16 29.120 24.579 18.762 1.00 0.00 H new ATOM 246 N LEU A 17 30.250 23.510 16.212 1.00 0.00 N ATOM 247 CA LEU A 17 30.548 23.972 14.847 1.00 0.00 C ATOM 248 C LEU A 17 30.830 25.488 14.717 1.00 0.00 C ATOM 249 O LEU A 17 31.234 25.934 13.640 1.00 0.00 O ATOM 250 CB LEU A 17 29.467 23.457 13.869 1.00 0.00 C ATOM 251 CG LEU A 17 27.985 23.718 14.222 1.00 0.00 C ATOM 252 CD1 LEU A 17 27.623 25.202 14.298 1.00 0.00 C ATOM 253 CD2 LEU A 17 27.092 23.068 13.164 1.00 0.00 C ATOM 0 H LEU A 17 29.296 23.169 16.328 1.00 0.00 H new ATOM 0 HA LEU A 17 31.504 23.530 14.567 1.00 0.00 H new ATOM 0 HB2 LEU A 17 29.661 23.902 12.893 1.00 0.00 H new ATOM 0 HB3 LEU A 17 29.600 22.381 13.761 1.00 0.00 H new ATOM 0 HG LEU A 17 27.828 23.290 15.212 1.00 0.00 H new ATOM 0 HD11 LEU A 17 26.568 25.307 14.550 1.00 0.00 H new ATOM 0 HD12 LEU A 17 28.229 25.685 15.064 1.00 0.00 H new ATOM 0 HD13 LEU A 17 27.814 25.673 13.334 1.00 0.00 H new ATOM 0 HD21 LEU A 17 26.046 23.250 13.409 1.00 0.00 H new ATOM 0 HD22 LEU A 17 27.315 23.496 12.187 1.00 0.00 H new ATOM 0 HD23 LEU A 17 27.278 21.994 13.141 1.00 0.00 H new ATOM 265 N LYS A 18 30.657 26.273 15.792 1.00 0.00 N ATOM 266 CA LYS A 18 30.866 27.729 15.854 1.00 0.00 C ATOM 267 C LYS A 18 31.295 28.182 17.258 1.00 0.00 C ATOM 268 O LYS A 18 30.698 27.752 18.244 1.00 0.00 O ATOM 269 CB LYS A 18 29.550 28.422 15.444 1.00 0.00 C ATOM 270 CG LYS A 18 29.664 29.956 15.420 1.00 0.00 C ATOM 271 CD LYS A 18 28.401 30.640 14.887 1.00 0.00 C ATOM 272 CE LYS A 18 27.238 30.555 15.885 1.00 0.00 C ATOM 273 NZ LYS A 18 25.989 31.090 15.300 1.00 0.00 N ATOM 0 H LYS A 18 30.352 25.890 16.687 1.00 0.00 H new ATOM 0 HA LYS A 18 31.671 28.004 15.173 1.00 0.00 H new ATOM 0 HB2 LYS A 18 29.252 28.069 14.457 1.00 0.00 H new ATOM 0 HB3 LYS A 18 28.761 28.132 16.138 1.00 0.00 H new ATOM 0 HG2 LYS A 18 29.868 30.316 16.429 1.00 0.00 H new ATOM 0 HG3 LYS A 18 30.515 30.242 14.801 1.00 0.00 H new ATOM 0 HD2 LYS A 18 28.618 31.686 14.672 1.00 0.00 H new ATOM 0 HD3 LYS A 18 28.106 30.175 13.946 1.00 0.00 H new ATOM 0 HE2 LYS A 18 27.087 29.518 16.184 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.488 31.113 16.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 25.527 31.721 15.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 26.211 31.622 14.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 25.349 30.303 15.069 1.00 0.00 H new ATOM 287 N LEU A 19 32.247 29.114 17.340 1.00 0.00 N ATOM 288 CA LEU A 19 32.482 29.958 18.522 1.00 0.00 C ATOM 289 C LEU A 19 31.424 31.080 18.562 1.00 0.00 C ATOM 290 O LEU A 19 31.557 32.101 17.881 1.00 0.00 O ATOM 291 CB LEU A 19 33.937 30.477 18.480 1.00 0.00 C ATOM 292 CG LEU A 19 34.310 31.511 19.564 1.00 0.00 C ATOM 293 CD1 LEU A 19 34.090 30.984 20.980 1.00 0.00 C ATOM 294 CD2 LEU A 19 35.783 31.899 19.422 1.00 0.00 C ATOM 0 H LEU A 19 32.891 29.310 16.573 1.00 0.00 H new ATOM 0 HA LEU A 19 32.371 29.394 19.448 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.610 29.624 18.570 1.00 0.00 H new ATOM 0 HB3 LEU A 19 34.116 30.923 17.502 1.00 0.00 H new ATOM 0 HG LEU A 19 33.658 32.371 19.414 1.00 0.00 H new ATOM 0 HD11 LEU A 19 34.368 31.752 21.701 1.00 0.00 H new ATOM 0 HD12 LEU A 19 33.040 30.725 21.113 1.00 0.00 H new ATOM 0 HD13 LEU A 19 34.705 30.098 21.138 1.00 0.00 H new ATOM 0 HD21 LEU A 19 36.043 32.629 20.189 1.00 0.00 H new ATOM 0 HD22 LEU A 19 36.406 31.012 19.540 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.952 32.333 18.436 1.00 0.00 H new ATOM 306 N GLY A 20 30.330 30.853 19.295 1.00 0.00 N ATOM 307 CA GLY A 20 29.186 31.768 19.375 1.00 0.00 C ATOM 308 C GLY A 20 27.897 31.082 19.836 1.00 0.00 C ATOM 309 O GLY A 20 27.944 30.062 20.533 1.00 0.00 O ATOM 0 H GLY A 20 30.212 30.012 19.860 1.00 0.00 H new ATOM 0 HA2 GLY A 20 29.425 32.579 20.063 1.00 0.00 H new ATOM 0 HA3 GLY A 20 29.020 32.219 18.397 1.00 0.00 H new ATOM 313 N ASP A 21 26.750 31.638 19.434 1.00 0.00 N ATOM 314 CA ASP A 21 25.409 31.158 19.806 1.00 0.00 C ATOM 315 C ASP A 21 25.088 29.759 19.238 1.00 0.00 C ATOM 316 O ASP A 21 25.321 29.478 18.056 1.00 0.00 O ATOM 317 CB ASP A 21 24.326 32.194 19.435 1.00 0.00 C ATOM 318 CG ASP A 21 23.921 32.173 17.959 1.00 0.00 C ATOM 319 OD1 ASP A 21 24.656 32.745 17.123 1.00 0.00 O ATOM 320 OD2 ASP A 21 22.887 31.550 17.616 1.00 0.00 O ATOM 0 H ASP A 21 26.724 32.456 18.825 1.00 0.00 H new ATOM 0 HA ASP A 21 25.407 31.044 20.890 1.00 0.00 H new ATOM 0 HB2 ASP A 21 23.442 32.014 20.046 1.00 0.00 H new ATOM 0 HB3 ASP A 21 24.690 33.190 19.687 1.00 0.00 H new ATOM 325 N ASN A 22 24.542 28.875 20.079 1.00 0.00 N ATOM 326 CA ASN A 22 24.255 27.483 19.723 1.00 0.00 C ATOM 327 C ASN A 22 23.069 26.926 20.537 1.00 0.00 C ATOM 328 O ASN A 22 23.082 26.946 21.768 1.00 0.00 O ATOM 329 CB ASN A 22 25.548 26.668 19.920 1.00 0.00 C ATOM 330 CG ASN A 22 25.455 25.297 19.289 1.00 0.00 C ATOM 331 OD1 ASN A 22 25.216 24.290 19.942 1.00 0.00 O ATOM 332 ND2 ASN A 22 25.629 25.227 17.990 1.00 0.00 N ATOM 0 H ASN A 22 24.284 29.109 21.038 1.00 0.00 H new ATOM 0 HA ASN A 22 23.946 27.413 18.680 1.00 0.00 H new ATOM 0 HB2 ASN A 22 26.388 27.210 19.486 1.00 0.00 H new ATOM 0 HB3 ASN A 22 25.752 26.564 20.986 1.00 0.00 H new ATOM 0 HD21 ASN A 22 25.565 24.327 17.515 1.00 0.00 H new ATOM 0 HD22 ASN A 22 25.828 26.073 17.456 1.00 0.00 H new ATOM 339 N ASP A 23 22.045 26.413 19.854 1.00 0.00 N ATOM 340 CA ASP A 23 20.754 26.045 20.453 1.00 0.00 C ATOM 341 C ASP A 23 20.773 24.659 21.129 1.00 0.00 C ATOM 342 O ASP A 23 20.137 24.467 22.164 1.00 0.00 O ATOM 343 CB ASP A 23 19.689 26.137 19.354 1.00 0.00 C ATOM 344 CG ASP A 23 18.297 25.764 19.854 1.00 0.00 C ATOM 345 OD1 ASP A 23 17.624 26.612 20.479 1.00 0.00 O ATOM 346 OD2 ASP A 23 17.855 24.626 19.560 1.00 0.00 O ATOM 0 H ASP A 23 22.087 26.237 18.850 1.00 0.00 H new ATOM 0 HA ASP A 23 20.523 26.739 21.262 1.00 0.00 H new ATOM 0 HB2 ASP A 23 19.669 27.152 18.957 1.00 0.00 H new ATOM 0 HB3 ASP A 23 19.964 25.478 18.530 1.00 0.00 H new ATOM 351 N TYR A 24 21.554 23.712 20.604 1.00 0.00 N ATOM 352 CA TYR A 24 21.836 22.433 21.270 1.00 0.00 C ATOM 353 C TYR A 24 22.565 22.644 22.608 1.00 0.00 C ATOM 354 O TYR A 24 22.174 22.070 23.629 1.00 0.00 O ATOM 355 CB TYR A 24 22.650 21.551 20.313 1.00 0.00 C ATOM 356 CG TYR A 24 23.203 20.285 20.940 1.00 0.00 C ATOM 357 CD1 TYR A 24 22.369 19.166 21.132 1.00 0.00 C ATOM 358 CD2 TYR A 24 24.559 20.222 21.318 1.00 0.00 C ATOM 359 CE1 TYR A 24 22.884 17.991 21.715 1.00 0.00 C ATOM 360 CE2 TYR A 24 25.079 19.046 21.891 1.00 0.00 C ATOM 361 CZ TYR A 24 24.243 17.929 22.099 1.00 0.00 C ATOM 362 OH TYR A 24 24.759 16.798 22.653 1.00 0.00 O ATOM 0 H TYR A 24 22.013 23.809 19.698 1.00 0.00 H new ATOM 0 HA TYR A 24 20.898 21.933 21.509 1.00 0.00 H new ATOM 0 HB2 TYR A 24 22.020 21.277 19.467 1.00 0.00 H new ATOM 0 HB3 TYR A 24 23.479 22.137 19.916 1.00 0.00 H new ATOM 0 HD1 TYR A 24 21.332 19.209 20.832 1.00 0.00 H new ATOM 0 HD2 TYR A 24 25.201 21.078 21.168 1.00 0.00 H new ATOM 0 HE1 TYR A 24 22.240 17.138 21.868 1.00 0.00 H new ATOM 0 HE2 TYR A 24 26.121 18.999 22.172 1.00 0.00 H new ATOM 0 HH TYR A 24 25.708 16.936 22.853 1.00 0.00 H new ATOM 372 N CYS A 25 23.570 23.530 22.622 1.00 0.00 N ATOM 373 CA CYS A 25 24.249 23.961 23.845 1.00 0.00 C ATOM 374 C CYS A 25 23.271 24.611 24.840 1.00 0.00 C ATOM 375 O CYS A 25 23.215 24.208 26.002 1.00 0.00 O ATOM 376 CB CYS A 25 25.386 24.917 23.454 1.00 0.00 C ATOM 377 SG CYS A 25 26.254 25.727 24.823 1.00 0.00 S ATOM 0 H CYS A 25 23.935 23.969 21.777 1.00 0.00 H new ATOM 0 HA CYS A 25 24.664 23.094 24.358 1.00 0.00 H new ATOM 0 HB2 CYS A 25 26.116 24.360 22.867 1.00 0.00 H new ATOM 0 HB3 CYS A 25 24.976 25.689 22.803 1.00 0.00 H new ATOM 382 N LEU A 26 22.439 25.555 24.376 1.00 0.00 N ATOM 383 CA LEU A 26 21.420 26.211 25.200 1.00 0.00 C ATOM 384 C LEU A 26 20.462 25.201 25.860 1.00 0.00 C ATOM 385 O LEU A 26 20.193 25.306 27.059 1.00 0.00 O ATOM 386 CB LEU A 26 20.663 27.223 24.318 1.00 0.00 C ATOM 387 CG LEU A 26 19.591 28.045 25.056 1.00 0.00 C ATOM 388 CD1 LEU A 26 20.202 28.904 26.160 1.00 0.00 C ATOM 389 CD2 LEU A 26 18.883 28.975 24.074 1.00 0.00 C ATOM 0 H LEU A 26 22.457 25.885 23.411 1.00 0.00 H new ATOM 0 HA LEU A 26 21.907 26.732 26.024 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.385 27.908 23.874 1.00 0.00 H new ATOM 0 HB3 LEU A 26 20.188 26.685 23.498 1.00 0.00 H new ATOM 0 HG LEU A 26 18.889 27.338 25.499 1.00 0.00 H new ATOM 0 HD11 LEU A 26 19.415 29.470 26.658 1.00 0.00 H new ATOM 0 HD12 LEU A 26 20.703 28.262 26.885 1.00 0.00 H new ATOM 0 HD13 LEU A 26 20.925 29.594 25.726 1.00 0.00 H new ATOM 0 HD21 LEU A 26 18.126 29.554 24.603 1.00 0.00 H new ATOM 0 HD22 LEU A 26 19.610 29.652 23.626 1.00 0.00 H new ATOM 0 HD23 LEU A 26 18.407 28.384 23.292 1.00 0.00 H new ATOM 401 N ARG A 27 19.994 24.192 25.113 1.00 0.00 N ATOM 402 CA ARG A 27 19.087 23.151 25.623 1.00 0.00 C ATOM 403 C ARG A 27 19.707 22.291 26.726 1.00 0.00 C ATOM 404 O ARG A 27 19.034 22.059 27.731 1.00 0.00 O ATOM 405 CB ARG A 27 18.558 22.294 24.458 1.00 0.00 C ATOM 406 CG ARG A 27 17.386 22.998 23.755 1.00 0.00 C ATOM 407 CD ARG A 27 16.847 22.174 22.580 1.00 0.00 C ATOM 408 NE ARG A 27 17.623 22.395 21.350 1.00 0.00 N ATOM 409 CZ ARG A 27 18.166 21.499 20.551 1.00 0.00 C ATOM 410 NH1 ARG A 27 18.190 20.218 20.778 1.00 0.00 N ATOM 411 NH2 ARG A 27 18.713 21.902 19.448 1.00 0.00 N ATOM 0 H ARG A 27 20.235 24.073 24.129 1.00 0.00 H new ATOM 0 HA ARG A 27 18.247 23.660 26.096 1.00 0.00 H new ATOM 0 HB2 ARG A 27 19.359 22.109 23.743 1.00 0.00 H new ATOM 0 HB3 ARG A 27 18.234 21.323 24.832 1.00 0.00 H new ATOM 0 HG2 ARG A 27 16.585 23.174 24.473 1.00 0.00 H new ATOM 0 HG3 ARG A 27 17.712 23.974 23.395 1.00 0.00 H new ATOM 0 HD2 ARG A 27 16.871 21.115 22.838 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.804 22.435 22.402 1.00 0.00 H new ATOM 0 HE ARG A 27 17.758 23.369 21.080 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.767 19.842 21.627 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.632 19.589 20.107 1.00 0.00 H new ATOM 0 HH21 ARG A 27 18.717 22.895 19.214 1.00 0.00 H new ATOM 0 HH22 ARG A 27 19.140 21.227 18.814 1.00 0.00 H new ATOM 425 N GLU A 28 20.972 21.873 26.612 1.00 0.00 N ATOM 426 CA GLU A 28 21.636 21.141 27.708 1.00 0.00 C ATOM 427 C GLU A 28 22.053 22.045 28.879 1.00 0.00 C ATOM 428 O GLU A 28 21.982 21.605 30.026 1.00 0.00 O ATOM 429 CB GLU A 28 22.820 20.289 27.227 1.00 0.00 C ATOM 430 CG GLU A 28 22.412 19.048 26.417 1.00 0.00 C ATOM 431 CD GLU A 28 21.454 18.087 27.149 1.00 0.00 C ATOM 432 OE1 GLU A 28 21.665 17.738 28.337 1.00 0.00 O ATOM 433 OE2 GLU A 28 20.492 17.614 26.493 1.00 0.00 O ATOM 0 H GLU A 28 21.553 22.023 25.787 1.00 0.00 H new ATOM 0 HA GLU A 28 20.874 20.460 28.086 1.00 0.00 H new ATOM 0 HB2 GLU A 28 23.475 20.909 26.616 1.00 0.00 H new ATOM 0 HB3 GLU A 28 23.400 19.970 28.093 1.00 0.00 H new ATOM 0 HG2 GLU A 28 21.939 19.375 25.491 1.00 0.00 H new ATOM 0 HG3 GLU A 28 23.312 18.500 26.139 1.00 0.00 H new ATOM 440 N CYS A 29 22.381 23.322 28.653 1.00 0.00 N ATOM 441 CA CYS A 29 22.566 24.284 29.746 1.00 0.00 C ATOM 442 C CYS A 29 21.280 24.457 30.568 1.00 0.00 C ATOM 443 O CYS A 29 21.312 24.388 31.800 1.00 0.00 O ATOM 444 CB CYS A 29 23.045 25.626 29.181 1.00 0.00 C ATOM 445 SG CYS A 29 24.779 25.642 28.676 1.00 0.00 S ATOM 0 H CYS A 29 22.524 23.714 27.722 1.00 0.00 H new ATOM 0 HA CYS A 29 23.327 23.895 30.422 1.00 0.00 H new ATOM 0 HB2 CYS A 29 22.426 25.887 28.323 1.00 0.00 H new ATOM 0 HB3 CYS A 29 22.890 26.400 29.933 1.00 0.00 H new ATOM 450 N LYS A 30 20.129 24.589 29.896 1.00 0.00 N ATOM 451 CA LYS A 30 18.803 24.602 30.531 1.00 0.00 C ATOM 452 C LYS A 30 18.444 23.269 31.196 1.00 0.00 C ATOM 453 O LYS A 30 17.775 23.267 32.227 1.00 0.00 O ATOM 454 CB LYS A 30 17.747 25.003 29.493 1.00 0.00 C ATOM 455 CG LYS A 30 17.812 26.505 29.168 1.00 0.00 C ATOM 456 CD LYS A 30 16.734 26.849 28.140 1.00 0.00 C ATOM 457 CE LYS A 30 16.799 28.323 27.733 1.00 0.00 C ATOM 458 NZ LYS A 30 15.737 28.637 26.751 1.00 0.00 N ATOM 0 H LYS A 30 20.091 24.691 28.882 1.00 0.00 H new ATOM 0 HA LYS A 30 18.828 25.338 31.335 1.00 0.00 H new ATOM 0 HB2 LYS A 30 17.896 24.426 28.580 1.00 0.00 H new ATOM 0 HB3 LYS A 30 16.754 24.754 29.869 1.00 0.00 H new ATOM 0 HG2 LYS A 30 17.665 27.091 30.075 1.00 0.00 H new ATOM 0 HG3 LYS A 30 18.797 26.762 28.778 1.00 0.00 H new ATOM 0 HD2 LYS A 30 16.857 26.221 27.258 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.750 26.628 28.554 1.00 0.00 H new ATOM 0 HE2 LYS A 30 16.686 28.955 28.614 1.00 0.00 H new ATOM 0 HE3 LYS A 30 17.776 28.545 27.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.795 29.641 26.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.862 28.047 25.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.806 28.444 27.173 1.00 0.00 H new ATOM 472 N GLN A 31 18.927 22.143 30.668 1.00 0.00 N ATOM 473 CA GLN A 31 18.753 20.815 31.264 1.00 0.00 C ATOM 474 C GLN A 31 19.523 20.705 32.593 1.00 0.00 C ATOM 475 O GLN A 31 18.916 20.441 33.636 1.00 0.00 O ATOM 476 CB GLN A 31 19.151 19.749 30.225 1.00 0.00 C ATOM 477 CG GLN A 31 18.822 18.301 30.604 1.00 0.00 C ATOM 478 CD GLN A 31 19.837 17.684 31.558 1.00 0.00 C ATOM 479 OE1 GLN A 31 19.549 17.413 32.718 1.00 0.00 O ATOM 480 NE2 GLN A 31 21.050 17.456 31.111 1.00 0.00 N ATOM 0 H GLN A 31 19.460 22.127 29.798 1.00 0.00 H new ATOM 0 HA GLN A 31 17.708 20.645 31.523 1.00 0.00 H new ATOM 0 HB2 GLN A 31 18.654 19.981 29.283 1.00 0.00 H new ATOM 0 HB3 GLN A 31 20.224 19.824 30.046 1.00 0.00 H new ATOM 0 HG2 GLN A 31 17.834 18.268 31.064 1.00 0.00 H new ATOM 0 HG3 GLN A 31 18.772 17.698 29.698 1.00 0.00 H new ATOM 0 HE21 GLN A 31 21.289 17.682 30.145 1.00 0.00 H new ATOM 0 HE22 GLN A 31 21.754 17.053 31.729 1.00 0.00 H new ATOM 489 N GLN A 32 20.833 20.982 32.586 1.00 0.00 N ATOM 490 CA GLN A 32 21.696 20.836 33.764 1.00 0.00 C ATOM 491 C GLN A 32 21.438 21.887 34.853 1.00 0.00 C ATOM 492 O GLN A 32 21.415 21.532 36.034 1.00 0.00 O ATOM 493 CB GLN A 32 23.181 20.875 33.364 1.00 0.00 C ATOM 494 CG GLN A 32 23.597 19.644 32.546 1.00 0.00 C ATOM 495 CD GLN A 32 25.109 19.471 32.414 1.00 0.00 C ATOM 496 OE1 GLN A 32 25.919 20.020 33.154 1.00 0.00 O ATOM 497 NE2 GLN A 32 25.552 18.668 31.477 1.00 0.00 N ATOM 0 H GLN A 32 21.326 21.316 31.758 1.00 0.00 H new ATOM 0 HA GLN A 32 21.445 19.864 34.188 1.00 0.00 H new ATOM 0 HB2 GLN A 32 23.375 21.777 32.783 1.00 0.00 H new ATOM 0 HB3 GLN A 32 23.795 20.936 34.262 1.00 0.00 H new ATOM 0 HG2 GLN A 32 23.178 18.752 33.012 1.00 0.00 H new ATOM 0 HG3 GLN A 32 23.161 19.718 31.550 1.00 0.00 H new ATOM 0 HE21 GLN A 32 24.894 18.202 30.852 1.00 0.00 H new ATOM 0 HE22 GLN A 32 26.554 18.509 31.373 1.00 0.00 H new ATOM 506 N TYR A 33 21.232 23.154 34.483 1.00 0.00 N ATOM 507 CA TYR A 33 21.186 24.280 35.428 1.00 0.00 C ATOM 508 C TYR A 33 19.802 24.950 35.551 1.00 0.00 C ATOM 509 O TYR A 33 19.665 25.964 36.232 1.00 0.00 O ATOM 510 CB TYR A 33 22.323 25.263 35.097 1.00 0.00 C ATOM 511 CG TYR A 33 23.723 24.656 35.128 1.00 0.00 C ATOM 512 CD1 TYR A 33 24.248 24.161 36.340 1.00 0.00 C ATOM 513 CD2 TYR A 33 24.509 24.598 33.959 1.00 0.00 C ATOM 514 CE1 TYR A 33 25.547 23.617 36.385 1.00 0.00 C ATOM 515 CE2 TYR A 33 25.820 24.075 34.004 1.00 0.00 C ATOM 516 CZ TYR A 33 26.345 23.588 35.221 1.00 0.00 C ATOM 517 OH TYR A 33 27.611 23.089 35.288 1.00 0.00 O ATOM 0 H TYR A 33 21.091 23.432 33.512 1.00 0.00 H new ATOM 0 HA TYR A 33 21.350 23.884 36.430 1.00 0.00 H new ATOM 0 HB2 TYR A 33 22.146 25.682 34.106 1.00 0.00 H new ATOM 0 HB3 TYR A 33 22.286 26.091 35.804 1.00 0.00 H new ATOM 0 HD1 TYR A 33 23.651 24.199 37.239 1.00 0.00 H new ATOM 0 HD2 TYR A 33 24.106 24.956 33.023 1.00 0.00 H new ATOM 0 HE1 TYR A 33 25.933 23.221 37.313 1.00 0.00 H new ATOM 0 HE2 TYR A 33 26.421 24.047 33.107 1.00 0.00 H new ATOM 0 HH TYR A 33 28.088 23.296 34.457 1.00 0.00 H new ATOM 527 N GLY A 34 18.754 24.385 34.941 1.00 0.00 N ATOM 528 CA GLY A 34 17.373 24.891 35.002 1.00 0.00 C ATOM 529 C GLY A 34 17.005 25.820 33.836 1.00 0.00 C ATOM 530 O GLY A 34 17.865 26.481 33.243 1.00 0.00 O ATOM 0 H GLY A 34 18.843 23.541 34.376 1.00 0.00 H new ATOM 0 HA2 GLY A 34 16.685 24.045 35.012 1.00 0.00 H new ATOM 0 HA3 GLY A 34 17.233 25.427 35.941 1.00 0.00 H new ATOM 534 N LYS A 35 15.714 25.868 33.487 1.00 0.00 N ATOM 535 CA LYS A 35 15.214 26.437 32.219 1.00 0.00 C ATOM 536 C LYS A 35 15.394 27.952 32.051 1.00 0.00 C ATOM 537 O LYS A 35 15.287 28.438 30.927 1.00 0.00 O ATOM 538 CB LYS A 35 13.763 25.985 31.976 1.00 0.00 C ATOM 539 CG LYS A 35 12.717 26.835 32.714 1.00 0.00 C ATOM 540 CD LYS A 35 11.312 26.257 32.531 1.00 0.00 C ATOM 541 CE LYS A 35 10.269 27.232 33.080 1.00 0.00 C ATOM 542 NZ LYS A 35 8.927 26.609 33.145 1.00 0.00 N ATOM 0 H LYS A 35 14.970 25.508 34.085 1.00 0.00 H new ATOM 0 HA LYS A 35 15.857 26.030 31.439 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.556 26.019 30.906 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.659 24.946 32.288 1.00 0.00 H new ATOM 0 HG2 LYS A 35 12.961 26.877 33.775 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.745 27.858 32.339 1.00 0.00 H new ATOM 0 HD2 LYS A 35 11.123 26.067 31.475 1.00 0.00 H new ATOM 0 HD3 LYS A 35 11.234 25.300 33.046 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.567 27.563 34.075 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.230 28.119 32.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.243 27.296 33.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.634 26.316 32.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.960 25.777 33.768 1.00 0.00 H new ATOM 556 N SER A 36 15.710 28.678 33.126 1.00 0.00 N ATOM 557 CA SER A 36 16.042 30.116 33.110 1.00 0.00 C ATOM 558 C SER A 36 17.371 30.449 32.408 1.00 0.00 C ATOM 559 O SER A 36 17.659 31.621 32.163 1.00 0.00 O ATOM 560 CB SER A 36 16.162 30.647 34.545 1.00 0.00 C ATOM 561 OG SER A 36 15.022 30.359 35.338 1.00 0.00 O ATOM 0 H SER A 36 15.745 28.275 34.062 1.00 0.00 H new ATOM 0 HA SER A 36 15.229 30.583 32.554 1.00 0.00 H new ATOM 0 HB2 SER A 36 17.044 30.213 35.015 1.00 0.00 H new ATOM 0 HB3 SER A 36 16.315 31.726 34.516 1.00 0.00 H new ATOM 0 HG SER A 36 15.306 29.954 36.184 1.00 0.00 H new ATOM 567 N SER A 37 18.212 29.446 32.148 1.00 0.00 N ATOM 568 CA SER A 37 19.620 29.635 31.767 1.00 0.00 C ATOM 569 C SER A 37 19.823 30.095 30.315 1.00 0.00 C ATOM 570 O SER A 37 19.036 29.780 29.417 1.00 0.00 O ATOM 571 CB SER A 37 20.420 28.351 32.026 1.00 0.00 C ATOM 572 OG SER A 37 20.160 27.850 33.327 1.00 0.00 O ATOM 0 H SER A 37 17.934 28.466 32.196 1.00 0.00 H new ATOM 0 HA SER A 37 19.990 30.445 32.396 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.159 27.598 31.282 1.00 0.00 H new ATOM 0 HB3 SER A 37 21.485 28.552 31.915 1.00 0.00 H new ATOM 0 HG SER A 37 19.467 27.158 33.279 1.00 0.00 H new ATOM 578 N GLY A 38 20.929 30.800 30.081 1.00 0.00 N ATOM 579 CA GLY A 38 21.549 30.972 28.767 1.00 0.00 C ATOM 580 C GLY A 38 22.649 29.930 28.509 1.00 0.00 C ATOM 581 O GLY A 38 22.973 29.111 29.375 1.00 0.00 O ATOM 0 H GLY A 38 21.435 31.283 30.824 1.00 0.00 H new ATOM 0 HA2 GLY A 38 20.786 30.893 27.993 1.00 0.00 H new ATOM 0 HA3 GLY A 38 21.974 31.973 28.695 1.00 0.00 H new ATOM 585 N GLY A 39 23.246 29.965 27.317 1.00 0.00 N ATOM 586 CA GLY A 39 24.392 29.124 26.967 1.00 0.00 C ATOM 587 C GLY A 39 24.927 29.377 25.556 1.00 0.00 C ATOM 588 O GLY A 39 24.151 29.637 24.634 1.00 0.00 O ATOM 0 H GLY A 39 22.946 30.582 26.562 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.192 29.296 27.687 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.104 28.076 27.055 1.00 0.00 H new ATOM 592 N TYR A 40 26.252 29.323 25.399 1.00 0.00 N ATOM 593 CA TYR A 40 26.981 29.517 24.140 1.00 0.00 C ATOM 594 C TYR A 40 28.358 28.825 24.184 1.00 0.00 C ATOM 595 O TYR A 40 28.842 28.450 25.254 1.00 0.00 O ATOM 596 CB TYR A 40 27.091 31.020 23.815 1.00 0.00 C ATOM 597 CG TYR A 40 28.177 31.821 24.521 1.00 0.00 C ATOM 598 CD1 TYR A 40 28.087 32.098 25.900 1.00 0.00 C ATOM 599 CD2 TYR A 40 29.239 32.366 23.770 1.00 0.00 C ATOM 600 CE1 TYR A 40 29.055 32.911 26.526 1.00 0.00 C ATOM 601 CE2 TYR A 40 30.198 33.192 24.389 1.00 0.00 C ATOM 602 CZ TYR A 40 30.105 33.472 25.769 1.00 0.00 C ATOM 603 OH TYR A 40 31.028 34.277 26.361 1.00 0.00 O ATOM 0 H TYR A 40 26.877 29.134 26.183 1.00 0.00 H new ATOM 0 HA TYR A 40 26.421 29.046 23.332 1.00 0.00 H new ATOM 0 HB2 TYR A 40 27.246 31.120 22.741 1.00 0.00 H new ATOM 0 HB3 TYR A 40 26.131 31.483 24.043 1.00 0.00 H new ATOM 0 HD1 TYR A 40 27.274 31.686 26.480 1.00 0.00 H new ATOM 0 HD2 TYR A 40 29.318 32.149 22.715 1.00 0.00 H new ATOM 0 HE1 TYR A 40 28.992 33.104 27.587 1.00 0.00 H new ATOM 0 HE2 TYR A 40 31.005 33.611 23.807 1.00 0.00 H new ATOM 0 HH TYR A 40 31.680 34.574 25.692 1.00 0.00 H new ATOM 613 N CYS A 41 29.009 28.607 23.040 1.00 0.00 N ATOM 614 CA CYS A 41 30.209 27.756 22.967 1.00 0.00 C ATOM 615 C CYS A 41 31.529 28.509 23.231 1.00 0.00 C ATOM 616 O CYS A 41 32.410 28.545 22.372 1.00 0.00 O ATOM 617 CB CYS A 41 30.185 26.959 21.661 1.00 0.00 C ATOM 618 SG CYS A 41 28.748 25.863 21.518 1.00 0.00 S ATOM 0 H CYS A 41 28.728 29.008 22.145 1.00 0.00 H new ATOM 0 HA CYS A 41 30.176 27.045 23.792 1.00 0.00 H new ATOM 0 HB2 CYS A 41 30.190 27.652 20.820 1.00 0.00 H new ATOM 0 HB3 CYS A 41 31.096 26.364 21.589 1.00 0.00 H new ATOM 623 N TYR A 42 31.667 29.116 24.420 1.00 0.00 N ATOM 624 CA TYR A 42 32.753 30.056 24.767 1.00 0.00 C ATOM 625 C TYR A 42 34.174 29.484 24.594 1.00 0.00 C ATOM 626 O TYR A 42 35.073 30.191 24.139 1.00 0.00 O ATOM 627 CB TYR A 42 32.561 30.515 26.224 1.00 0.00 C ATOM 628 CG TYR A 42 33.734 31.296 26.795 1.00 0.00 C ATOM 629 CD1 TYR A 42 33.913 32.654 26.471 1.00 0.00 C ATOM 630 CD2 TYR A 42 34.683 30.646 27.608 1.00 0.00 C ATOM 631 CE1 TYR A 42 35.025 33.364 26.968 1.00 0.00 C ATOM 632 CE2 TYR A 42 35.814 31.342 28.074 1.00 0.00 C ATOM 633 CZ TYR A 42 35.991 32.705 27.754 1.00 0.00 C ATOM 634 OH TYR A 42 37.078 33.378 28.211 1.00 0.00 O ATOM 0 H TYR A 42 31.013 28.965 25.188 1.00 0.00 H new ATOM 0 HA TYR A 42 32.680 30.887 24.065 1.00 0.00 H new ATOM 0 HB2 TYR A 42 31.665 31.133 26.283 1.00 0.00 H new ATOM 0 HB3 TYR A 42 32.385 29.639 26.848 1.00 0.00 H new ATOM 0 HD1 TYR A 42 33.195 33.155 25.838 1.00 0.00 H new ATOM 0 HD2 TYR A 42 34.542 29.609 27.875 1.00 0.00 H new ATOM 0 HE1 TYR A 42 35.137 34.415 26.746 1.00 0.00 H new ATOM 0 HE2 TYR A 42 36.549 30.831 28.679 1.00 0.00 H new ATOM 0 HH TYR A 42 37.640 32.772 28.737 1.00 0.00 H new ATOM 644 N ALA A 43 34.381 28.211 24.944 1.00 0.00 N ATOM 645 CA ALA A 43 35.684 27.539 24.897 1.00 0.00 C ATOM 646 C ALA A 43 35.846 26.672 23.629 1.00 0.00 C ATOM 647 O ALA A 43 36.438 25.592 23.681 1.00 0.00 O ATOM 648 CB ALA A 43 35.868 26.758 26.208 1.00 0.00 C ATOM 0 H ALA A 43 33.631 27.605 25.275 1.00 0.00 H new ATOM 0 HA ALA A 43 36.484 28.276 24.820 1.00 0.00 H new ATOM 0 HB1 ALA A 43 36.832 26.249 26.196 1.00 0.00 H new ATOM 0 HB2 ALA A 43 35.833 27.448 27.051 1.00 0.00 H new ATOM 0 HB3 ALA A 43 35.070 26.022 26.308 1.00 0.00 H new ATOM 654 N PHE A 44 35.202 27.077 22.525 1.00 0.00 N ATOM 655 CA PHE A 44 34.813 26.250 21.364 1.00 0.00 C ATOM 656 C PHE A 44 33.842 25.092 21.691 1.00 0.00 C ATOM 657 O PHE A 44 33.188 24.573 20.791 1.00 0.00 O ATOM 658 CB PHE A 44 36.040 25.783 20.555 1.00 0.00 C ATOM 659 CG PHE A 44 36.948 26.900 20.066 1.00 0.00 C ATOM 660 CD1 PHE A 44 36.690 27.535 18.836 1.00 0.00 C ATOM 661 CD2 PHE A 44 38.050 27.311 20.842 1.00 0.00 C ATOM 662 CE1 PHE A 44 37.520 28.581 18.392 1.00 0.00 C ATOM 663 CE2 PHE A 44 38.873 28.365 20.403 1.00 0.00 C ATOM 664 CZ PHE A 44 38.606 29.004 19.179 1.00 0.00 C ATOM 0 H PHE A 44 34.920 28.050 22.408 1.00 0.00 H new ATOM 0 HA PHE A 44 34.231 26.915 20.726 1.00 0.00 H new ATOM 0 HB2 PHE A 44 36.626 25.102 21.172 1.00 0.00 H new ATOM 0 HB3 PHE A 44 35.693 25.213 19.693 1.00 0.00 H new ATOM 0 HD1 PHE A 44 35.853 27.218 18.232 1.00 0.00 H new ATOM 0 HD2 PHE A 44 38.264 26.815 21.777 1.00 0.00 H new ATOM 0 HE1 PHE A 44 37.323 29.060 17.444 1.00 0.00 H new ATOM 0 HE2 PHE A 44 39.710 28.683 21.007 1.00 0.00 H new ATOM 0 HZ PHE A 44 39.233 29.817 18.844 1.00 0.00 H new ATOM 674 N ALA A 45 33.681 24.725 22.964 1.00 0.00 N ATOM 675 CA ALA A 45 32.683 23.793 23.490 1.00 0.00 C ATOM 676 C ALA A 45 31.720 24.498 24.472 1.00 0.00 C ATOM 677 O ALA A 45 31.977 25.619 24.921 1.00 0.00 O ATOM 678 CB ALA A 45 33.426 22.610 24.119 1.00 0.00 C ATOM 0 H ALA A 45 34.282 25.094 23.701 1.00 0.00 H new ATOM 0 HA ALA A 45 32.047 23.418 22.688 1.00 0.00 H new ATOM 0 HB1 ALA A 45 32.704 21.898 24.520 1.00 0.00 H new ATOM 0 HB2 ALA A 45 34.037 22.119 23.361 1.00 0.00 H new ATOM 0 HB3 ALA A 45 34.067 22.969 24.924 1.00 0.00 H new ATOM 684 N CYS A 46 30.595 23.850 24.790 1.00 0.00 N ATOM 685 CA CYS A 46 29.442 24.491 25.440 1.00 0.00 C ATOM 686 C CYS A 46 29.687 25.001 26.882 1.00 0.00 C ATOM 687 O CYS A 46 30.205 24.268 27.732 1.00 0.00 O ATOM 688 CB CYS A 46 28.258 23.520 25.402 1.00 0.00 C ATOM 689 SG CYS A 46 26.722 24.195 26.072 1.00 0.00 S ATOM 0 H CYS A 46 30.455 22.857 24.603 1.00 0.00 H new ATOM 0 HA CYS A 46 29.235 25.398 24.872 1.00 0.00 H new ATOM 0 HB2 CYS A 46 28.087 23.214 24.370 1.00 0.00 H new ATOM 0 HB3 CYS A 46 28.521 22.622 25.961 1.00 0.00 H new ATOM 694 N TRP A 47 29.247 26.238 27.149 1.00 0.00 N ATOM 695 CA TRP A 47 29.314 26.997 28.409 1.00 0.00 C ATOM 696 C TRP A 47 27.948 27.657 28.703 1.00 0.00 C ATOM 697 O TRP A 47 27.218 28.005 27.778 1.00 0.00 O ATOM 698 CB TRP A 47 30.447 28.032 28.265 1.00 0.00 C ATOM 699 CG TRP A 47 30.563 29.111 29.299 1.00 0.00 C ATOM 700 CD1 TRP A 47 29.955 30.317 29.223 1.00 0.00 C ATOM 701 CD2 TRP A 47 31.361 29.148 30.525 1.00 0.00 C ATOM 702 NE1 TRP A 47 30.311 31.095 30.307 1.00 0.00 N ATOM 703 CE2 TRP A 47 31.174 30.420 31.146 1.00 0.00 C ATOM 704 CE3 TRP A 47 32.248 28.253 31.166 1.00 0.00 C ATOM 705 CZ2 TRP A 47 31.817 30.766 32.346 1.00 0.00 C ATOM 706 CZ3 TRP A 47 32.857 28.574 32.394 1.00 0.00 C ATOM 707 CH2 TRP A 47 32.630 29.822 32.994 1.00 0.00 C ATOM 0 H TRP A 47 28.791 26.786 26.420 1.00 0.00 H new ATOM 0 HA TRP A 47 29.531 26.346 29.256 1.00 0.00 H new ATOM 0 HB2 TRP A 47 31.392 27.489 28.244 1.00 0.00 H new ATOM 0 HB3 TRP A 47 30.335 28.514 27.294 1.00 0.00 H new ATOM 0 HD1 TRP A 47 29.289 30.626 28.431 1.00 0.00 H new ATOM 0 HE1 TRP A 47 29.979 32.046 30.467 1.00 0.00 H new ATOM 0 HE3 TRP A 47 32.463 27.301 30.703 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 31.687 31.752 32.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 33.503 27.856 32.877 1.00 0.00 H new ATOM 0 HH2 TRP A 47 33.078 30.055 33.949 1.00 0.00 H new ATOM 718 N CYS A 48 27.588 27.812 29.980 1.00 0.00 N ATOM 719 CA CYS A 48 26.231 28.102 30.461 1.00 0.00 C ATOM 720 C CYS A 48 26.159 29.385 31.304 1.00 0.00 C ATOM 721 O CYS A 48 27.058 29.678 32.097 1.00 0.00 O ATOM 722 CB CYS A 48 25.723 26.903 31.270 1.00 0.00 C ATOM 723 SG CYS A 48 25.790 25.307 30.413 1.00 0.00 S ATOM 0 H CYS A 48 28.262 27.736 30.741 1.00 0.00 H new ATOM 0 HA CYS A 48 25.597 28.270 29.591 1.00 0.00 H new ATOM 0 HB2 CYS A 48 26.308 26.830 32.187 1.00 0.00 H new ATOM 0 HB3 CYS A 48 24.692 27.095 31.565 1.00 0.00 H new ATOM 728 N THR A 49 25.091 30.167 31.125 1.00 0.00 N ATOM 729 CA THR A 49 25.088 31.601 31.467 1.00 0.00 C ATOM 730 C THR A 49 23.771 32.090 32.082 1.00 0.00 C ATOM 731 O THR A 49 22.790 31.348 32.152 1.00 0.00 O ATOM 732 CB THR A 49 25.476 32.443 30.237 1.00 0.00 C ATOM 733 OG1 THR A 49 24.475 32.395 29.251 1.00 0.00 O ATOM 734 CG2 THR A 49 26.763 31.950 29.571 1.00 0.00 C ATOM 0 H THR A 49 24.207 29.832 30.742 1.00 0.00 H new ATOM 0 HA THR A 49 25.838 31.734 32.247 1.00 0.00 H new ATOM 0 HB THR A 49 25.614 33.456 30.616 1.00 0.00 H new ATOM 0 HG1 THR A 49 24.746 32.939 28.483 1.00 0.00 H new ATOM 0 HG21 THR A 49 26.991 32.578 28.710 1.00 0.00 H new ATOM 0 HG22 THR A 49 27.585 32.001 30.285 1.00 0.00 H new ATOM 0 HG23 THR A 49 26.631 30.919 29.243 1.00 0.00 H new ATOM 742 N HIS A 50 23.756 33.335 32.580 1.00 0.00 N ATOM 743 CA HIS A 50 22.660 33.943 33.361 1.00 0.00 C ATOM 744 C HIS A 50 22.210 33.099 34.563 1.00 0.00 C ATOM 745 O HIS A 50 21.027 33.063 34.910 1.00 0.00 O ATOM 746 CB HIS A 50 21.492 34.361 32.456 1.00 0.00 C ATOM 747 CG HIS A 50 21.887 35.304 31.354 1.00 0.00 C ATOM 748 ND1 HIS A 50 22.436 36.581 31.526 1.00 0.00 N ATOM 749 CD2 HIS A 50 21.779 35.045 30.022 1.00 0.00 C ATOM 750 CE1 HIS A 50 22.650 37.056 30.288 1.00 0.00 C ATOM 751 NE2 HIS A 50 22.261 36.154 29.371 1.00 0.00 N ATOM 0 H HIS A 50 24.538 33.976 32.446 1.00 0.00 H new ATOM 0 HA HIS A 50 23.070 34.851 33.803 1.00 0.00 H new ATOM 0 HB2 HIS A 50 21.048 33.468 32.016 1.00 0.00 H new ATOM 0 HB3 HIS A 50 20.722 34.832 33.067 1.00 0.00 H new ATOM 0 HD2 HIS A 50 21.391 34.146 29.567 1.00 0.00 H new ATOM 0 HE1 HIS A 50 23.074 38.023 30.062 1.00 0.00 H new ATOM 0 HE2 HIS A 50 22.315 36.273 28.359 1.00 0.00 H new ATOM 759 N LEU A 51 23.152 32.414 35.209 1.00 0.00 N ATOM 760 CA LEU A 51 22.876 31.544 36.349 1.00 0.00 C ATOM 761 C LEU A 51 22.619 32.380 37.612 1.00 0.00 C ATOM 762 O LEU A 51 23.109 33.508 37.739 1.00 0.00 O ATOM 763 CB LEU A 51 24.015 30.520 36.520 1.00 0.00 C ATOM 764 CG LEU A 51 24.376 29.740 35.236 1.00 0.00 C ATOM 765 CD1 LEU A 51 25.488 28.737 35.533 1.00 0.00 C ATOM 766 CD2 LEU A 51 23.188 28.971 34.658 1.00 0.00 C ATOM 0 H LEU A 51 24.139 32.448 34.952 1.00 0.00 H new ATOM 0 HA LEU A 51 21.965 30.974 36.166 1.00 0.00 H new ATOM 0 HB2 LEU A 51 24.904 31.041 36.875 1.00 0.00 H new ATOM 0 HB3 LEU A 51 23.732 29.808 37.295 1.00 0.00 H new ATOM 0 HG LEU A 51 24.696 30.481 34.504 1.00 0.00 H new ATOM 0 HD11 LEU A 51 25.738 28.191 34.623 1.00 0.00 H new ATOM 0 HD12 LEU A 51 26.370 29.267 35.891 1.00 0.00 H new ATOM 0 HD13 LEU A 51 25.151 28.036 36.297 1.00 0.00 H new ATOM 0 HD21 LEU A 51 23.500 28.442 33.757 1.00 0.00 H new ATOM 0 HD22 LEU A 51 22.827 28.253 35.394 1.00 0.00 H new ATOM 0 HD23 LEU A 51 22.389 29.669 34.410 1.00 0.00 H new ATOM 778 N TYR A 52 21.831 31.845 38.541 1.00 0.00 N ATOM 779 CA TYR A 52 21.561 32.470 39.837 1.00 0.00 C ATOM 780 C TYR A 52 22.737 32.248 40.805 1.00 0.00 C ATOM 781 O TYR A 52 23.476 31.264 40.710 1.00 0.00 O ATOM 782 CB TYR A 52 20.230 31.944 40.407 1.00 0.00 C ATOM 783 CG TYR A 52 19.011 32.157 39.515 1.00 0.00 C ATOM 784 CD1 TYR A 52 18.516 33.455 39.278 1.00 0.00 C ATOM 785 CD2 TYR A 52 18.353 31.053 38.933 1.00 0.00 C ATOM 786 CE1 TYR A 52 17.398 33.649 38.439 1.00 0.00 C ATOM 787 CE2 TYR A 52 17.236 31.243 38.096 1.00 0.00 C ATOM 788 CZ TYR A 52 16.761 32.546 37.831 1.00 0.00 C ATOM 789 OH TYR A 52 15.707 32.744 36.991 1.00 0.00 O ATOM 0 H TYR A 52 21.354 30.952 38.415 1.00 0.00 H new ATOM 0 HA TYR A 52 21.461 33.547 39.703 1.00 0.00 H new ATOM 0 HB2 TYR A 52 20.334 30.877 40.604 1.00 0.00 H new ATOM 0 HB3 TYR A 52 20.047 32.429 41.366 1.00 0.00 H new ATOM 0 HD1 TYR A 52 18.995 34.305 39.741 1.00 0.00 H new ATOM 0 HD2 TYR A 52 18.709 30.053 39.131 1.00 0.00 H new ATOM 0 HE1 TYR A 52 17.028 34.648 38.261 1.00 0.00 H new ATOM 0 HE2 TYR A 52 16.742 30.390 37.656 1.00 0.00 H new ATOM 0 HH TYR A 52 15.387 31.880 36.658 1.00 0.00 H new ATOM 799 N GLU A 53 22.899 33.128 41.793 1.00 0.00 N ATOM 800 CA GLU A 53 23.956 33.001 42.812 1.00 0.00 C ATOM 801 C GLU A 53 23.766 31.770 43.720 1.00 0.00 C ATOM 802 O GLU A 53 24.724 31.304 44.327 1.00 0.00 O ATOM 803 CB GLU A 53 24.062 34.294 43.635 1.00 0.00 C ATOM 804 CG GLU A 53 24.630 35.448 42.799 1.00 0.00 C ATOM 805 CD GLU A 53 24.662 36.761 43.584 1.00 0.00 C ATOM 806 OE1 GLU A 53 25.374 36.847 44.615 1.00 0.00 O ATOM 807 OE2 GLU A 53 23.987 37.730 43.153 1.00 0.00 O ATOM 0 H GLU A 53 22.306 33.949 41.915 1.00 0.00 H new ATOM 0 HA GLU A 53 24.896 32.844 42.284 1.00 0.00 H new ATOM 0 HB2 GLU A 53 23.077 34.568 44.013 1.00 0.00 H new ATOM 0 HB3 GLU A 53 24.700 34.123 44.502 1.00 0.00 H new ATOM 0 HG2 GLU A 53 25.639 35.196 42.471 1.00 0.00 H new ATOM 0 HG3 GLU A 53 24.026 35.577 41.901 1.00 0.00 H new ATOM 814 N GLN A 54 22.570 31.179 43.752 1.00 0.00 N ATOM 815 CA GLN A 54 22.304 29.895 44.402 1.00 0.00 C ATOM 816 C GLN A 54 22.983 28.693 43.698 1.00 0.00 C ATOM 817 O GLN A 54 23.185 27.653 44.324 1.00 0.00 O ATOM 818 CB GLN A 54 20.774 29.738 44.495 1.00 0.00 C ATOM 819 CG GLN A 54 20.345 28.571 45.392 1.00 0.00 C ATOM 820 CD GLN A 54 18.835 28.441 45.576 1.00 0.00 C ATOM 821 OE1 GLN A 54 18.021 29.312 45.261 1.00 0.00 O ATOM 822 NE2 GLN A 54 18.413 27.336 46.136 1.00 0.00 N ATOM 0 H GLN A 54 21.743 31.588 43.318 1.00 0.00 H new ATOM 0 HA GLN A 54 22.747 29.895 45.398 1.00 0.00 H new ATOM 0 HB2 GLN A 54 20.342 30.662 44.879 1.00 0.00 H new ATOM 0 HB3 GLN A 54 20.368 29.588 43.495 1.00 0.00 H new ATOM 0 HG2 GLN A 54 20.729 27.643 44.969 1.00 0.00 H new ATOM 0 HG3 GLN A 54 20.809 28.691 46.371 1.00 0.00 H new ATOM 0 HE21 GLN A 54 19.080 26.611 46.399 1.00 0.00 H new ATOM 0 HE22 GLN A 54 17.417 27.200 46.309 1.00 0.00 H new ATOM 831 N ALA A 55 23.350 28.801 42.414 1.00 0.00 N ATOM 832 CA ALA A 55 23.882 27.680 41.630 1.00 0.00 C ATOM 833 C ALA A 55 25.346 27.312 41.969 1.00 0.00 C ATOM 834 O ALA A 55 26.151 28.168 42.350 1.00 0.00 O ATOM 835 CB ALA A 55 23.706 27.989 40.137 1.00 0.00 C ATOM 0 H ALA A 55 23.286 29.673 41.888 1.00 0.00 H new ATOM 0 HA ALA A 55 23.309 26.792 41.898 1.00 0.00 H new ATOM 0 HB1 ALA A 55 24.098 27.162 39.546 1.00 0.00 H new ATOM 0 HB2 ALA A 55 22.647 28.123 39.916 1.00 0.00 H new ATOM 0 HB3 ALA A 55 24.247 28.902 39.888 1.00 0.00 H new ATOM 841 N VAL A 56 25.695 26.038 41.754 1.00 0.00 N ATOM 842 CA VAL A 56 27.044 25.450 41.885 1.00 0.00 C ATOM 843 C VAL A 56 27.437 24.735 40.583 1.00 0.00 C ATOM 844 O VAL A 56 26.625 23.994 40.018 1.00 0.00 O ATOM 845 CB VAL A 56 27.112 24.538 43.130 1.00 0.00 C ATOM 846 CG1 VAL A 56 26.037 23.441 43.177 1.00 0.00 C ATOM 847 CG2 VAL A 56 28.483 23.873 43.286 1.00 0.00 C ATOM 0 H VAL A 56 25.005 25.344 41.466 1.00 0.00 H new ATOM 0 HA VAL A 56 27.780 26.239 42.041 1.00 0.00 H new ATOM 0 HB VAL A 56 26.926 25.223 43.957 1.00 0.00 H new ATOM 0 HG11 VAL A 56 26.160 22.849 44.084 1.00 0.00 H new ATOM 0 HG12 VAL A 56 25.048 23.900 43.175 1.00 0.00 H new ATOM 0 HG13 VAL A 56 26.139 22.794 42.305 1.00 0.00 H new ATOM 0 HG21 VAL A 56 28.482 23.242 44.175 1.00 0.00 H new ATOM 0 HG22 VAL A 56 28.693 23.263 42.408 1.00 0.00 H new ATOM 0 HG23 VAL A 56 29.250 24.641 43.387 1.00 0.00 H new ATOM 857 N VAL A 57 28.643 24.989 40.060 1.00 0.00 N ATOM 858 CA VAL A 57 28.975 24.761 38.632 1.00 0.00 C ATOM 859 C VAL A 57 30.377 24.192 38.382 1.00 0.00 C ATOM 860 O VAL A 57 31.299 24.424 39.165 1.00 0.00 O ATOM 861 CB VAL A 57 28.825 26.066 37.819 1.00 0.00 C ATOM 862 CG1 VAL A 57 27.400 26.627 37.870 1.00 0.00 C ATOM 863 CG2 VAL A 57 29.784 27.181 38.266 1.00 0.00 C ATOM 0 H VAL A 57 29.421 25.358 40.607 1.00 0.00 H new ATOM 0 HA VAL A 57 28.261 24.006 38.303 1.00 0.00 H new ATOM 0 HB VAL A 57 29.075 25.770 36.800 1.00 0.00 H new ATOM 0 HG11 VAL A 57 27.349 27.544 37.283 1.00 0.00 H new ATOM 0 HG12 VAL A 57 26.705 25.894 37.460 1.00 0.00 H new ATOM 0 HG13 VAL A 57 27.131 26.843 38.904 1.00 0.00 H new ATOM 0 HG21 VAL A 57 29.623 28.067 37.652 1.00 0.00 H new ATOM 0 HG22 VAL A 57 29.596 27.425 39.312 1.00 0.00 H new ATOM 0 HG23 VAL A 57 30.814 26.843 38.152 1.00 0.00 H new ATOM 873 N TRP A 58 30.566 23.510 37.247 1.00 0.00 N ATOM 874 CA TRP A 58 31.878 23.031 36.795 1.00 0.00 C ATOM 875 C TRP A 58 32.746 24.167 36.202 1.00 0.00 C ATOM 876 O TRP A 58 32.267 24.882 35.315 1.00 0.00 O ATOM 877 CB TRP A 58 31.679 21.904 35.768 1.00 0.00 C ATOM 878 CG TRP A 58 32.901 21.105 35.412 1.00 0.00 C ATOM 879 CD1 TRP A 58 33.789 20.601 36.297 1.00 0.00 C ATOM 880 CD2 TRP A 58 33.351 20.634 34.100 1.00 0.00 C ATOM 881 NE1 TRP A 58 34.768 19.893 35.632 1.00 0.00 N ATOM 882 CE2 TRP A 58 34.530 19.848 34.278 1.00 0.00 C ATOM 883 CE3 TRP A 58 32.863 20.752 32.779 1.00 0.00 C ATOM 884 CZ2 TRP A 58 35.184 19.212 33.213 1.00 0.00 C ATOM 885 CZ3 TRP A 58 33.508 20.115 31.702 1.00 0.00 C ATOM 886 CH2 TRP A 58 34.669 19.351 31.914 1.00 0.00 C ATOM 0 H TRP A 58 29.806 23.273 36.610 1.00 0.00 H new ATOM 0 HA TRP A 58 32.417 22.649 37.662 1.00 0.00 H new ATOM 0 HB2 TRP A 58 30.923 21.220 36.153 1.00 0.00 H new ATOM 0 HB3 TRP A 58 31.278 22.341 34.854 1.00 0.00 H new ATOM 0 HD1 TRP A 58 33.739 20.733 37.368 1.00 0.00 H new ATOM 0 HE1 TRP A 58 35.569 19.457 36.088 1.00 0.00 H new ATOM 0 HE3 TRP A 58 31.978 21.342 32.592 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 36.072 18.623 33.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 33.107 20.214 30.704 1.00 0.00 H new ATOM 0 HH2 TRP A 58 35.163 18.873 31.081 1.00 0.00 H new ATOM 897 N PRO A 59 34.012 24.349 36.635 1.00 0.00 N ATOM 898 CA PRO A 59 34.953 25.283 36.014 1.00 0.00 C ATOM 899 C PRO A 59 35.750 24.636 34.866 1.00 0.00 C ATOM 900 O PRO A 59 36.086 23.449 34.914 1.00 0.00 O ATOM 901 CB PRO A 59 35.861 25.736 37.154 1.00 0.00 C ATOM 902 CG PRO A 59 35.954 24.491 38.035 1.00 0.00 C ATOM 903 CD PRO A 59 34.587 23.821 37.868 1.00 0.00 C ATOM 0 HA PRO A 59 34.436 26.121 35.546 1.00 0.00 H new ATOM 0 HB2 PRO A 59 36.840 26.047 36.791 1.00 0.00 H new ATOM 0 HB3 PRO A 59 35.438 26.582 37.695 1.00 0.00 H new ATOM 0 HG2 PRO A 59 36.763 23.834 37.715 1.00 0.00 H new ATOM 0 HG3 PRO A 59 36.147 24.751 39.076 1.00 0.00 H new ATOM 0 HD2 PRO A 59 34.691 22.737 37.814 1.00 0.00 H new ATOM 0 HD3 PRO A 59 33.943 24.038 38.720 1.00 0.00 H new ATOM 911 N LEU A 60 36.105 25.436 33.854 1.00 0.00 N ATOM 912 CA LEU A 60 36.804 24.999 32.636 1.00 0.00 C ATOM 913 C LEU A 60 38.156 24.319 32.975 1.00 0.00 C ATOM 914 O LEU A 60 39.043 25.001 33.501 1.00 0.00 O ATOM 915 CB LEU A 60 36.973 26.237 31.724 1.00 0.00 C ATOM 916 CG LEU A 60 37.830 26.065 30.453 1.00 0.00 C ATOM 917 CD1 LEU A 60 37.221 25.086 29.456 1.00 0.00 C ATOM 918 CD2 LEU A 60 37.977 27.417 29.754 1.00 0.00 C ATOM 0 H LEU A 60 35.908 26.437 33.859 1.00 0.00 H new ATOM 0 HA LEU A 60 36.223 24.241 32.110 1.00 0.00 H new ATOM 0 HB2 LEU A 60 35.981 26.570 31.420 1.00 0.00 H new ATOM 0 HB3 LEU A 60 37.410 27.038 32.320 1.00 0.00 H new ATOM 0 HG LEU A 60 38.793 25.669 30.775 1.00 0.00 H new ATOM 0 HD11 LEU A 60 37.868 25.006 28.583 1.00 0.00 H new ATOM 0 HD12 LEU A 60 37.120 24.106 29.923 1.00 0.00 H new ATOM 0 HD13 LEU A 60 36.239 25.444 29.148 1.00 0.00 H new ATOM 0 HD21 LEU A 60 38.582 27.298 28.855 1.00 0.00 H new ATOM 0 HD22 LEU A 60 36.992 27.794 29.480 1.00 0.00 H new ATOM 0 HD23 LEU A 60 38.462 28.124 30.427 1.00 0.00 H new ATOM 930 N PRO A 61 38.353 23.017 32.684 1.00 0.00 N ATOM 931 CA PRO A 61 39.628 22.332 32.905 1.00 0.00 C ATOM 932 C PRO A 61 40.754 22.882 32.013 1.00 0.00 C ATOM 933 O PRO A 61 40.511 23.505 30.975 1.00 0.00 O ATOM 934 CB PRO A 61 39.352 20.844 32.647 1.00 0.00 C ATOM 935 CG PRO A 61 38.145 20.849 31.716 1.00 0.00 C ATOM 936 CD PRO A 61 37.364 22.074 32.176 1.00 0.00 C ATOM 0 HA PRO A 61 39.988 22.495 33.921 1.00 0.00 H new ATOM 0 HB2 PRO A 61 40.209 20.353 32.186 1.00 0.00 H new ATOM 0 HB3 PRO A 61 39.139 20.311 33.574 1.00 0.00 H new ATOM 0 HG2 PRO A 61 38.442 20.929 30.670 1.00 0.00 H new ATOM 0 HG3 PRO A 61 37.557 19.936 31.812 1.00 0.00 H new ATOM 0 HD2 PRO A 61 36.799 22.508 31.351 1.00 0.00 H new ATOM 0 HD3 PRO A 61 36.644 21.809 32.951 1.00 0.00 H new ATOM 944 N ASN A 62 42.007 22.638 32.402 1.00 0.00 N ATOM 945 CA ASN A 62 43.194 23.031 31.636 1.00 0.00 C ATOM 946 C ASN A 62 43.328 22.216 30.337 1.00 0.00 C ATOM 947 O ASN A 62 43.618 22.781 29.282 1.00 0.00 O ATOM 948 CB ASN A 62 44.425 22.859 32.538 1.00 0.00 C ATOM 949 CG ASN A 62 45.689 23.313 31.838 1.00 0.00 C ATOM 950 OD1 ASN A 62 46.351 22.549 31.151 1.00 0.00 O ATOM 951 ND2 ASN A 62 46.029 24.572 31.938 1.00 0.00 N ATOM 0 H ASN A 62 42.230 22.154 33.272 1.00 0.00 H new ATOM 0 HA ASN A 62 43.103 24.074 31.331 1.00 0.00 H new ATOM 0 HB2 ASN A 62 44.289 23.432 33.455 1.00 0.00 H new ATOM 0 HB3 ASN A 62 44.523 21.813 32.827 1.00 0.00 H new ATOM 0 HD21 ASN A 62 46.849 24.920 31.442 1.00 0.00 H new ATOM 0 HD22 ASN A 62 45.474 25.206 32.512 1.00 0.00 H new ATOM 958 N LYS A 63 43.082 20.903 30.440 1.00 0.00 N ATOM 959 CA LYS A 63 42.968 19.927 29.347 1.00 0.00 C ATOM 960 C LYS A 63 42.125 18.745 29.848 1.00 0.00 C ATOM 961 O LYS A 63 42.291 18.325 30.997 1.00 0.00 O ATOM 962 CB LYS A 63 44.381 19.477 28.923 1.00 0.00 C ATOM 963 CG LYS A 63 44.414 18.832 27.529 1.00 0.00 C ATOM 964 CD LYS A 63 45.780 18.222 27.170 1.00 0.00 C ATOM 965 CE LYS A 63 46.958 19.195 27.332 1.00 0.00 C ATOM 966 NZ LYS A 63 48.221 18.609 26.821 1.00 0.00 N ATOM 0 H LYS A 63 42.948 20.464 31.351 1.00 0.00 H new ATOM 0 HA LYS A 63 42.480 20.363 28.475 1.00 0.00 H new ATOM 0 HB2 LYS A 63 45.049 20.338 28.934 1.00 0.00 H new ATOM 0 HB3 LYS A 63 44.765 18.766 29.655 1.00 0.00 H new ATOM 0 HG2 LYS A 63 43.652 18.054 27.479 1.00 0.00 H new ATOM 0 HG3 LYS A 63 44.152 19.583 26.783 1.00 0.00 H new ATOM 0 HD2 LYS A 63 45.954 17.349 27.799 1.00 0.00 H new ATOM 0 HD3 LYS A 63 45.750 17.871 26.138 1.00 0.00 H new ATOM 0 HE2 LYS A 63 46.743 20.121 26.798 1.00 0.00 H new ATOM 0 HE3 LYS A 63 47.075 19.454 28.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 48.996 19.292 26.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 48.438 17.739 27.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 48.116 18.385 25.811 1.00 0.00 H new ATOM 980 N THR A 64 41.214 18.211 29.038 1.00 0.00 N ATOM 981 CA THR A 64 40.305 17.117 29.445 1.00 0.00 C ATOM 982 C THR A 64 40.142 16.041 28.367 1.00 0.00 C ATOM 983 O THR A 64 40.541 16.237 27.217 1.00 0.00 O ATOM 984 CB THR A 64 38.953 17.695 29.911 1.00 0.00 C ATOM 985 OG1 THR A 64 38.228 16.721 30.626 1.00 0.00 O ATOM 986 CG2 THR A 64 38.053 18.221 28.796 1.00 0.00 C ATOM 0 H THR A 64 41.077 18.519 28.075 1.00 0.00 H new ATOM 0 HA THR A 64 40.765 16.603 30.289 1.00 0.00 H new ATOM 0 HB THR A 64 39.222 18.549 30.533 1.00 0.00 H new ATOM 0 HG1 THR A 64 37.294 16.724 30.328 1.00 0.00 H new ATOM 0 HG21 THR A 64 37.128 18.605 29.226 1.00 0.00 H new ATOM 0 HG22 THR A 64 38.565 19.021 28.262 1.00 0.00 H new ATOM 0 HG23 THR A 64 37.822 17.412 28.103 1.00 0.00 H new ATOM 994 N CYS A 65 39.553 14.902 28.745 1.00 0.00 N ATOM 995 CA CYS A 65 39.158 13.810 27.856 1.00 0.00 C ATOM 996 C CYS A 65 38.448 14.325 26.591 1.00 0.00 C ATOM 997 O CYS A 65 37.523 15.138 26.662 1.00 0.00 O ATOM 998 CB CYS A 65 38.267 12.859 28.673 1.00 0.00 C ATOM 999 SG CYS A 65 37.420 11.508 27.802 1.00 0.00 S ATOM 0 H CYS A 65 39.330 14.710 29.722 1.00 0.00 H new ATOM 0 HA CYS A 65 40.039 13.281 27.493 1.00 0.00 H new ATOM 0 HB2 CYS A 65 38.884 12.415 29.454 1.00 0.00 H new ATOM 0 HB3 CYS A 65 37.507 13.461 29.171 1.00 0.00 H new ATOM 1004 N ASN A 66 38.895 13.838 25.433 1.00 0.00 N ATOM 1005 CA ASN A 66 38.426 14.229 24.100 1.00 0.00 C ATOM 1006 C ASN A 66 38.514 13.034 23.112 1.00 0.00 C ATOM 1007 O ASN A 66 38.646 13.190 21.901 1.00 0.00 O ATOM 1008 CB ASN A 66 39.224 15.494 23.714 1.00 0.00 C ATOM 1009 CG ASN A 66 39.008 15.995 22.299 1.00 0.00 C ATOM 1010 OD1 ASN A 66 39.930 16.032 21.492 1.00 0.00 O ATOM 1011 ND2 ASN A 66 37.817 16.430 21.963 1.00 0.00 N ATOM 0 H ASN A 66 39.627 13.128 25.395 1.00 0.00 H new ATOM 0 HA ASN A 66 37.367 14.486 24.073 1.00 0.00 H new ATOM 0 HB2 ASN A 66 38.963 16.293 24.408 1.00 0.00 H new ATOM 0 HB3 ASN A 66 40.286 15.288 23.850 1.00 0.00 H new ATOM 0 HD21 ASN A 66 37.655 16.801 21.027 1.00 0.00 H new ATOM 0 HD22 ASN A 66 37.053 16.397 22.638 1.00 0.00 H new HETATM 1018 N NH2 A 67 38.462 11.805 23.610 1.00 0.00 N TER 1021 NH2 A 67