USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 286 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 27 HIS HE2 : A 27 HIS NE2 : A 37 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -63:sc= 1.17 USER MOD Single : A 7 MET CE :methyl -151:sc=-0.00882 (180deg=-0.0483) USER MOD Single : A 8 LYS NZ :NH3+ -126:sc= -0.87 (180deg=-2.42!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0779 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 17 SER OG : rot -12:sc= 0.998 USER MOD Single : A 19 ASN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.00544 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -2.79 X(o=-2.8,f=-2.7!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.789 K(o=-0.79,f=-3.8!) USER MOD Single : A 35 LYS NZ :NH3+ -114:sc= -0.235 (180deg=-1.34) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.039 1.824 -15.259 1.00 0.00 N ATOM 2 CA GLY A 1 1.184 2.214 -16.129 1.00 0.00 C ATOM 3 C GLY A 1 0.930 3.507 -16.877 1.00 0.00 C ATOM 4 O GLY A 1 -0.065 3.635 -17.591 1.00 0.00 O ATOM 0 H1 GLY A 1 0.262 0.934 -14.770 1.00 0.00 H new ATOM 0 H2 GLY A 1 -0.134 2.571 -14.557 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.812 1.694 -15.843 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.080 2.321 -15.518 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.380 1.416 -16.845 1.00 0.00 H new ATOM 10 N SER A 2 1.832 4.470 -16.712 1.00 0.00 N ATOM 11 CA SER A 2 1.702 5.762 -17.377 1.00 0.00 C ATOM 12 C SER A 2 0.393 6.446 -16.993 1.00 0.00 C ATOM 13 O SER A 2 -0.325 5.980 -16.108 1.00 0.00 O ATOM 14 CB SER A 2 1.775 5.589 -18.895 1.00 0.00 C ATOM 15 OG SER A 2 0.519 5.206 -19.427 1.00 0.00 O ATOM 0 H SER A 2 2.660 4.380 -16.124 1.00 0.00 H new ATOM 0 HA SER A 2 2.528 6.393 -17.050 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.099 6.523 -19.355 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.523 4.836 -19.142 1.00 0.00 H new ATOM 0 HG SER A 2 0.264 4.331 -19.067 1.00 0.00 H new ATOM 21 N ALA A 3 0.091 7.552 -17.664 1.00 0.00 N ATOM 22 CA ALA A 3 -1.131 8.300 -17.393 1.00 0.00 C ATOM 23 C ALA A 3 -1.157 8.808 -15.956 1.00 0.00 C ATOM 24 O ALA A 3 -1.581 8.100 -15.043 1.00 0.00 O ATOM 25 CB ALA A 3 -2.351 7.435 -17.671 1.00 0.00 C ATOM 0 H ALA A 3 0.675 7.950 -18.399 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.153 9.165 -18.056 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -3.256 8.006 -17.465 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.347 7.126 -18.716 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.325 6.553 -17.032 1.00 0.00 H new ATOM 31 N ALA A 4 -0.701 10.041 -15.762 1.00 0.00 N ATOM 32 CA ALA A 4 -0.672 10.646 -14.435 1.00 0.00 C ATOM 33 C ALA A 4 -2.083 10.833 -13.886 1.00 0.00 C ATOM 34 O ALA A 4 -3.068 10.556 -14.571 1.00 0.00 O ATOM 35 CB ALA A 4 0.060 11.979 -14.479 1.00 0.00 C ATOM 0 H ALA A 4 -0.346 10.641 -16.507 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.137 9.972 -13.767 1.00 0.00 H new ATOM 0 HB1 ALA A 4 0.074 12.419 -13.482 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.083 11.821 -14.821 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.452 12.653 -15.166 1.00 0.00 H new ATOM 41 N GLU A 5 -2.171 11.304 -12.646 1.00 0.00 N ATOM 42 CA GLU A 5 -3.462 11.528 -12.005 1.00 0.00 C ATOM 43 C GLU A 5 -4.248 10.225 -11.895 1.00 0.00 C ATOM 44 O GLU A 5 -5.349 10.104 -12.432 1.00 0.00 O ATOM 45 CB GLU A 5 -4.270 12.566 -12.786 1.00 0.00 C ATOM 46 CG GLU A 5 -5.470 13.103 -12.024 1.00 0.00 C ATOM 47 CD GLU A 5 -6.771 12.453 -12.452 1.00 0.00 C ATOM 48 OE1 GLU A 5 -7.188 12.667 -13.610 1.00 0.00 O ATOM 49 OE2 GLU A 5 -7.373 11.730 -11.630 1.00 0.00 O ATOM 0 H GLU A 5 -1.365 11.538 -12.066 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.281 11.905 -10.999 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.617 13.398 -13.051 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.613 12.120 -13.719 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.321 12.940 -10.957 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.539 14.180 -12.175 1.00 0.00 H new ATOM 56 N VAL A 6 -3.674 9.252 -11.196 1.00 0.00 N ATOM 57 CA VAL A 6 -4.318 7.957 -11.015 1.00 0.00 C ATOM 58 C VAL A 6 -4.744 7.753 -9.565 1.00 0.00 C ATOM 59 O VAL A 6 -4.222 8.400 -8.657 1.00 0.00 O ATOM 60 CB VAL A 6 -3.384 6.805 -11.432 1.00 0.00 C ATOM 61 CG1 VAL A 6 -4.124 5.477 -11.401 1.00 0.00 C ATOM 62 CG2 VAL A 6 -2.798 7.066 -12.810 1.00 0.00 C ATOM 0 H VAL A 6 -2.763 9.336 -10.745 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.201 7.949 -11.654 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.563 6.751 -10.717 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.447 4.676 -11.699 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.489 5.287 -10.392 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.967 5.514 -12.091 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.141 6.242 -13.088 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.604 7.149 -13.539 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.228 7.995 -12.793 1.00 0.00 H new ATOM 72 N MET A 7 -5.695 6.849 -9.355 1.00 0.00 N ATOM 73 CA MET A 7 -6.191 6.558 -8.013 1.00 0.00 C ATOM 74 C MET A 7 -6.308 5.055 -7.792 1.00 0.00 C ATOM 75 O MET A 7 -7.404 4.522 -7.615 1.00 0.00 O ATOM 76 CB MET A 7 -7.548 7.233 -7.780 1.00 0.00 C ATOM 77 CG MET A 7 -8.385 7.394 -9.040 1.00 0.00 C ATOM 78 SD MET A 7 -8.686 5.828 -9.881 1.00 0.00 S ATOM 79 CE MET A 7 -8.423 6.305 -11.588 1.00 0.00 C ATOM 0 H MET A 7 -6.138 6.305 -10.096 1.00 0.00 H new ATOM 0 HA MET A 7 -5.474 6.958 -7.296 1.00 0.00 H new ATOM 0 HB2 MET A 7 -8.113 6.649 -7.054 1.00 0.00 H new ATOM 0 HB3 MET A 7 -7.382 8.216 -7.339 1.00 0.00 H new ATOM 0 HG2 MET A 7 -9.340 7.852 -8.781 1.00 0.00 H new ATOM 0 HG3 MET A 7 -7.879 8.077 -9.723 1.00 0.00 H new ATOM 0 HE1 MET A 7 -9.031 5.677 -12.239 1.00 0.00 H new ATOM 0 HE2 MET A 7 -8.708 7.349 -11.722 1.00 0.00 H new ATOM 0 HE3 MET A 7 -7.370 6.180 -11.843 1.00 0.00 H new ATOM 89 N LYS A 8 -5.166 4.379 -7.798 1.00 0.00 N ATOM 90 CA LYS A 8 -5.130 2.937 -7.594 1.00 0.00 C ATOM 91 C LYS A 8 -4.867 2.608 -6.128 1.00 0.00 C ATOM 92 O LYS A 8 -3.996 1.799 -5.807 1.00 0.00 O ATOM 93 CB LYS A 8 -4.057 2.298 -8.477 1.00 0.00 C ATOM 94 CG LYS A 8 -4.097 2.770 -9.922 1.00 0.00 C ATOM 95 CD LYS A 8 -3.848 1.626 -10.891 1.00 0.00 C ATOM 96 CE LYS A 8 -5.021 0.660 -10.925 1.00 0.00 C ATOM 97 NZ LYS A 8 -4.815 -0.498 -10.013 1.00 0.00 N ATOM 0 H LYS A 8 -4.252 4.807 -7.942 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.102 2.529 -7.873 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.075 2.519 -8.058 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.177 1.215 -8.454 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.067 3.220 -10.132 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.346 3.546 -10.073 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.675 2.025 -11.890 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -2.944 1.092 -10.600 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.933 1.186 -10.643 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.164 0.299 -11.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.931 -1.384 -10.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.856 -0.458 -9.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.514 -0.463 -9.244 1.00 0.00 H new ATOM 111 N LYS A 9 -5.628 3.241 -5.244 1.00 0.00 N ATOM 112 CA LYS A 9 -5.483 3.020 -3.810 1.00 0.00 C ATOM 113 C LYS A 9 -6.504 2.003 -3.313 1.00 0.00 C ATOM 114 O LYS A 9 -7.092 2.164 -2.244 1.00 0.00 O ATOM 115 CB LYS A 9 -5.640 4.338 -3.048 1.00 0.00 C ATOM 116 CG LYS A 9 -4.907 5.504 -3.691 1.00 0.00 C ATOM 117 CD LYS A 9 -5.861 6.416 -4.445 1.00 0.00 C ATOM 118 CE LYS A 9 -6.892 7.035 -3.515 1.00 0.00 C ATOM 119 NZ LYS A 9 -7.266 8.413 -3.937 1.00 0.00 N ATOM 0 H LYS A 9 -6.353 3.913 -5.495 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.484 2.624 -3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.700 4.582 -2.975 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.273 4.206 -2.030 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.387 6.076 -2.923 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.148 5.125 -4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.296 7.205 -4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -6.368 5.849 -5.226 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -7.783 6.408 -3.493 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.495 7.061 -2.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.971 8.799 -3.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.420 9.019 -3.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.668 8.385 -4.896 1.00 0.00 H new ATOM 133 N TYR A 10 -6.706 0.956 -4.102 1.00 0.00 N ATOM 134 CA TYR A 10 -7.653 -0.097 -3.755 1.00 0.00 C ATOM 135 C TYR A 10 -7.178 -1.447 -4.285 1.00 0.00 C ATOM 136 O TYR A 10 -7.344 -1.753 -5.465 1.00 0.00 O ATOM 137 CB TYR A 10 -9.039 0.229 -4.318 1.00 0.00 C ATOM 138 CG TYR A 10 -10.080 -0.828 -4.025 1.00 0.00 C ATOM 139 CD1 TYR A 10 -10.335 -1.236 -2.723 1.00 0.00 C ATOM 140 CD2 TYR A 10 -10.807 -1.417 -5.052 1.00 0.00 C ATOM 141 CE1 TYR A 10 -11.286 -2.202 -2.451 1.00 0.00 C ATOM 142 CE2 TYR A 10 -11.759 -2.384 -4.788 1.00 0.00 C ATOM 143 CZ TYR A 10 -11.994 -2.772 -3.487 1.00 0.00 C ATOM 144 OH TYR A 10 -12.941 -3.734 -3.220 1.00 0.00 O ATOM 0 H TYR A 10 -6.225 0.813 -4.990 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.716 -0.155 -2.668 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -9.374 1.180 -3.905 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.961 0.360 -5.397 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -9.781 -0.792 -1.909 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -10.626 -1.115 -6.073 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -11.473 -2.508 -1.432 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -12.316 -2.833 -5.597 1.00 0.00 H new ATOM 0 HH TYR A 10 -13.350 -4.032 -4.059 1.00 0.00 H new ATOM 154 N CYS A 11 -6.587 -2.249 -3.405 1.00 0.00 N ATOM 155 CA CYS A 11 -6.089 -3.565 -3.788 1.00 0.00 C ATOM 156 C CYS A 11 -7.203 -4.604 -3.722 1.00 0.00 C ATOM 157 O CYS A 11 -7.486 -5.160 -2.662 1.00 0.00 O ATOM 158 CB CYS A 11 -4.929 -3.980 -2.881 1.00 0.00 C ATOM 159 SG CYS A 11 -3.735 -5.108 -3.670 1.00 0.00 S ATOM 0 H CYS A 11 -6.442 -2.011 -2.424 1.00 0.00 H new ATOM 0 HA CYS A 11 -5.730 -3.508 -4.816 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.403 -3.085 -2.550 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.333 -4.461 -1.990 1.00 0.00 H new ATOM 164 N SER A 12 -7.835 -4.857 -4.863 1.00 0.00 N ATOM 165 CA SER A 12 -8.922 -5.826 -4.940 1.00 0.00 C ATOM 166 C SER A 12 -8.456 -7.211 -4.505 1.00 0.00 C ATOM 167 O SER A 12 -9.171 -7.926 -3.804 1.00 0.00 O ATOM 168 CB SER A 12 -9.480 -5.886 -6.363 1.00 0.00 C ATOM 169 OG SER A 12 -9.255 -4.668 -7.051 1.00 0.00 O ATOM 0 H SER A 12 -7.612 -4.403 -5.749 1.00 0.00 H new ATOM 0 HA SER A 12 -9.710 -5.501 -4.260 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.011 -6.706 -6.907 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.549 -6.096 -6.329 1.00 0.00 H new ATOM 0 HG SER A 12 -9.619 -4.733 -7.958 1.00 0.00 H new ATOM 175 N THR A 13 -7.252 -7.585 -4.927 1.00 0.00 N ATOM 176 CA THR A 13 -6.692 -8.887 -4.581 1.00 0.00 C ATOM 177 C THR A 13 -6.609 -9.058 -3.068 1.00 0.00 C ATOM 178 O THR A 13 -6.984 -10.101 -2.530 1.00 0.00 O ATOM 179 CB THR A 13 -5.303 -9.048 -5.202 1.00 0.00 C ATOM 180 OG1 THR A 13 -5.265 -8.487 -6.502 1.00 0.00 O ATOM 181 CG2 THR A 13 -4.861 -10.492 -5.312 1.00 0.00 C ATOM 0 H THR A 13 -6.646 -7.006 -5.508 1.00 0.00 H new ATOM 0 HA THR A 13 -7.352 -9.657 -4.979 1.00 0.00 H new ATOM 0 HB THR A 13 -4.624 -8.526 -4.528 1.00 0.00 H new ATOM 0 HG1 THR A 13 -4.368 -8.599 -6.880 1.00 0.00 H new ATOM 0 HG21 THR A 13 -3.868 -10.536 -5.760 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.831 -10.940 -4.319 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.565 -11.042 -5.936 1.00 0.00 H new ATOM 189 N CYS A 14 -6.116 -8.029 -2.390 1.00 0.00 N ATOM 190 CA CYS A 14 -5.981 -8.059 -0.942 1.00 0.00 C ATOM 191 C CYS A 14 -7.302 -7.709 -0.260 1.00 0.00 C ATOM 192 O CYS A 14 -7.542 -8.097 0.883 1.00 0.00 O ATOM 193 CB CYS A 14 -4.897 -7.077 -0.507 1.00 0.00 C ATOM 194 SG CYS A 14 -3.202 -7.617 -0.896 1.00 0.00 S ATOM 0 H CYS A 14 -5.802 -7.161 -2.823 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.701 -9.069 -0.644 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -5.079 -6.116 -0.987 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.978 -6.917 0.568 1.00 0.00 H new ATOM 199 N ASP A 15 -8.152 -6.972 -0.971 1.00 0.00 N ATOM 200 CA ASP A 15 -9.451 -6.560 -0.443 1.00 0.00 C ATOM 201 C ASP A 15 -9.293 -5.415 0.554 1.00 0.00 C ATOM 202 O ASP A 15 -9.775 -5.489 1.685 1.00 0.00 O ATOM 203 CB ASP A 15 -10.165 -7.742 0.223 1.00 0.00 C ATOM 204 CG ASP A 15 -11.674 -7.639 0.116 1.00 0.00 C ATOM 205 OD1 ASP A 15 -12.217 -7.971 -0.959 1.00 0.00 O ATOM 206 OD2 ASP A 15 -12.312 -7.228 1.108 1.00 0.00 O ATOM 0 H ASP A 15 -7.963 -6.646 -1.919 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.057 -6.211 -1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.833 -8.671 -0.240 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.880 -7.790 1.274 1.00 0.00 H new ATOM 211 N ILE A 16 -8.616 -4.354 0.124 1.00 0.00 N ATOM 212 CA ILE A 16 -8.396 -3.191 0.976 1.00 0.00 C ATOM 213 C ILE A 16 -8.288 -1.917 0.144 1.00 0.00 C ATOM 214 O ILE A 16 -8.078 -1.971 -1.067 1.00 0.00 O ATOM 215 CB ILE A 16 -7.117 -3.341 1.828 1.00 0.00 C ATOM 216 CG1 ILE A 16 -6.965 -4.781 2.322 1.00 0.00 C ATOM 217 CG2 ILE A 16 -7.148 -2.374 3.002 1.00 0.00 C ATOM 218 CD1 ILE A 16 -5.721 -5.007 3.155 1.00 0.00 C ATOM 0 H ILE A 16 -8.211 -4.276 -0.809 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.257 -3.123 1.641 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.256 -3.101 1.204 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.841 -5.048 2.913 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.943 -5.451 1.462 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -6.240 -2.491 3.594 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -7.209 -1.351 2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.017 -2.586 3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.679 -6.049 3.471 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.838 -4.772 2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -5.750 -4.363 4.034 1.00 0.00 H new ATOM 230 N SER A 17 -8.434 -0.773 0.803 1.00 0.00 N ATOM 231 CA SER A 17 -8.353 0.517 0.127 1.00 0.00 C ATOM 232 C SER A 17 -7.619 1.537 0.990 1.00 0.00 C ATOM 233 O SER A 17 -7.552 1.397 2.211 1.00 0.00 O ATOM 234 CB SER A 17 -9.755 1.030 -0.208 1.00 0.00 C ATOM 235 OG SER A 17 -9.760 1.733 -1.439 1.00 0.00 O ATOM 0 H SER A 17 -8.609 -0.712 1.806 1.00 0.00 H new ATOM 0 HA SER A 17 -7.793 0.380 -0.798 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.449 0.191 -0.262 1.00 0.00 H new ATOM 0 HB3 SER A 17 -10.106 1.684 0.590 1.00 0.00 H new ATOM 0 HG SER A 17 -8.837 1.905 -1.721 1.00 0.00 H new ATOM 241 N PHE A 18 -7.068 2.562 0.349 1.00 0.00 N ATOM 242 CA PHE A 18 -6.337 3.603 1.061 1.00 0.00 C ATOM 243 C PHE A 18 -6.680 4.984 0.511 1.00 0.00 C ATOM 244 O PHE A 18 -6.765 5.177 -0.701 1.00 0.00 O ATOM 245 CB PHE A 18 -4.830 3.362 0.955 1.00 0.00 C ATOM 246 CG PHE A 18 -4.439 1.917 1.084 1.00 0.00 C ATOM 247 CD1 PHE A 18 -4.669 1.225 2.262 1.00 0.00 C ATOM 248 CD2 PHE A 18 -3.844 1.249 0.025 1.00 0.00 C ATOM 249 CE1 PHE A 18 -4.313 -0.104 2.383 1.00 0.00 C ATOM 250 CE2 PHE A 18 -3.485 -0.080 0.139 1.00 0.00 C ATOM 251 CZ PHE A 18 -3.720 -0.758 1.320 1.00 0.00 C ATOM 0 H PHE A 18 -7.114 2.694 -0.661 1.00 0.00 H new ATOM 0 HA PHE A 18 -6.632 3.565 2.109 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.477 3.741 -0.004 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -4.324 3.937 1.730 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.132 1.731 3.096 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.659 1.774 -0.900 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.498 -0.631 3.307 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -3.021 -0.588 -0.693 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.441 -1.797 1.412 1.00 0.00 H new ATOM 261 N ASN A 19 -6.875 5.941 1.412 1.00 0.00 N ATOM 262 CA ASN A 19 -7.206 7.305 1.017 1.00 0.00 C ATOM 263 C ASN A 19 -5.969 8.037 0.504 1.00 0.00 C ATOM 264 O ASN A 19 -6.075 8.977 -0.284 1.00 0.00 O ATOM 265 CB ASN A 19 -7.811 8.067 2.197 1.00 0.00 C ATOM 266 CG ASN A 19 -8.931 7.296 2.870 1.00 0.00 C ATOM 267 OD1 ASN A 19 -8.920 7.096 4.085 1.00 0.00 O ATOM 268 ND2 ASN A 19 -9.906 6.860 2.081 1.00 0.00 N ATOM 0 H ASN A 19 -6.810 5.797 2.420 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.938 7.257 0.211 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -7.030 8.280 2.927 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.192 9.027 1.849 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.687 6.336 2.477 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.874 7.049 1.079 1.00 0.00 H new ATOM 275 N TYR A 20 -4.797 7.601 0.956 1.00 0.00 N ATOM 276 CA TYR A 20 -3.540 8.214 0.543 1.00 0.00 C ATOM 277 C TYR A 20 -2.778 7.301 -0.410 1.00 0.00 C ATOM 278 O TYR A 20 -2.595 6.115 -0.136 1.00 0.00 O ATOM 279 CB TYR A 20 -2.677 8.531 1.766 1.00 0.00 C ATOM 280 CG TYR A 20 -3.365 9.415 2.781 1.00 0.00 C ATOM 281 CD1 TYR A 20 -4.319 8.898 3.649 1.00 0.00 C ATOM 282 CD2 TYR A 20 -3.061 10.768 2.871 1.00 0.00 C ATOM 283 CE1 TYR A 20 -4.950 9.703 4.577 1.00 0.00 C ATOM 284 CE2 TYR A 20 -3.687 11.579 3.798 1.00 0.00 C ATOM 285 CZ TYR A 20 -4.631 11.042 4.648 1.00 0.00 C ATOM 286 OH TYR A 20 -5.257 11.847 5.573 1.00 0.00 O ATOM 0 H TYR A 20 -4.692 6.825 1.609 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.771 9.142 0.020 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -2.387 7.597 2.247 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.759 9.018 1.436 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.571 7.849 3.597 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.324 11.192 2.206 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -5.690 9.285 5.244 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -3.438 12.628 3.857 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.918 12.763 5.493 1.00 0.00 H new ATOM 296 N VAL A 21 -2.333 7.861 -1.530 1.00 0.00 N ATOM 297 CA VAL A 21 -1.588 7.097 -2.523 1.00 0.00 C ATOM 298 C VAL A 21 -0.329 6.490 -1.913 1.00 0.00 C ATOM 299 O VAL A 21 0.073 5.382 -2.270 1.00 0.00 O ATOM 300 CB VAL A 21 -1.193 7.973 -3.727 1.00 0.00 C ATOM 301 CG1 VAL A 21 -0.549 7.127 -4.817 1.00 0.00 C ATOM 302 CG2 VAL A 21 -2.403 8.720 -4.268 1.00 0.00 C ATOM 0 H VAL A 21 -2.476 8.841 -1.772 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.245 6.298 -2.868 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.463 8.709 -3.390 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.277 7.764 -5.659 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.346 6.645 -4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.254 6.366 -5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -2.102 9.333 -5.118 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.160 8.004 -4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.815 9.360 -3.487 1.00 0.00 H new ATOM 312 N LYS A 22 0.285 7.220 -0.988 1.00 0.00 N ATOM 313 CA LYS A 22 1.497 6.750 -0.324 1.00 0.00 C ATOM 314 C LYS A 22 1.268 5.386 0.316 1.00 0.00 C ATOM 315 O LYS A 22 2.177 4.558 0.386 1.00 0.00 O ATOM 316 CB LYS A 22 1.948 7.757 0.736 1.00 0.00 C ATOM 317 CG LYS A 22 2.108 9.172 0.203 1.00 0.00 C ATOM 318 CD LYS A 22 0.906 10.036 0.548 1.00 0.00 C ATOM 319 CE LYS A 22 0.542 10.965 -0.599 1.00 0.00 C ATOM 320 NZ LYS A 22 1.528 12.072 -0.753 1.00 0.00 N ATOM 0 H LYS A 22 -0.036 8.138 -0.681 1.00 0.00 H new ATOM 0 HA LYS A 22 2.280 6.653 -1.076 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.223 7.764 1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.897 7.427 1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.010 9.619 0.620 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.237 9.142 -0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.054 9.399 0.786 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.123 10.624 1.440 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.490 10.394 -1.526 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.450 11.384 -0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.244 12.683 -1.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.560 12.633 0.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 2.470 11.674 -0.943 1.00 0.00 H new ATOM 334 N THR A 23 0.044 5.158 0.779 1.00 0.00 N ATOM 335 CA THR A 23 -0.314 3.895 1.409 1.00 0.00 C ATOM 336 C THR A 23 -0.232 2.751 0.406 1.00 0.00 C ATOM 337 O THR A 23 0.376 1.715 0.677 1.00 0.00 O ATOM 338 CB THR A 23 -1.726 3.976 1.987 1.00 0.00 C ATOM 339 OG1 THR A 23 -1.887 5.153 2.759 1.00 0.00 O ATOM 340 CG2 THR A 23 -2.083 2.797 2.866 1.00 0.00 C ATOM 0 H THR A 23 -0.718 5.834 0.729 1.00 0.00 H new ATOM 0 HA THR A 23 0.393 3.703 2.216 1.00 0.00 H new ATOM 0 HB THR A 23 -2.390 3.978 1.123 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.798 5.186 3.118 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.098 2.919 3.243 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.019 1.877 2.285 1.00 0.00 H new ATOM 0 HG23 THR A 23 -1.389 2.745 3.704 1.00 0.00 H new ATOM 348 N TYR A 24 -0.846 2.949 -0.756 1.00 0.00 N ATOM 349 CA TYR A 24 -0.840 1.936 -1.804 1.00 0.00 C ATOM 350 C TYR A 24 0.574 1.701 -2.313 1.00 0.00 C ATOM 351 O TYR A 24 0.939 0.582 -2.674 1.00 0.00 O ATOM 352 CB TYR A 24 -1.745 2.363 -2.960 1.00 0.00 C ATOM 353 CG TYR A 24 -2.200 1.212 -3.829 1.00 0.00 C ATOM 354 CD1 TYR A 24 -3.298 0.440 -3.472 1.00 0.00 C ATOM 355 CD2 TYR A 24 -1.531 0.898 -5.005 1.00 0.00 C ATOM 356 CE1 TYR A 24 -3.716 -0.613 -4.263 1.00 0.00 C ATOM 357 CE2 TYR A 24 -1.943 -0.152 -5.801 1.00 0.00 C ATOM 358 CZ TYR A 24 -3.035 -0.905 -5.427 1.00 0.00 C ATOM 359 OH TYR A 24 -3.449 -1.952 -6.217 1.00 0.00 O ATOM 0 H TYR A 24 -1.353 3.801 -0.995 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.219 1.005 -1.382 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -2.621 2.871 -2.556 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -1.214 3.086 -3.578 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -3.834 0.666 -2.562 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -0.674 1.485 -5.302 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.571 -1.204 -3.972 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -1.412 -0.382 -6.713 1.00 0.00 H new ATOM 0 HH TYR A 24 -2.863 -2.023 -7.000 1.00 0.00 H new ATOM 369 N LEU A 25 1.367 2.766 -2.336 1.00 0.00 N ATOM 370 CA LEU A 25 2.748 2.679 -2.796 1.00 0.00 C ATOM 371 C LEU A 25 3.534 1.691 -1.947 1.00 0.00 C ATOM 372 O LEU A 25 3.999 0.664 -2.439 1.00 0.00 O ATOM 373 CB LEU A 25 3.412 4.057 -2.751 1.00 0.00 C ATOM 374 CG LEU A 25 2.913 5.051 -3.800 1.00 0.00 C ATOM 375 CD1 LEU A 25 3.594 6.400 -3.623 1.00 0.00 C ATOM 376 CD2 LEU A 25 3.151 4.511 -5.202 1.00 0.00 C ATOM 0 H LEU A 25 1.078 3.699 -2.042 1.00 0.00 H new ATOM 0 HA LEU A 25 2.744 2.324 -3.827 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.255 4.487 -1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.487 3.929 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 25 1.840 5.188 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.227 7.095 -4.378 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.372 6.792 -2.630 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.672 6.281 -3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.790 5.232 -5.936 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.218 4.345 -5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.616 3.569 -5.325 1.00 0.00 H new ATOM 388 N ALA A 26 3.669 2.007 -0.667 1.00 0.00 N ATOM 389 CA ALA A 26 4.389 1.148 0.262 1.00 0.00 C ATOM 390 C ALA A 26 3.784 -0.251 0.294 1.00 0.00 C ATOM 391 O ALA A 26 4.447 -1.218 0.669 1.00 0.00 O ATOM 392 CB ALA A 26 4.392 1.760 1.655 1.00 0.00 C ATOM 0 H ALA A 26 3.288 2.855 -0.247 1.00 0.00 H new ATOM 0 HA ALA A 26 5.419 1.062 -0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.934 1.106 2.338 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.878 2.735 1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.366 1.878 2.003 1.00 0.00 H new ATOM 398 N HIS A 27 2.520 -0.348 -0.105 1.00 0.00 N ATOM 399 CA HIS A 27 1.819 -1.625 -0.127 1.00 0.00 C ATOM 400 C HIS A 27 2.290 -2.479 -1.299 1.00 0.00 C ATOM 401 O HIS A 27 2.845 -3.560 -1.105 1.00 0.00 O ATOM 402 CB HIS A 27 0.307 -1.395 -0.218 1.00 0.00 C ATOM 403 CG HIS A 27 -0.496 -2.658 -0.270 1.00 0.00 C ATOM 404 ND1 HIS A 27 -1.094 -3.234 0.830 1.00 0.00 N ATOM 405 CD2 HIS A 27 -0.799 -3.461 -1.323 1.00 0.00 C ATOM 406 CE1 HIS A 27 -1.726 -4.342 0.421 1.00 0.00 C ATOM 407 NE2 HIS A 27 -1.578 -4.525 -0.877 1.00 0.00 N ATOM 0 H HIS A 27 1.960 0.445 -0.418 1.00 0.00 H new ATOM 0 HA HIS A 27 2.043 -2.156 0.798 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -0.014 -0.807 0.642 1.00 0.00 H new ATOM 0 HB3 HIS A 27 0.092 -0.802 -1.107 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -1.061 -2.880 1.786 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -0.485 -3.300 -2.344 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -2.284 -5.000 1.070 1.00 0.00 H new ATOM 415 N LYS A 28 2.072 -1.987 -2.512 1.00 0.00 N ATOM 416 CA LYS A 28 2.482 -2.709 -3.709 1.00 0.00 C ATOM 417 C LYS A 28 4.001 -2.842 -3.772 1.00 0.00 C ATOM 418 O LYS A 28 4.530 -3.672 -4.511 1.00 0.00 O ATOM 419 CB LYS A 28 1.966 -1.998 -4.962 1.00 0.00 C ATOM 420 CG LYS A 28 2.368 -0.534 -5.040 1.00 0.00 C ATOM 421 CD LYS A 28 3.546 -0.328 -5.980 1.00 0.00 C ATOM 422 CE LYS A 28 3.414 0.970 -6.762 1.00 0.00 C ATOM 423 NZ LYS A 28 3.865 0.816 -8.173 1.00 0.00 N ATOM 0 H LYS A 28 1.615 -1.093 -2.692 1.00 0.00 H new ATOM 0 HA LYS A 28 2.051 -3.709 -3.665 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.341 -2.517 -5.844 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.879 -2.069 -4.988 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.520 0.059 -5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.628 -0.174 -4.045 1.00 0.00 H new ATOM 0 HD2 LYS A 28 4.473 -0.316 -5.406 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.611 -1.167 -6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.375 1.299 -6.747 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.002 1.748 -6.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.759 1.722 -8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.864 0.527 -8.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.287 0.091 -8.645 1.00 0.00 H new ATOM 437 N GLN A 29 4.699 -2.019 -2.993 1.00 0.00 N ATOM 438 CA GLN A 29 6.155 -2.047 -2.963 1.00 0.00 C ATOM 439 C GLN A 29 6.665 -3.373 -2.406 1.00 0.00 C ATOM 440 O GLN A 29 7.318 -4.142 -3.113 1.00 0.00 O ATOM 441 CB GLN A 29 6.690 -0.888 -2.121 1.00 0.00 C ATOM 442 CG GLN A 29 6.844 0.409 -2.900 1.00 0.00 C ATOM 443 CD GLN A 29 6.966 1.620 -1.997 1.00 0.00 C ATOM 444 OE1 GLN A 29 7.460 1.524 -0.874 1.00 0.00 O ATOM 445 NE2 GLN A 29 6.516 2.770 -2.484 1.00 0.00 N ATOM 0 H GLN A 29 4.278 -1.325 -2.375 1.00 0.00 H new ATOM 0 HA GLN A 29 6.516 -1.942 -3.986 1.00 0.00 H new ATOM 0 HB2 GLN A 29 6.017 -0.720 -1.280 1.00 0.00 H new ATOM 0 HB3 GLN A 29 7.657 -1.169 -1.704 1.00 0.00 H new ATOM 0 HG2 GLN A 29 7.727 0.344 -3.536 1.00 0.00 H new ATOM 0 HG3 GLN A 29 5.985 0.537 -3.559 1.00 0.00 H new ATOM 0 HE21 GLN A 29 6.114 2.805 -3.421 1.00 0.00 H new ATOM 0 HE22 GLN A 29 6.573 3.619 -1.922 1.00 0.00 H new ATOM 454 N PHE A 30 6.377 -3.631 -1.134 1.00 0.00 N ATOM 455 CA PHE A 30 6.822 -4.862 -0.489 1.00 0.00 C ATOM 456 C PHE A 30 5.845 -5.332 0.586 1.00 0.00 C ATOM 457 O PHE A 30 6.197 -6.150 1.436 1.00 0.00 O ATOM 458 CB PHE A 30 8.197 -4.659 0.139 1.00 0.00 C ATOM 459 CG PHE A 30 8.464 -3.249 0.588 1.00 0.00 C ATOM 460 CD1 PHE A 30 7.965 -2.788 1.797 1.00 0.00 C ATOM 461 CD2 PHE A 30 9.211 -2.386 -0.197 1.00 0.00 C ATOM 462 CE1 PHE A 30 8.208 -1.493 2.212 1.00 0.00 C ATOM 463 CE2 PHE A 30 9.457 -1.090 0.213 1.00 0.00 C ATOM 464 CZ PHE A 30 8.954 -0.642 1.421 1.00 0.00 C ATOM 0 H PHE A 30 5.840 -3.007 -0.532 1.00 0.00 H new ATOM 0 HA PHE A 30 6.872 -5.629 -1.262 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.296 -5.327 0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.961 -4.950 -0.582 1.00 0.00 H new ATOM 0 HD1 PHE A 30 7.380 -3.448 2.421 1.00 0.00 H new ATOM 0 HD2 PHE A 30 9.606 -2.731 -1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.814 -1.146 3.156 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.041 -0.428 -0.409 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.144 0.371 1.745 1.00 0.00 H new ATOM 474 N TYR A 31 4.623 -4.819 0.551 1.00 0.00 N ATOM 475 CA TYR A 31 3.611 -5.201 1.531 1.00 0.00 C ATOM 476 C TYR A 31 2.536 -6.078 0.897 1.00 0.00 C ATOM 477 O TYR A 31 1.825 -6.805 1.591 1.00 0.00 O ATOM 478 CB TYR A 31 2.974 -3.955 2.151 1.00 0.00 C ATOM 479 CG TYR A 31 2.944 -3.978 3.662 1.00 0.00 C ATOM 480 CD1 TYR A 31 4.121 -3.988 4.400 1.00 0.00 C ATOM 481 CD2 TYR A 31 1.738 -3.992 4.352 1.00 0.00 C ATOM 482 CE1 TYR A 31 4.098 -4.009 5.780 1.00 0.00 C ATOM 483 CE2 TYR A 31 1.706 -4.013 5.732 1.00 0.00 C ATOM 484 CZ TYR A 31 2.888 -4.022 6.442 1.00 0.00 C ATOM 485 OH TYR A 31 2.860 -4.043 7.819 1.00 0.00 O ATOM 0 H TYR A 31 4.307 -4.140 -0.142 1.00 0.00 H new ATOM 0 HA TYR A 31 4.103 -5.777 2.315 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.524 -3.074 1.820 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.955 -3.854 1.777 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.070 -3.979 3.885 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.810 -3.986 3.799 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.022 -4.015 6.338 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.760 -4.022 6.253 1.00 0.00 H new ATOM 0 HH TYR A 31 1.930 -4.049 8.127 1.00 0.00 H new ATOM 495 N CYS A 32 2.422 -6.006 -0.425 1.00 0.00 N ATOM 496 CA CYS A 32 1.434 -6.794 -1.151 1.00 0.00 C ATOM 497 C CYS A 32 1.962 -8.195 -1.443 1.00 0.00 C ATOM 498 O CYS A 32 3.171 -8.407 -1.538 1.00 0.00 O ATOM 499 CB CYS A 32 1.063 -6.094 -2.458 1.00 0.00 C ATOM 500 SG CYS A 32 -0.417 -6.778 -3.272 1.00 0.00 S ATOM 0 H CYS A 32 3.002 -5.410 -1.015 1.00 0.00 H new ATOM 0 HA CYS A 32 0.545 -6.885 -0.527 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.898 -5.036 -2.257 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.906 -6.160 -3.145 1.00 0.00 H new ATOM 505 N LYS A 33 1.047 -9.149 -1.583 1.00 0.00 N ATOM 506 CA LYS A 33 1.420 -10.530 -1.865 1.00 0.00 C ATOM 507 C LYS A 33 1.271 -10.842 -3.350 1.00 0.00 C ATOM 508 O LYS A 33 0.997 -11.981 -3.730 1.00 0.00 O ATOM 509 CB LYS A 33 0.560 -11.490 -1.041 1.00 0.00 C ATOM 510 CG LYS A 33 0.440 -11.096 0.423 1.00 0.00 C ATOM 511 CD LYS A 33 1.190 -12.062 1.327 1.00 0.00 C ATOM 512 CE LYS A 33 0.442 -13.377 1.479 1.00 0.00 C ATOM 513 NZ LYS A 33 1.368 -14.523 1.695 1.00 0.00 N ATOM 0 H LYS A 33 0.042 -8.991 -1.506 1.00 0.00 H new ATOM 0 HA LYS A 33 2.466 -10.661 -1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.437 -11.538 -1.479 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.985 -12.492 -1.105 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.831 -10.088 0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.612 -11.072 0.709 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.182 -12.252 0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.333 -11.608 2.308 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.249 -13.306 2.319 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.158 -13.558 0.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 0.818 -15.400 1.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.011 -14.607 0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.922 -14.363 2.560 1.00 0.00 H new ATOM 527 N ASN A 34 1.453 -9.825 -4.186 1.00 0.00 N ATOM 528 CA ASN A 34 1.339 -9.992 -5.630 1.00 0.00 C ATOM 529 C ASN A 34 2.665 -9.688 -6.320 1.00 0.00 C ATOM 530 O ASN A 34 2.797 -8.682 -7.018 1.00 0.00 O ATOM 531 CB ASN A 34 0.240 -9.083 -6.184 1.00 0.00 C ATOM 532 CG ASN A 34 -1.144 -9.680 -6.018 1.00 0.00 C ATOM 533 OD1 ASN A 34 -1.940 -9.214 -5.203 1.00 0.00 O ATOM 534 ND2 ASN A 34 -1.436 -10.720 -6.792 1.00 0.00 N ATOM 0 H ASN A 34 1.680 -8.876 -3.888 1.00 0.00 H new ATOM 0 HA ASN A 34 1.077 -11.031 -5.831 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.280 -8.119 -5.677 1.00 0.00 H new ATOM 0 HB3 ASN A 34 0.427 -8.895 -7.241 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.351 -11.165 -6.724 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.745 -11.073 -7.454 1.00 0.00 H new ATOM 541 N LYS A 35 3.646 -10.567 -6.117 1.00 0.00 N ATOM 542 CA LYS A 35 4.972 -10.405 -6.715 1.00 0.00 C ATOM 543 C LYS A 35 5.460 -8.960 -6.611 1.00 0.00 C ATOM 544 O LYS A 35 5.546 -8.251 -7.613 1.00 0.00 O ATOM 545 CB LYS A 35 4.956 -10.851 -8.180 1.00 0.00 C ATOM 546 CG LYS A 35 3.864 -10.193 -9.010 1.00 0.00 C ATOM 547 CD LYS A 35 3.997 -10.544 -10.483 1.00 0.00 C ATOM 548 CE LYS A 35 3.786 -12.030 -10.722 1.00 0.00 C ATOM 549 NZ LYS A 35 5.065 -12.790 -10.657 1.00 0.00 N ATOM 0 H LYS A 35 3.547 -11.402 -5.540 1.00 0.00 H new ATOM 0 HA LYS A 35 5.665 -11.036 -6.158 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.924 -10.628 -8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.828 -11.933 -8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.887 -10.511 -8.646 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.914 -9.111 -8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.269 -9.974 -11.061 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.985 -10.254 -10.840 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.092 -12.422 -9.978 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.324 -12.179 -11.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.285 -13.181 -11.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.832 -12.154 -10.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.973 -13.567 -9.971 1.00 0.00 H new ATOM 563 N PRO A 36 5.787 -8.505 -5.389 1.00 0.00 N ATOM 564 CA PRO A 36 6.268 -7.139 -5.158 1.00 0.00 C ATOM 565 C PRO A 36 7.667 -6.916 -5.720 1.00 0.00 C ATOM 566 O PRO A 36 8.151 -5.766 -5.659 1.00 0.00 O ATOM 567 CB PRO A 36 6.279 -7.019 -3.633 1.00 0.00 C ATOM 568 CG PRO A 36 6.432 -8.417 -3.143 1.00 0.00 C ATOM 569 CD PRO A 36 5.714 -9.286 -4.138 1.00 0.00 C ATOM 570 OXT PRO A 36 8.268 -7.891 -6.217 1.00 1.00 O ATOM 0 HA PRO A 36 5.641 -6.397 -5.652 1.00 0.00 H new ATOM 0 HB2 PRO A 36 7.100 -6.388 -3.292 1.00 0.00 H new ATOM 0 HB3 PRO A 36 5.357 -6.569 -3.265 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.484 -8.693 -3.072 1.00 0.00 H new ATOM 0 HG3 PRO A 36 6.005 -8.530 -2.147 1.00 0.00 H new ATOM 0 HD2 PRO A 36 6.195 -10.259 -4.243 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.682 -9.471 -3.839 1.00 0.00 H new TER 578 PRO A 36 HETATM 579 ZN ZN A 37 -2.231 -5.939 -2.135 1.00 1.00 ZN