USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 411 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -122:sc= 0.138 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 157:sc= -1.57! (180deg=-2.56!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ -141:sc= 0.764 (180deg=0.105) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 150:sc= -1.21 USER MOD Single : A 50 HIS :FLIP no HE2:sc= -2.05 F(o=-5.6!,f=-2.1) USER MOD Single : A 52 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4!) USER MOD Single : A 56 LYS NZ :NH3+ 167:sc= -0.0339 (180deg=-0.201) USER MOD Single : A 59 HIS : no HD1:sc= -0.367 X(o=-0.37,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -2.005 0.155 -7.096 1.00 0.00 N ATOM 2 CA ALA A 1 -1.554 -0.755 -6.018 1.00 0.00 C ATOM 3 C ALA A 1 -1.054 0.052 -4.828 1.00 0.00 C ATOM 4 O ALA A 1 -1.178 1.278 -4.815 1.00 0.00 O ATOM 5 CB ALA A 1 -0.468 -1.690 -6.526 1.00 0.00 C ATOM 0 H1 ALA A 1 -3.001 -0.041 -7.321 1.00 0.00 H new ATOM 0 H2 ALA A 1 -1.909 1.141 -6.781 1.00 0.00 H new ATOM 0 H3 ALA A 1 -1.422 0.004 -7.944 1.00 0.00 H new ATOM 0 HA ALA A 1 -2.400 -1.362 -5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.150 -2.350 -5.719 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.858 -2.286 -7.351 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.384 -1.104 -6.872 1.00 0.00 H new ATOM 13 N MET A 2 -0.499 -0.644 -3.831 1.00 0.00 N ATOM 14 CA MET A 2 0.012 -0.005 -2.618 1.00 0.00 C ATOM 15 C MET A 2 -1.102 0.758 -1.916 1.00 0.00 C ATOM 16 O MET A 2 -0.996 1.962 -1.664 1.00 0.00 O ATOM 17 CB MET A 2 1.182 0.932 -2.937 1.00 0.00 C ATOM 18 CG MET A 2 2.392 0.221 -3.517 1.00 0.00 C ATOM 19 SD MET A 2 3.092 -0.988 -2.380 1.00 0.00 S ATOM 20 CE MET A 2 4.491 -1.569 -3.333 1.00 0.00 C ATOM 0 H MET A 2 -0.392 -1.658 -3.843 1.00 0.00 H new ATOM 0 HA MET A 2 0.379 -0.786 -1.952 1.00 0.00 H new ATOM 0 HB2 MET A 2 0.846 1.692 -3.642 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.479 1.452 -2.026 1.00 0.00 H new ATOM 0 HG2 MET A 2 2.107 -0.278 -4.443 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.154 0.957 -3.774 1.00 0.00 H new ATOM 0 HE1 MET A 2 5.030 -2.326 -2.763 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.139 -2.002 -4.269 1.00 0.00 H new ATOM 0 HE3 MET A 2 5.157 -0.733 -3.548 1.00 0.00 H new ATOM 30 N GLY A 3 -2.184 0.052 -1.623 1.00 0.00 N ATOM 31 CA GLY A 3 -3.313 0.679 -0.976 1.00 0.00 C ATOM 32 C GLY A 3 -4.436 0.949 -1.947 1.00 0.00 C ATOM 33 O GLY A 3 -4.208 1.082 -3.150 1.00 0.00 O ATOM 0 H GLY A 3 -2.298 -0.942 -1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -3.674 0.037 -0.172 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.995 1.616 -0.518 1.00 0.00 H new ATOM 37 N LYS A 4 -5.653 1.055 -1.429 1.00 0.00 N ATOM 38 CA LYS A 4 -6.817 1.340 -2.259 1.00 0.00 C ATOM 39 C LYS A 4 -6.852 2.829 -2.565 1.00 0.00 C ATOM 40 O LYS A 4 -7.762 3.342 -3.216 1.00 0.00 O ATOM 41 CB LYS A 4 -8.096 0.924 -1.530 1.00 0.00 C ATOM 42 CG LYS A 4 -9.305 0.762 -2.440 1.00 0.00 C ATOM 43 CD LYS A 4 -10.476 0.097 -1.724 1.00 0.00 C ATOM 44 CE LYS A 4 -10.376 -1.427 -1.730 1.00 0.00 C ATOM 45 NZ LYS A 4 -9.190 -1.935 -0.987 1.00 0.00 N ATOM 0 H LYS A 4 -5.860 0.948 -0.436 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.750 0.776 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.916 -0.018 -1.012 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.326 1.669 -0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.614 1.740 -2.809 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.027 0.167 -3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.516 0.451 -0.694 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.408 0.399 -2.201 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.281 -1.847 -1.290 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.330 -1.779 -2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -9.362 -2.916 -0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -8.354 -1.903 -1.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.025 -1.341 -0.149 1.00 0.00 H new ATOM 59 N CYS A 5 -5.845 3.511 -2.064 1.00 0.00 N ATOM 60 CA CYS A 5 -5.712 4.933 -2.229 1.00 0.00 C ATOM 61 C CYS A 5 -4.416 5.274 -2.960 1.00 0.00 C ATOM 62 O CYS A 5 -3.366 5.452 -2.339 1.00 0.00 O ATOM 63 CB CYS A 5 -5.785 5.581 -0.845 1.00 0.00 C ATOM 64 SG CYS A 5 -7.506 5.877 -0.295 1.00 0.00 S ATOM 0 H CYS A 5 -5.090 3.085 -1.526 1.00 0.00 H new ATOM 0 HA CYS A 5 -6.521 5.324 -2.846 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.281 4.940 -0.121 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -5.245 6.528 -0.862 1.00 0.00 H new ATOM 69 N SER A 6 -4.510 5.344 -4.292 1.00 0.00 N ATOM 70 CA SER A 6 -3.366 5.648 -5.150 1.00 0.00 C ATOM 71 C SER A 6 -2.997 7.127 -5.072 1.00 0.00 C ATOM 72 O SER A 6 -3.525 7.846 -4.241 1.00 0.00 O ATOM 73 CB SER A 6 -3.673 5.259 -6.598 1.00 0.00 C ATOM 74 OG SER A 6 -4.063 3.899 -6.689 1.00 0.00 O ATOM 0 H SER A 6 -5.380 5.192 -4.802 1.00 0.00 H new ATOM 0 HA SER A 6 -2.515 5.066 -4.796 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.467 5.895 -6.988 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.793 5.431 -7.218 1.00 0.00 H new ATOM 0 HG SER A 6 -4.255 3.676 -7.624 1.00 0.00 H new ATOM 80 N VAL A 7 -2.079 7.558 -5.943 1.00 0.00 N ATOM 81 CA VAL A 7 -1.588 8.938 -5.997 1.00 0.00 C ATOM 82 C VAL A 7 -2.643 10.014 -5.687 1.00 0.00 C ATOM 83 O VAL A 7 -2.384 10.919 -4.890 1.00 0.00 O ATOM 84 CB VAL A 7 -0.946 9.211 -7.370 1.00 0.00 C ATOM 85 CG1 VAL A 7 0.387 8.485 -7.476 1.00 0.00 C ATOM 86 CG2 VAL A 7 -1.863 8.779 -8.506 1.00 0.00 C ATOM 0 H VAL A 7 -1.650 6.949 -6.640 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.850 9.017 -5.199 1.00 0.00 H new ATOM 0 HB VAL A 7 -0.782 10.285 -7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.833 8.684 -8.450 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.057 8.837 -6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 7 0.227 7.413 -7.362 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.381 8.985 -9.461 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.065 7.711 -8.424 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.801 9.331 -8.447 1.00 0.00 H new ATOM 96 N LEU A 8 -3.812 9.923 -6.305 1.00 0.00 N ATOM 97 CA LEU A 8 -4.868 10.903 -6.076 1.00 0.00 C ATOM 98 C LEU A 8 -5.514 10.677 -4.719 1.00 0.00 C ATOM 99 O LEU A 8 -5.656 11.608 -3.924 1.00 0.00 O ATOM 100 CB LEU A 8 -5.913 10.807 -7.204 1.00 0.00 C ATOM 101 CG LEU A 8 -6.941 11.949 -7.301 1.00 0.00 C ATOM 102 CD1 LEU A 8 -8.010 11.811 -6.232 1.00 0.00 C ATOM 103 CD2 LEU A 8 -6.262 13.308 -7.207 1.00 0.00 C ATOM 0 H LEU A 8 -4.054 9.185 -6.966 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.438 11.904 -6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.382 10.747 -8.154 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.457 9.870 -7.083 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.423 11.878 -8.276 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -8.723 12.630 -6.323 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -8.530 10.861 -6.358 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -7.545 11.842 -5.247 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.012 14.095 -7.278 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -5.741 13.389 -6.253 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.546 13.414 -8.022 1.00 0.00 H new ATOM 115 N LYS A 9 -5.907 9.444 -4.450 1.00 0.00 N ATOM 116 CA LYS A 9 -6.538 9.123 -3.188 1.00 0.00 C ATOM 117 C LYS A 9 -5.562 9.151 -2.012 1.00 0.00 C ATOM 118 O LYS A 9 -5.985 9.015 -0.874 1.00 0.00 O ATOM 119 CB LYS A 9 -7.265 7.789 -3.272 1.00 0.00 C ATOM 120 CG LYS A 9 -8.620 7.904 -3.943 1.00 0.00 C ATOM 121 CD LYS A 9 -9.443 6.639 -3.788 1.00 0.00 C ATOM 122 CE LYS A 9 -10.879 6.873 -4.227 1.00 0.00 C ATOM 123 NZ LYS A 9 -11.734 5.673 -4.020 1.00 0.00 N ATOM 0 H LYS A 9 -5.800 8.654 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 9 -7.272 9.905 -2.994 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.650 7.078 -3.824 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.394 7.386 -2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.165 8.745 -3.516 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -8.482 8.119 -5.003 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.002 5.838 -4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.424 6.313 -2.748 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.295 7.713 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.894 7.150 -5.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.391 5.573 -4.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.134 4.826 -3.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.275 5.780 -3.139 1.00 0.00 H new ATOM 137 N LYS A 10 -4.273 9.383 -2.277 1.00 0.00 N ATOM 138 CA LYS A 10 -3.282 9.494 -1.203 1.00 0.00 C ATOM 139 C LYS A 10 -3.464 10.846 -0.541 1.00 0.00 C ATOM 140 O LYS A 10 -2.982 11.104 0.560 1.00 0.00 O ATOM 141 CB LYS A 10 -1.847 9.362 -1.724 1.00 0.00 C ATOM 142 CG LYS A 10 -1.446 7.940 -2.081 1.00 0.00 C ATOM 143 CD LYS A 10 -0.077 7.890 -2.743 1.00 0.00 C ATOM 144 CE LYS A 10 1.029 8.292 -1.782 1.00 0.00 C ATOM 145 NZ LYS A 10 2.362 8.295 -2.441 1.00 0.00 N ATOM 0 H LYS A 10 -3.894 9.497 -3.217 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.438 8.681 -0.494 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.732 9.993 -2.605 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -1.161 9.743 -0.968 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.437 7.327 -1.179 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.190 7.510 -2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 10 0.111 6.882 -3.113 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.067 8.554 -3.607 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.820 9.284 -1.382 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.043 7.604 -0.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 3.089 8.574 -1.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.574 7.342 -2.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.357 8.970 -3.232 1.00 0.00 H new ATOM 159 N VAL A 11 -4.200 11.691 -1.240 1.00 0.00 N ATOM 160 CA VAL A 11 -4.530 13.012 -0.795 1.00 0.00 C ATOM 161 C VAL A 11 -5.877 12.940 -0.089 1.00 0.00 C ATOM 162 O VAL A 11 -6.215 13.774 0.755 1.00 0.00 O ATOM 163 CB VAL A 11 -4.592 13.925 -2.047 1.00 0.00 C ATOM 164 CG1 VAL A 11 -5.952 14.561 -2.236 1.00 0.00 C ATOM 165 CG2 VAL A 11 -3.496 14.963 -2.029 1.00 0.00 C ATOM 0 H VAL A 11 -4.589 11.462 -2.154 1.00 0.00 H new ATOM 0 HA VAL A 11 -3.793 13.416 -0.101 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.427 13.280 -2.910 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.939 15.189 -3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.705 13.782 -2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -6.193 15.171 -1.365 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.569 15.585 -2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.601 15.587 -1.142 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -2.525 14.467 -2.012 1.00 0.00 H new ATOM 175 N ALA A 12 -6.637 11.918 -0.465 1.00 0.00 N ATOM 176 CA ALA A 12 -7.963 11.685 0.077 1.00 0.00 C ATOM 177 C ALA A 12 -7.963 10.739 1.279 1.00 0.00 C ATOM 178 O ALA A 12 -9.001 10.588 1.927 1.00 0.00 O ATOM 179 CB ALA A 12 -8.879 11.148 -1.011 1.00 0.00 C ATOM 0 H ALA A 12 -6.346 11.227 -1.157 1.00 0.00 H new ATOM 0 HA ALA A 12 -8.332 12.646 0.436 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.873 10.975 -0.598 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.945 11.873 -1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.477 10.210 -1.394 1.00 0.00 H new ATOM 185 N CYS A 13 -6.824 10.102 1.609 1.00 0.00 N ATOM 186 CA CYS A 13 -6.807 9.214 2.766 1.00 0.00 C ATOM 187 C CYS A 13 -7.077 10.034 3.997 1.00 0.00 C ATOM 188 O CYS A 13 -7.636 9.548 4.958 1.00 0.00 O ATOM 189 CB CYS A 13 -5.482 8.479 2.973 1.00 0.00 C ATOM 190 SG CYS A 13 -4.517 8.172 1.463 1.00 0.00 S ATOM 0 H CYS A 13 -5.940 10.185 1.108 1.00 0.00 H new ATOM 0 HA CYS A 13 -7.568 8.455 2.585 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -4.869 9.057 3.664 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -5.688 7.522 3.453 1.00 0.00 H new ATOM 195 N ALA A 14 -6.686 11.297 3.938 1.00 0.00 N ATOM 196 CA ALA A 14 -6.901 12.208 5.039 1.00 0.00 C ATOM 197 C ALA A 14 -8.391 12.482 5.201 1.00 0.00 C ATOM 198 O ALA A 14 -8.909 12.518 6.302 1.00 0.00 O ATOM 199 CB ALA A 14 -6.134 13.502 4.804 1.00 0.00 C ATOM 0 H ALA A 14 -6.216 11.711 3.133 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.532 11.754 5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.303 14.182 5.639 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.069 13.284 4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.480 13.968 3.881 1.00 0.00 H new ATOM 205 N ALA A 15 -9.085 12.642 4.090 1.00 0.00 N ATOM 206 CA ALA A 15 -10.519 12.885 4.128 1.00 0.00 C ATOM 207 C ALA A 15 -11.257 11.667 4.665 1.00 0.00 C ATOM 208 O ALA A 15 -12.369 11.772 5.179 1.00 0.00 O ATOM 209 CB ALA A 15 -11.025 13.229 2.740 1.00 0.00 C ATOM 0 H ALA A 15 -8.684 12.609 3.153 1.00 0.00 H new ATOM 0 HA ALA A 15 -10.709 13.725 4.796 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.099 13.409 2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.520 14.125 2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -10.820 12.400 2.062 1.00 0.00 H new ATOM 215 N ALA A 16 -10.631 10.511 4.516 1.00 0.00 N ATOM 216 CA ALA A 16 -11.214 9.258 4.953 1.00 0.00 C ATOM 217 C ALA A 16 -10.784 8.864 6.366 1.00 0.00 C ATOM 218 O ALA A 16 -11.620 8.500 7.189 1.00 0.00 O ATOM 219 CB ALA A 16 -10.858 8.151 3.971 1.00 0.00 C ATOM 0 H ALA A 16 -9.709 10.417 4.090 1.00 0.00 H new ATOM 0 HA ALA A 16 -12.294 9.400 4.979 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.299 7.212 4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -11.245 8.402 2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.774 8.045 3.920 1.00 0.00 H new ATOM 225 N ILE A 17 -9.480 8.888 6.636 1.00 0.00 N ATOM 226 CA ILE A 17 -8.982 8.478 7.935 1.00 0.00 C ATOM 227 C ILE A 17 -8.816 9.624 8.930 1.00 0.00 C ATOM 228 O ILE A 17 -9.088 9.435 10.110 1.00 0.00 O ATOM 229 CB ILE A 17 -7.670 7.642 7.834 1.00 0.00 C ATOM 230 CG1 ILE A 17 -7.367 7.023 9.173 1.00 0.00 C ATOM 231 CG2 ILE A 17 -6.445 8.436 7.421 1.00 0.00 C ATOM 232 CD1 ILE A 17 -6.585 7.943 10.083 1.00 0.00 C ATOM 0 H ILE A 17 -8.761 9.185 5.976 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.767 7.835 8.334 1.00 0.00 H new ATOM 0 HB ILE A 17 -7.861 6.902 7.056 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -8.302 6.747 9.660 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.802 6.103 9.023 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -5.580 7.774 7.377 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -6.613 8.880 6.440 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.261 9.226 8.149 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.397 7.442 11.033 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -5.635 8.198 9.613 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -7.158 8.853 10.260 1.00 0.00 H new ATOM 244 N ALA A 18 -8.357 10.791 8.497 1.00 0.00 N ATOM 245 CA ALA A 18 -8.172 11.909 9.436 1.00 0.00 C ATOM 246 C ALA A 18 -9.456 12.178 10.212 1.00 0.00 C ATOM 247 O ALA A 18 -9.417 12.581 11.369 1.00 0.00 O ATOM 248 CB ALA A 18 -7.702 13.172 8.740 1.00 0.00 C ATOM 0 H ALA A 18 -8.109 10.994 7.529 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.390 11.612 10.135 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.580 13.968 9.474 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.748 12.983 8.248 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.440 13.474 7.997 1.00 0.00 H new ATOM 254 N GLY A 19 -10.592 11.905 9.581 1.00 0.00 N ATOM 255 CA GLY A 19 -11.866 12.075 10.250 1.00 0.00 C ATOM 256 C GLY A 19 -12.059 11.027 11.336 1.00 0.00 C ATOM 257 O GLY A 19 -12.748 11.265 12.327 1.00 0.00 O ATOM 0 H GLY A 19 -10.653 11.570 8.620 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -11.920 13.072 10.688 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.675 12.003 9.523 1.00 0.00 H new ATOM 261 N ALA A 20 -11.420 9.873 11.152 1.00 0.00 N ATOM 262 CA ALA A 20 -11.486 8.786 12.118 1.00 0.00 C ATOM 263 C ALA A 20 -10.590 9.070 13.312 1.00 0.00 C ATOM 264 O ALA A 20 -10.965 8.799 14.453 1.00 0.00 O ATOM 265 CB ALA A 20 -11.089 7.465 11.479 1.00 0.00 C ATOM 0 H ALA A 20 -10.846 9.669 10.334 1.00 0.00 H new ATOM 0 HA ALA A 20 -12.518 8.712 12.461 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.147 6.670 12.222 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.766 7.242 10.655 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -10.069 7.535 11.102 1.00 0.00 H new ATOM 271 N VAL A 21 -9.410 9.630 13.062 1.00 0.00 N ATOM 272 CA VAL A 21 -8.508 9.958 14.160 1.00 0.00 C ATOM 273 C VAL A 21 -9.113 11.086 14.952 1.00 0.00 C ATOM 274 O VAL A 21 -9.052 11.112 16.171 1.00 0.00 O ATOM 275 CB VAL A 21 -7.093 10.370 13.722 1.00 0.00 C ATOM 276 CG1 VAL A 21 -6.466 9.328 12.829 1.00 0.00 C ATOM 277 CG2 VAL A 21 -7.068 11.721 13.050 1.00 0.00 C ATOM 0 H VAL A 21 -9.062 9.862 12.132 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.393 9.047 14.748 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.501 10.447 14.634 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.467 9.652 12.538 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.399 8.382 13.366 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.079 9.197 11.937 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.046 11.964 12.760 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.701 11.698 12.163 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.439 12.478 13.741 1.00 0.00 H new ATOM 287 N ALA A 22 -9.716 12.003 14.223 1.00 0.00 N ATOM 288 CA ALA A 22 -10.387 13.149 14.806 1.00 0.00 C ATOM 289 C ALA A 22 -11.489 12.676 15.737 1.00 0.00 C ATOM 290 O ALA A 22 -11.871 13.375 16.673 1.00 0.00 O ATOM 291 CB ALA A 22 -10.958 14.041 13.716 1.00 0.00 C ATOM 0 H ALA A 22 -9.755 11.975 13.204 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.665 13.731 15.378 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -11.458 14.896 14.171 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.151 14.392 13.073 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -11.675 13.475 13.121 1.00 0.00 H new ATOM 297 N ALA A 23 -11.984 11.466 15.482 1.00 0.00 N ATOM 298 CA ALA A 23 -13.020 10.886 16.307 1.00 0.00 C ATOM 299 C ALA A 23 -12.423 10.283 17.572 1.00 0.00 C ATOM 300 O ALA A 23 -13.074 10.263 18.618 1.00 0.00 O ATOM 301 CB ALA A 23 -13.802 9.831 15.535 1.00 0.00 C ATOM 0 H ALA A 23 -11.679 10.875 14.709 1.00 0.00 H new ATOM 0 HA ALA A 23 -13.709 11.681 16.593 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -14.576 9.409 16.177 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.265 10.289 14.661 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -13.125 9.039 15.214 1.00 0.00 H new ATOM 307 N CYS A 24 -11.194 9.781 17.479 1.00 0.00 N ATOM 308 CA CYS A 24 -10.542 9.172 18.623 1.00 0.00 C ATOM 309 C CYS A 24 -9.627 10.147 19.366 1.00 0.00 C ATOM 310 O CYS A 24 -9.827 10.390 20.555 1.00 0.00 O ATOM 311 CB CYS A 24 -9.761 7.953 18.170 1.00 0.00 C ATOM 312 SG CYS A 24 -10.805 6.551 17.658 1.00 0.00 S ATOM 0 H CYS A 24 -10.636 9.786 16.625 1.00 0.00 H new ATOM 0 HA CYS A 24 -11.319 8.875 19.327 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -9.117 8.236 17.337 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -9.109 7.630 18.982 1.00 0.00 H new ATOM 317 N GLY A 25 -8.627 10.708 18.684 1.00 0.00 N ATOM 318 CA GLY A 25 -7.732 11.638 19.352 1.00 0.00 C ATOM 319 C GLY A 25 -6.558 12.100 18.501 1.00 0.00 C ATOM 320 O GLY A 25 -6.172 13.267 18.567 1.00 0.00 O ATOM 0 H GLY A 25 -8.424 10.538 17.699 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.303 12.511 19.666 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.347 11.167 20.256 1.00 0.00 H new ATOM 324 N GLY A 26 -5.973 11.201 17.719 1.00 0.00 N ATOM 325 CA GLY A 26 -4.832 11.579 16.894 1.00 0.00 C ATOM 326 C GLY A 26 -3.991 10.385 16.488 1.00 0.00 C ATOM 327 O GLY A 26 -3.140 9.933 17.260 1.00 0.00 O ATOM 0 H GLY A 26 -6.261 10.226 17.638 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.188 12.090 15.999 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.211 12.288 17.441 1.00 0.00 H new ATOM 331 N ILE A 27 -4.251 9.880 15.280 1.00 0.00 N ATOM 332 CA ILE A 27 -3.559 8.714 14.721 1.00 0.00 C ATOM 333 C ILE A 27 -3.411 7.587 15.751 1.00 0.00 C ATOM 334 O ILE A 27 -2.376 6.931 15.894 1.00 0.00 O ATOM 335 CB ILE A 27 -2.223 9.095 14.023 1.00 0.00 C ATOM 336 CG1 ILE A 27 -2.538 9.974 12.824 1.00 0.00 C ATOM 337 CG2 ILE A 27 -1.472 7.871 13.515 1.00 0.00 C ATOM 338 CD1 ILE A 27 -3.264 9.216 11.726 1.00 0.00 C ATOM 0 H ILE A 27 -4.955 10.272 14.655 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.193 8.314 13.930 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.599 9.607 14.756 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.150 10.817 13.145 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.611 10.386 12.426 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -0.545 8.186 13.035 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.241 7.212 14.352 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.091 7.338 12.794 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.466 9.888 10.892 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -2.643 8.389 11.383 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.205 8.826 12.114 1.00 0.00 H new ATOM 350 N ASP A 28 -4.514 7.313 16.417 1.00 0.00 N ATOM 351 CA ASP A 28 -4.590 6.213 17.347 1.00 0.00 C ATOM 352 C ASP A 28 -4.991 5.056 16.472 1.00 0.00 C ATOM 353 O ASP A 28 -6.163 4.708 16.392 1.00 0.00 O ATOM 354 CB ASP A 28 -5.635 6.468 18.441 1.00 0.00 C ATOM 355 CG ASP A 28 -6.371 7.778 18.256 1.00 0.00 C ATOM 356 OD1 ASP A 28 -6.996 7.971 17.195 1.00 0.00 O ATOM 357 OD2 ASP A 28 -6.321 8.619 19.172 1.00 0.00 O ATOM 0 H ASP A 28 -5.379 7.847 16.327 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.656 6.046 17.883 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -6.355 5.650 18.447 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.143 6.467 19.414 1.00 0.00 H new ATOM 362 N LEU A 29 -4.018 4.565 15.716 1.00 0.00 N ATOM 363 CA LEU A 29 -4.224 3.549 14.711 1.00 0.00 C ATOM 364 C LEU A 29 -5.208 2.419 15.076 1.00 0.00 C ATOM 365 O LEU A 29 -6.054 2.087 14.247 1.00 0.00 O ATOM 366 CB LEU A 29 -2.883 3.028 14.147 1.00 0.00 C ATOM 367 CG LEU A 29 -1.796 2.583 15.142 1.00 0.00 C ATOM 368 CD1 LEU A 29 -0.680 1.866 14.402 1.00 0.00 C ATOM 369 CD2 LEU A 29 -1.205 3.762 15.905 1.00 0.00 C ATOM 0 H LEU A 29 -3.048 4.872 15.791 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.750 4.066 13.909 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.103 2.183 13.495 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -2.459 3.812 13.520 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.269 1.913 15.860 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.086 1.554 15.112 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.084 0.989 13.895 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.240 2.539 13.667 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.442 3.403 16.596 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.756 4.463 15.201 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.993 4.265 16.465 1.00 0.00 H new ATOM 381 N PRO A 30 -5.167 1.813 16.285 1.00 0.00 N ATOM 382 CA PRO A 30 -6.127 0.753 16.630 1.00 0.00 C ATOM 383 C PRO A 30 -7.538 1.302 16.878 1.00 0.00 C ATOM 384 O PRO A 30 -8.499 0.545 17.011 1.00 0.00 O ATOM 385 CB PRO A 30 -5.553 0.156 17.916 1.00 0.00 C ATOM 386 CG PRO A 30 -4.748 1.251 18.530 1.00 0.00 C ATOM 387 CD PRO A 30 -4.234 2.097 17.396 1.00 0.00 C ATOM 0 HA PRO A 30 -6.241 0.030 15.823 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -6.347 -0.172 18.586 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.934 -0.716 17.704 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -5.358 1.845 19.211 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.923 0.844 19.114 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -4.234 3.155 17.656 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.209 1.833 17.134 1.00 0.00 H new ATOM 395 N CYS A 31 -7.647 2.624 16.952 1.00 0.00 N ATOM 396 CA CYS A 31 -8.915 3.291 17.202 1.00 0.00 C ATOM 397 C CYS A 31 -9.520 3.863 15.928 1.00 0.00 C ATOM 398 O CYS A 31 -10.698 3.648 15.644 1.00 0.00 O ATOM 399 CB CYS A 31 -8.715 4.425 18.201 1.00 0.00 C ATOM 400 SG CYS A 31 -10.261 5.062 18.926 1.00 0.00 S ATOM 0 H CYS A 31 -6.858 3.261 16.840 1.00 0.00 H new ATOM 0 HA CYS A 31 -9.600 2.543 17.602 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -8.067 4.076 19.005 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -8.195 5.244 17.705 1.00 0.00 H new ATOM 405 N VAL A 32 -8.721 4.615 15.170 1.00 0.00 N ATOM 406 CA VAL A 32 -9.213 5.233 13.931 1.00 0.00 C ATOM 407 C VAL A 32 -9.696 4.159 12.976 1.00 0.00 C ATOM 408 O VAL A 32 -10.682 4.348 12.282 1.00 0.00 O ATOM 409 CB VAL A 32 -8.142 6.124 13.221 1.00 0.00 C ATOM 410 CG1 VAL A 32 -7.075 6.536 14.207 1.00 0.00 C ATOM 411 CG2 VAL A 32 -7.553 5.463 11.992 1.00 0.00 C ATOM 0 H VAL A 32 -7.743 4.811 15.385 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.036 5.889 14.214 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.644 7.021 12.859 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.334 7.156 13.703 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.530 7.102 15.020 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.590 5.647 14.611 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.816 6.127 11.540 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.072 4.527 12.277 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -8.346 5.259 11.273 1.00 0.00 H new ATOM 421 N LEU A 33 -8.992 3.033 12.943 1.00 0.00 N ATOM 422 CA LEU A 33 -9.348 1.953 12.055 1.00 0.00 C ATOM 423 C LEU A 33 -10.614 1.242 12.510 1.00 0.00 C ATOM 424 O LEU A 33 -11.172 0.457 11.771 1.00 0.00 O ATOM 425 CB LEU A 33 -8.189 0.972 11.928 1.00 0.00 C ATOM 426 CG LEU A 33 -8.206 0.140 10.652 1.00 0.00 C ATOM 427 CD1 LEU A 33 -6.842 0.152 9.981 1.00 0.00 C ATOM 428 CD2 LEU A 33 -8.639 -1.274 10.968 1.00 0.00 C ATOM 0 H LEU A 33 -8.173 2.853 13.524 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.555 2.381 11.074 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.252 1.527 11.973 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.202 0.300 12.786 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.921 0.578 9.956 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.878 -0.449 9.072 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.570 1.177 9.728 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.098 -0.264 10.661 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.649 -1.865 10.052 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.941 -1.718 11.678 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -9.639 -1.260 11.402 1.00 0.00 H new ATOM 440 N ALA A 34 -11.096 1.536 13.706 1.00 0.00 N ATOM 441 CA ALA A 34 -12.328 0.911 14.169 1.00 0.00 C ATOM 442 C ALA A 34 -13.513 1.535 13.448 1.00 0.00 C ATOM 443 O ALA A 34 -14.546 0.902 13.246 1.00 0.00 O ATOM 444 CB ALA A 34 -12.488 1.047 15.675 1.00 0.00 C ATOM 0 H ALA A 34 -10.667 2.188 14.363 1.00 0.00 H new ATOM 0 HA ALA A 34 -12.284 -0.154 13.941 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -13.417 0.570 15.987 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -11.648 0.566 16.175 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -12.514 2.103 15.944 1.00 0.00 H new ATOM 450 N ALA A 35 -13.333 2.783 13.037 1.00 0.00 N ATOM 451 CA ALA A 35 -14.353 3.513 12.302 1.00 0.00 C ATOM 452 C ALA A 35 -13.953 3.593 10.840 1.00 0.00 C ATOM 453 O ALA A 35 -14.791 3.508 9.941 1.00 0.00 O ATOM 454 CB ALA A 35 -14.521 4.906 12.869 1.00 0.00 C ATOM 0 H ALA A 35 -12.479 3.315 13.204 1.00 0.00 H new ATOM 0 HA ALA A 35 -15.304 2.988 12.394 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -15.288 5.438 12.306 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -14.819 4.839 13.915 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -13.577 5.446 12.794 1.00 0.00 H new ATOM 460 N LEU A 36 -12.651 3.750 10.623 1.00 0.00 N ATOM 461 CA LEU A 36 -12.080 3.836 9.290 1.00 0.00 C ATOM 462 C LEU A 36 -12.113 2.491 8.589 1.00 0.00 C ATOM 463 O LEU A 36 -11.920 2.404 7.381 1.00 0.00 O ATOM 464 CB LEU A 36 -10.622 4.287 9.342 1.00 0.00 C ATOM 465 CG LEU A 36 -9.914 4.164 8.001 1.00 0.00 C ATOM 466 CD1 LEU A 36 -10.339 5.267 7.093 1.00 0.00 C ATOM 467 CD2 LEU A 36 -8.428 4.161 8.127 1.00 0.00 C ATOM 0 H LEU A 36 -11.962 3.821 11.372 1.00 0.00 H new ATOM 0 HA LEU A 36 -12.682 4.562 8.744 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -10.580 5.324 9.675 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.089 3.692 10.084 1.00 0.00 H new ATOM 0 HG LEU A 36 -10.203 3.201 7.581 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.826 5.169 6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.416 5.213 6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -10.086 6.227 7.543 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.979 4.071 7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -8.100 5.091 8.591 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -8.117 3.318 8.745 1.00 0.00 H new ATOM 479 N LYS A 37 -12.310 1.423 9.325 1.00 0.00 N ATOM 480 CA LYS A 37 -12.305 0.128 8.682 1.00 0.00 C ATOM 481 C LYS A 37 -13.533 0.009 7.789 1.00 0.00 C ATOM 482 O LYS A 37 -13.523 -0.695 6.780 1.00 0.00 O ATOM 483 CB LYS A 37 -12.268 -1.019 9.703 1.00 0.00 C ATOM 484 CG LYS A 37 -11.848 -2.365 9.122 1.00 0.00 C ATOM 485 CD LYS A 37 -11.687 -3.416 10.215 1.00 0.00 C ATOM 486 CE LYS A 37 -11.316 -4.784 9.645 1.00 0.00 C ATOM 487 NZ LYS A 37 -11.101 -5.803 10.715 1.00 0.00 N ATOM 0 H LYS A 37 -12.470 1.419 10.332 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.400 0.046 8.080 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.580 -0.753 10.506 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -13.256 -1.123 10.151 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.593 -2.700 8.400 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.908 -2.253 8.582 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.917 -3.095 10.916 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -12.616 -3.498 10.778 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -12.107 -5.123 8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.410 -4.692 9.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.852 -6.715 10.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.329 -5.494 11.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -11.973 -5.911 11.271 1.00 0.00 H new ATOM 501 N ALA A 38 -14.573 0.748 8.169 1.00 0.00 N ATOM 502 CA ALA A 38 -15.815 0.789 7.413 1.00 0.00 C ATOM 503 C ALA A 38 -15.685 1.756 6.242 1.00 0.00 C ATOM 504 O ALA A 38 -16.630 1.945 5.476 1.00 0.00 O ATOM 505 CB ALA A 38 -16.983 1.190 8.306 1.00 0.00 C ATOM 0 H ALA A 38 -14.575 1.331 9.006 1.00 0.00 H new ATOM 0 HA ALA A 38 -16.014 -0.210 7.025 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -17.900 1.213 7.717 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.089 0.466 9.114 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -16.797 2.178 8.727 1.00 0.00 H new ATOM 511 N ALA A 39 -14.498 2.352 6.099 1.00 0.00 N ATOM 512 CA ALA A 39 -14.221 3.279 5.007 1.00 0.00 C ATOM 513 C ALA A 39 -14.191 2.516 3.697 1.00 0.00 C ATOM 514 O ALA A 39 -14.337 1.290 3.681 1.00 0.00 O ATOM 515 CB ALA A 39 -12.884 3.996 5.231 1.00 0.00 C ATOM 0 H ALA A 39 -13.712 2.205 6.732 1.00 0.00 H new ATOM 0 HA ALA A 39 -15.008 4.032 4.973 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -12.697 4.683 4.405 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -12.923 4.555 6.166 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.081 3.261 5.281 1.00 0.00 H new ATOM 521 N GLU A 40 -13.979 3.223 2.600 1.00 0.00 N ATOM 522 CA GLU A 40 -13.908 2.572 1.303 1.00 0.00 C ATOM 523 C GLU A 40 -12.530 1.941 1.098 1.00 0.00 C ATOM 524 O GLU A 40 -11.906 2.102 0.047 1.00 0.00 O ATOM 525 CB GLU A 40 -14.248 3.550 0.173 1.00 0.00 C ATOM 526 CG GLU A 40 -13.672 4.944 0.353 1.00 0.00 C ATOM 527 CD GLU A 40 -14.024 5.859 -0.795 1.00 0.00 C ATOM 528 OE1 GLU A 40 -15.226 6.109 -1.012 1.00 0.00 O ATOM 529 OE2 GLU A 40 -13.102 6.313 -1.496 1.00 0.00 O ATOM 0 H GLU A 40 -13.854 4.235 2.580 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.653 1.776 1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.884 3.139 -0.768 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -15.332 3.626 0.089 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.045 5.372 1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.588 4.878 0.444 1.00 0.00 H new ATOM 536 N GLY A 41 -12.081 1.214 2.122 1.00 0.00 N ATOM 537 CA GLY A 41 -10.803 0.530 2.090 1.00 0.00 C ATOM 538 C GLY A 41 -9.614 1.452 1.933 1.00 0.00 C ATOM 539 O GLY A 41 -8.711 1.157 1.166 1.00 0.00 O ATOM 0 H GLY A 41 -12.598 1.088 2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -10.686 -0.043 3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -10.806 -0.185 1.267 1.00 0.00 H new ATOM 543 N CYS A 42 -9.559 2.550 2.672 1.00 0.00 N ATOM 544 CA CYS A 42 -8.412 3.433 2.553 1.00 0.00 C ATOM 545 C CYS A 42 -7.586 3.355 3.814 1.00 0.00 C ATOM 546 O CYS A 42 -6.632 4.109 4.008 1.00 0.00 O ATOM 547 CB CYS A 42 -8.826 4.869 2.278 1.00 0.00 C ATOM 548 SG CYS A 42 -7.444 5.941 1.736 1.00 0.00 S ATOM 0 H CYS A 42 -10.272 2.844 3.340 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.817 3.103 1.702 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -9.601 4.874 1.511 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.268 5.290 3.181 1.00 0.00 H new ATOM 553 N ALA A 43 -7.948 2.404 4.659 1.00 0.00 N ATOM 554 CA ALA A 43 -7.239 2.170 5.897 1.00 0.00 C ATOM 555 C ALA A 43 -5.823 1.735 5.583 1.00 0.00 C ATOM 556 O ALA A 43 -4.898 1.957 6.362 1.00 0.00 O ATOM 557 CB ALA A 43 -7.962 1.117 6.705 1.00 0.00 C ATOM 0 H ALA A 43 -8.738 1.778 4.504 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.202 3.086 6.487 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -7.426 0.942 7.638 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -8.973 1.459 6.926 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.009 0.189 6.134 1.00 0.00 H new ATOM 563 N SER A 44 -5.680 1.144 4.403 1.00 0.00 N ATOM 564 CA SER A 44 -4.401 0.685 3.903 1.00 0.00 C ATOM 565 C SER A 44 -3.473 1.872 3.643 1.00 0.00 C ATOM 566 O SER A 44 -2.260 1.727 3.643 1.00 0.00 O ATOM 567 CB SER A 44 -4.630 -0.131 2.631 1.00 0.00 C ATOM 568 OG SER A 44 -3.416 -0.416 1.964 1.00 0.00 O ATOM 0 H SER A 44 -6.457 0.971 3.766 1.00 0.00 H new ATOM 0 HA SER A 44 -3.918 0.051 4.647 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.134 -1.064 2.884 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.292 0.418 1.962 1.00 0.00 H new ATOM 0 HG SER A 44 -3.497 -1.269 1.488 1.00 0.00 H new ATOM 574 N CYS A 45 -4.056 3.054 3.467 1.00 0.00 N ATOM 575 CA CYS A 45 -3.266 4.268 3.257 1.00 0.00 C ATOM 576 C CYS A 45 -2.792 4.772 4.610 1.00 0.00 C ATOM 577 O CYS A 45 -1.663 5.225 4.780 1.00 0.00 O ATOM 578 CB CYS A 45 -4.103 5.361 2.585 1.00 0.00 C ATOM 579 SG CYS A 45 -3.128 6.801 2.030 1.00 0.00 S ATOM 0 H CYS A 45 -5.066 3.199 3.465 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.422 4.033 2.608 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.621 4.933 1.727 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.869 5.700 3.283 1.00 0.00 H new ATOM 584 N PHE A 46 -3.709 4.673 5.559 1.00 0.00 N ATOM 585 CA PHE A 46 -3.513 5.092 6.939 1.00 0.00 C ATOM 586 C PHE A 46 -2.336 4.382 7.624 1.00 0.00 C ATOM 587 O PHE A 46 -1.348 5.019 7.976 1.00 0.00 O ATOM 588 CB PHE A 46 -4.838 4.840 7.676 1.00 0.00 C ATOM 589 CG PHE A 46 -4.748 4.668 9.162 1.00 0.00 C ATOM 590 CD1 PHE A 46 -4.588 5.749 10.006 1.00 0.00 C ATOM 591 CD2 PHE A 46 -4.836 3.407 9.721 1.00 0.00 C ATOM 592 CE1 PHE A 46 -4.520 5.588 11.336 1.00 0.00 C ATOM 593 CE2 PHE A 46 -4.772 3.239 11.069 1.00 0.00 C ATOM 594 CZ PHE A 46 -4.614 4.329 11.880 1.00 0.00 C ATOM 0 H PHE A 46 -4.637 4.288 5.386 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.247 6.149 6.965 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -5.509 5.673 7.468 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.299 3.946 7.255 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.516 6.742 9.588 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -4.957 2.546 9.080 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.392 6.446 11.979 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -4.846 2.250 11.497 1.00 0.00 H new ATOM 0 HZ PHE A 46 -4.563 4.200 12.951 1.00 0.00 H new ATOM 604 N CYS A 47 -2.453 3.078 7.853 1.00 0.00 N ATOM 605 CA CYS A 47 -1.394 2.337 8.555 1.00 0.00 C ATOM 606 C CYS A 47 -0.229 1.910 7.660 1.00 0.00 C ATOM 607 O CYS A 47 0.616 1.142 8.106 1.00 0.00 O ATOM 608 CB CYS A 47 -1.967 1.097 9.240 1.00 0.00 C ATOM 609 SG CYS A 47 -1.903 1.119 11.062 1.00 0.00 S ATOM 0 H CYS A 47 -3.254 2.514 7.571 1.00 0.00 H new ATOM 0 HA CYS A 47 -0.996 3.038 9.289 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -3.005 0.977 8.930 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -1.425 0.221 8.884 1.00 0.00 H new ATOM 614 N GLU A 48 -0.164 2.395 6.424 1.00 0.00 N ATOM 615 CA GLU A 48 0.939 2.030 5.525 1.00 0.00 C ATOM 616 C GLU A 48 2.218 2.756 5.935 1.00 0.00 C ATOM 617 O GLU A 48 3.288 2.155 6.035 1.00 0.00 O ATOM 618 CB GLU A 48 0.581 2.371 4.072 1.00 0.00 C ATOM 619 CG GLU A 48 1.689 2.096 3.060 1.00 0.00 C ATOM 620 CD GLU A 48 2.129 0.647 3.032 1.00 0.00 C ATOM 621 OE1 GLU A 48 1.271 -0.236 2.844 1.00 0.00 O ATOM 622 OE2 GLU A 48 3.338 0.392 3.184 1.00 0.00 O ATOM 0 H GLU A 48 -0.849 3.034 6.021 1.00 0.00 H new ATOM 0 HA GLU A 48 1.105 0.955 5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.303 1.800 3.787 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.311 3.426 4.017 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.344 2.383 2.067 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.548 2.725 3.293 1.00 0.00 H new ATOM 629 N ASP A 49 2.094 4.055 6.180 1.00 0.00 N ATOM 630 CA ASP A 49 3.231 4.875 6.588 1.00 0.00 C ATOM 631 C ASP A 49 3.678 4.493 7.996 1.00 0.00 C ATOM 632 O ASP A 49 4.868 4.455 8.306 1.00 0.00 O ATOM 633 CB ASP A 49 2.841 6.358 6.549 1.00 0.00 C ATOM 634 CG ASP A 49 4.012 7.297 6.749 1.00 0.00 C ATOM 635 OD1 ASP A 49 5.168 6.830 6.775 1.00 0.00 O ATOM 636 OD2 ASP A 49 3.777 8.514 6.856 1.00 0.00 O ATOM 0 H ASP A 49 1.214 4.566 6.103 1.00 0.00 H new ATOM 0 HA ASP A 49 4.057 4.702 5.898 1.00 0.00 H new ATOM 0 HB2 ASP A 49 2.370 6.576 5.590 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.096 6.550 7.321 1.00 0.00 H new ATOM 641 N HIS A 50 2.706 4.211 8.851 1.00 0.00 N ATOM 642 CA HIS A 50 2.985 3.840 10.233 1.00 0.00 C ATOM 643 C HIS A 50 2.949 2.331 10.384 1.00 0.00 C ATOM 644 O HIS A 50 2.530 1.828 11.418 1.00 0.00 O ATOM 645 CB HIS A 50 1.962 4.444 11.222 1.00 0.00 C ATOM 646 CG HIS A 50 1.038 5.501 10.673 1.00 0.00 C ATOM 647 ND1 HIS A 50 1.194 6.414 9.683 1.00 0.00 N flip ATOM 648 CD2 HIS A 50 -0.227 5.709 11.180 1.00 0.00 C flip ATOM 649 CE1 HIS A 50 0.033 7.146 9.614 1.00 0.00 C flip ATOM 650 NE2 HIS A 50 -0.808 6.698 10.527 1.00 0.00 N flip ATOM 0 H HIS A 50 1.714 4.232 8.613 1.00 0.00 H new ATOM 0 HA HIS A 50 3.974 4.234 10.468 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.353 3.633 11.621 1.00 0.00 H new ATOM 0 HB3 HIS A 50 2.511 4.873 12.061 1.00 0.00 H new ATOM 0 HD1 HIS A 50 2.020 6.535 9.098 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.674 5.149 11.988 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -0.160 7.955 8.925 1.00 0.00 H new ATOM 659 N CYS A 51 3.361 1.622 9.343 1.00 0.00 N ATOM 660 CA CYS A 51 3.348 0.155 9.347 1.00 0.00 C ATOM 661 C CYS A 51 4.196 -0.445 10.465 1.00 0.00 C ATOM 662 O CYS A 51 5.380 -0.730 10.281 1.00 0.00 O ATOM 663 CB CYS A 51 3.799 -0.398 7.995 1.00 0.00 C ATOM 664 SG CYS A 51 2.426 -0.869 6.905 1.00 0.00 S ATOM 0 H CYS A 51 3.711 2.035 8.479 1.00 0.00 H new ATOM 0 HA CYS A 51 2.315 -0.140 9.533 1.00 0.00 H new ATOM 0 HB2 CYS A 51 4.410 0.351 7.492 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.434 -1.268 8.162 1.00 0.00 H new ATOM 669 N HIS A 52 3.562 -0.641 11.619 1.00 0.00 N ATOM 670 CA HIS A 52 4.204 -1.215 12.795 1.00 0.00 C ATOM 671 C HIS A 52 3.191 -1.289 13.931 1.00 0.00 C ATOM 672 O HIS A 52 2.064 -0.804 13.797 1.00 0.00 O ATOM 673 CB HIS A 52 5.416 -0.370 13.236 1.00 0.00 C ATOM 674 CG HIS A 52 5.064 0.853 14.040 1.00 0.00 C ATOM 675 ND1 HIS A 52 4.219 1.841 13.583 1.00 0.00 N ATOM 676 CD2 HIS A 52 5.436 1.229 15.288 1.00 0.00 C ATOM 677 CE1 HIS A 52 4.088 2.772 14.511 1.00 0.00 C ATOM 678 NE2 HIS A 52 4.816 2.426 15.559 1.00 0.00 N ATOM 0 H HIS A 52 2.581 -0.403 11.763 1.00 0.00 H new ATOM 0 HA HIS A 52 4.561 -2.214 12.544 1.00 0.00 H new ATOM 0 HB2 HIS A 52 6.085 -0.997 13.826 1.00 0.00 H new ATOM 0 HB3 HIS A 52 5.969 -0.060 12.349 1.00 0.00 H new ATOM 0 HD1 HIS A 52 3.765 1.852 12.670 1.00 0.00 H new ATOM 0 HD2 HIS A 52 6.098 0.688 15.948 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.487 3.666 14.428 1.00 0.00 H new ATOM 687 N GLY A 53 3.611 -1.858 15.049 1.00 0.00 N ATOM 688 CA GLY A 53 2.756 -1.948 16.217 1.00 0.00 C ATOM 689 C GLY A 53 1.448 -2.676 15.989 1.00 0.00 C ATOM 690 O GLY A 53 1.423 -3.900 15.845 1.00 0.00 O ATOM 0 H GLY A 53 4.539 -2.264 15.171 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.303 -2.453 17.013 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.538 -0.940 16.570 1.00 0.00 H new ATOM 694 N VAL A 54 0.350 -1.927 16.003 1.00 0.00 N ATOM 695 CA VAL A 54 -0.963 -2.506 15.855 1.00 0.00 C ATOM 696 C VAL A 54 -1.417 -2.582 14.386 1.00 0.00 C ATOM 697 O VAL A 54 -2.431 -3.198 14.098 1.00 0.00 O ATOM 698 CB VAL A 54 -1.977 -1.723 16.718 1.00 0.00 C ATOM 699 CG1 VAL A 54 -2.346 -0.431 16.051 1.00 0.00 C ATOM 700 CG2 VAL A 54 -3.218 -2.541 17.029 1.00 0.00 C ATOM 0 H VAL A 54 0.353 -0.913 16.116 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.914 -3.537 16.207 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.492 -1.503 17.669 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.061 0.108 16.672 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.452 0.177 15.916 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.794 -0.638 15.079 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.901 -1.949 17.638 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.711 -2.822 16.098 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.933 -3.441 17.574 1.00 0.00 H new ATOM 710 N CYS A 55 -0.654 -2.007 13.444 1.00 0.00 N ATOM 711 CA CYS A 55 -1.005 -2.092 12.014 1.00 0.00 C ATOM 712 C CYS A 55 -0.987 -3.559 11.577 1.00 0.00 C ATOM 713 O CYS A 55 -1.523 -3.923 10.536 1.00 0.00 O ATOM 714 CB CYS A 55 -0.014 -1.292 11.178 1.00 0.00 C ATOM 715 SG CYS A 55 -0.019 0.500 11.505 1.00 0.00 S ATOM 0 H CYS A 55 0.200 -1.484 13.640 1.00 0.00 H new ATOM 0 HA CYS A 55 -2.001 -1.676 11.864 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.989 -1.678 11.359 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -0.233 -1.456 10.123 1.00 0.00 H new ATOM 720 N LYS A 56 -0.396 -4.398 12.418 1.00 0.00 N ATOM 721 CA LYS A 56 -0.332 -5.833 12.179 1.00 0.00 C ATOM 722 C LYS A 56 -1.537 -6.493 12.853 1.00 0.00 C ATOM 723 O LYS A 56 -1.950 -7.593 12.494 1.00 0.00 O ATOM 724 CB LYS A 56 0.981 -6.392 12.751 1.00 0.00 C ATOM 725 CG LYS A 56 1.222 -7.872 12.476 1.00 0.00 C ATOM 726 CD LYS A 56 1.500 -8.149 11.003 1.00 0.00 C ATOM 727 CE LYS A 56 2.668 -7.323 10.479 1.00 0.00 C ATOM 728 NZ LYS A 56 3.873 -7.448 11.343 1.00 0.00 N ATOM 0 H LYS A 56 0.052 -4.102 13.285 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.357 -6.042 11.109 1.00 0.00 H new ATOM 0 HB2 LYS A 56 1.812 -5.821 12.338 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.988 -6.232 13.829 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.065 -8.218 13.074 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.350 -8.445 12.793 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.716 -9.209 10.868 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.608 -7.928 10.417 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.913 -7.644 9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.373 -6.276 10.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.699 -7.058 10.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 3.722 -6.923 12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.042 -8.451 11.561 1.00 0.00 H new ATOM 742 N ASP A 57 -2.094 -5.781 13.834 1.00 0.00 N ATOM 743 CA ASP A 57 -3.253 -6.243 14.593 1.00 0.00 C ATOM 744 C ASP A 57 -4.556 -5.941 13.858 1.00 0.00 C ATOM 745 O ASP A 57 -5.394 -6.827 13.693 1.00 0.00 O ATOM 746 CB ASP A 57 -3.292 -5.561 15.958 1.00 0.00 C ATOM 747 CG ASP A 57 -3.852 -6.451 17.044 1.00 0.00 C ATOM 748 OD1 ASP A 57 -4.215 -7.603 16.746 1.00 0.00 O ATOM 749 OD2 ASP A 57 -3.921 -5.995 18.203 1.00 0.00 O ATOM 0 H ASP A 57 -1.751 -4.865 14.124 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.157 -7.322 14.713 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.284 -5.251 16.233 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.896 -4.656 15.889 1.00 0.00 H new ATOM 754 N LEU A 58 -4.745 -4.682 13.426 1.00 0.00 N ATOM 755 CA LEU A 58 -5.972 -4.307 12.722 1.00 0.00 C ATOM 756 C LEU A 58 -5.996 -4.845 11.277 1.00 0.00 C ATOM 757 O LEU A 58 -6.881 -4.497 10.492 1.00 0.00 O ATOM 758 CB LEU A 58 -6.267 -2.772 12.793 1.00 0.00 C ATOM 759 CG LEU A 58 -5.176 -1.734 12.424 1.00 0.00 C ATOM 760 CD1 LEU A 58 -4.479 -1.218 13.665 1.00 0.00 C ATOM 761 CD2 LEU A 58 -4.173 -2.286 11.434 1.00 0.00 C ATOM 0 H LEU A 58 -4.075 -3.923 13.551 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.791 -4.792 13.252 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.123 -2.581 12.146 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.584 -2.554 13.813 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.681 -0.899 11.938 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.718 -0.491 13.380 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.208 -0.741 14.320 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.008 -2.049 14.190 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.429 -1.523 11.206 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.679 -3.157 11.864 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.688 -2.576 10.518 1.00 0.00 H new ATOM 773 N HIS A 59 -5.024 -5.713 10.964 1.00 0.00 N ATOM 774 CA HIS A 59 -4.883 -6.356 9.650 1.00 0.00 C ATOM 775 C HIS A 59 -4.685 -5.346 8.542 1.00 0.00 C ATOM 776 O HIS A 59 -5.593 -5.068 7.756 1.00 0.00 O ATOM 777 CB HIS A 59 -6.063 -7.276 9.338 1.00 0.00 C ATOM 778 CG HIS A 59 -5.779 -8.707 9.670 1.00 0.00 C ATOM 779 ND1 HIS A 59 -6.596 -9.751 9.295 1.00 0.00 N ATOM 780 CD2 HIS A 59 -4.737 -9.265 10.330 1.00 0.00 C ATOM 781 CE1 HIS A 59 -6.066 -10.889 9.712 1.00 0.00 C ATOM 782 NE2 HIS A 59 -4.939 -10.620 10.345 1.00 0.00 N ATOM 0 H HIS A 59 -4.302 -5.993 11.628 1.00 0.00 H new ATOM 0 HA HIS A 59 -3.984 -6.970 9.702 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -6.937 -6.943 9.898 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -6.313 -7.195 8.280 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -3.900 -8.739 10.765 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -6.485 -11.873 9.560 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -4.320 -11.308 10.775 1.00 0.00 H new ATOM 791 N LEU A 60 -3.487 -4.792 8.505 1.00 0.00 N ATOM 792 CA LEU A 60 -3.121 -3.796 7.537 1.00 0.00 C ATOM 793 C LEU A 60 -1.922 -4.242 6.717 1.00 0.00 C ATOM 794 O LEU A 60 -2.027 -4.466 5.512 1.00 0.00 O ATOM 795 CB LEU A 60 -2.805 -2.524 8.294 1.00 0.00 C ATOM 796 CG LEU A 60 -3.812 -1.420 8.112 1.00 0.00 C ATOM 797 CD1 LEU A 60 -3.358 -0.598 6.951 1.00 0.00 C ATOM 798 CD2 LEU A 60 -5.207 -1.988 7.888 1.00 0.00 C ATOM 0 H LEU A 60 -2.739 -5.029 9.157 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.941 -3.634 6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.730 -2.758 9.356 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.827 -2.162 7.977 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.875 -0.801 9.007 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.063 0.217 6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.371 -0.186 7.161 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.309 -1.223 6.060 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -5.916 -1.170 7.759 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.207 -2.612 6.994 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.498 -2.589 8.750 1.00 0.00 H new ATOM 810 N CYS A 61 -0.789 -4.378 7.383 1.00 0.00 N ATOM 811 CA CYS A 61 0.435 -4.810 6.735 1.00 0.00 C ATOM 812 C CYS A 61 1.146 -5.826 7.612 1.00 0.00 C ATOM 813 O CYS A 61 0.553 -6.229 8.632 1.00 0.00 O ATOM 814 CB CYS A 61 1.350 -3.614 6.438 1.00 0.00 C ATOM 815 SG CYS A 61 1.601 -2.474 7.829 1.00 0.00 S ATOM 816 OXT CYS A 61 2.274 -6.223 7.271 1.00 0.00 O ATOM 0 H CYS A 61 -0.692 -4.193 8.381 1.00 0.00 H new ATOM 0 HA CYS A 61 0.182 -5.278 5.783 1.00 0.00 H new ATOM 0 HB2 CYS A 61 2.321 -3.990 6.117 1.00 0.00 H new ATOM 0 HB3 CYS A 61 0.932 -3.055 5.601 1.00 0.00 H new TER 821 CYS A 61