USER MOD reduce.3.24.130724 H: found=0, std=0, add=261, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 261 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 ASN : amide:sc= -2.13 X(o=-2,f=-1.6) USER MOD Set 1.2: A 7 SER OG : rot 180:sc= 0.0829 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= -0.0144 X(o=-0.014,f=-0.014) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00437 USER MOD Single : A 21 THR OG1 : rot 111:sc= -0.639! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -8.9! C(o=-8.9!,f=-3.4!) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -128:sc= 0.49 (180deg=-1.01) USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= -1.16 (180deg=-1.18) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 10.119 4.494 -1.223 1.00 0.00 N ATOM 2 CA ASP A 1 9.423 5.784 -0.976 1.00 0.00 C ATOM 3 C ASP A 1 7.970 5.558 -0.571 1.00 0.00 C ATOM 4 O ASP A 1 7.166 5.058 -1.359 1.00 0.00 O ATOM 5 CB ASP A 1 9.490 6.625 -2.251 1.00 0.00 C ATOM 6 CG ASP A 1 10.410 7.822 -2.106 1.00 0.00 C ATOM 7 OD1 ASP A 1 11.641 7.620 -2.036 1.00 0.00 O ATOM 8 OD2 ASP A 1 9.900 8.961 -2.062 1.00 0.00 O ATOM 0 H1 ASP A 1 11.105 4.678 -1.497 1.00 0.00 H new ATOM 0 H2 ASP A 1 10.102 3.919 -0.357 1.00 0.00 H new ATOM 0 H3 ASP A 1 9.637 3.981 -1.989 1.00 0.00 H new ATOM 0 HA ASP A 1 9.916 6.305 -0.155 1.00 0.00 H new ATOM 0 HB2 ASP A 1 9.836 6.002 -3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 1 8.488 6.969 -2.509 1.00 0.00 H new ATOM 15 N HIS A 2 7.641 5.930 0.662 1.00 0.00 N ATOM 16 CA HIS A 2 6.285 5.772 1.175 1.00 0.00 C ATOM 17 C HIS A 2 5.289 6.566 0.334 1.00 0.00 C ATOM 18 O HIS A 2 5.163 7.781 0.485 1.00 0.00 O ATOM 19 CB HIS A 2 6.217 6.216 2.642 1.00 0.00 C ATOM 20 CG HIS A 2 4.822 6.436 3.148 1.00 0.00 C ATOM 21 ND1 HIS A 2 4.396 7.636 3.679 1.00 0.00 N ATOM 22 CD2 HIS A 2 3.753 5.605 3.200 1.00 0.00 C ATOM 23 CE1 HIS A 2 3.128 7.534 4.034 1.00 0.00 C ATOM 24 NE2 HIS A 2 2.715 6.312 3.753 1.00 0.00 N ATOM 0 H HIS A 2 8.296 6.344 1.325 1.00 0.00 H new ATOM 0 HA HIS A 2 6.017 4.717 1.114 1.00 0.00 H new ATOM 0 HB2 HIS A 2 6.703 5.463 3.262 1.00 0.00 H new ATOM 0 HB3 HIS A 2 6.785 7.139 2.758 1.00 0.00 H new ATOM 0 HD2 HIS A 2 3.723 4.578 2.868 1.00 0.00 H new ATOM 0 HE1 HIS A 2 2.531 8.317 4.478 1.00 0.00 H new ATOM 0 HE2 HIS A 2 1.776 5.951 3.920 1.00 0.00 H new ATOM 33 N TYR A 3 4.581 5.868 -0.549 1.00 0.00 N ATOM 34 CA TYR A 3 3.591 6.505 -1.410 1.00 0.00 C ATOM 35 C TYR A 3 2.481 7.124 -0.570 1.00 0.00 C ATOM 36 O TYR A 3 2.333 6.799 0.608 1.00 0.00 O ATOM 37 CB TYR A 3 3.000 5.481 -2.381 1.00 0.00 C ATOM 38 CG TYR A 3 2.673 6.050 -3.744 1.00 0.00 C ATOM 39 CD1 TYR A 3 3.617 6.047 -4.763 1.00 0.00 C ATOM 40 CD2 TYR A 3 1.420 6.587 -4.012 1.00 0.00 C ATOM 41 CE1 TYR A 3 3.323 6.564 -6.010 1.00 0.00 C ATOM 42 CE2 TYR A 3 1.118 7.106 -5.257 1.00 0.00 C ATOM 43 CZ TYR A 3 2.072 7.092 -6.253 1.00 0.00 C ATOM 44 OH TYR A 3 1.776 7.608 -7.493 1.00 0.00 O ATOM 0 H TYR A 3 4.675 4.862 -0.687 1.00 0.00 H new ATOM 0 HA TYR A 3 4.082 7.293 -1.981 1.00 0.00 H new ATOM 0 HB2 TYR A 3 3.705 4.658 -2.501 1.00 0.00 H new ATOM 0 HB3 TYR A 3 2.093 5.062 -1.945 1.00 0.00 H new ATOM 0 HD1 TYR A 3 4.597 5.634 -4.577 1.00 0.00 H new ATOM 0 HD2 TYR A 3 0.670 6.599 -3.235 1.00 0.00 H new ATOM 0 HE1 TYR A 3 4.069 6.555 -6.791 1.00 0.00 H new ATOM 0 HE2 TYR A 3 0.139 7.521 -5.449 1.00 0.00 H new ATOM 0 HH TYR A 3 0.853 7.939 -7.498 1.00 0.00 H new ATOM 54 N ASN A 4 1.701 8.014 -1.175 1.00 0.00 N ATOM 55 CA ASN A 4 0.608 8.662 -0.464 1.00 0.00 C ATOM 56 C ASN A 4 -0.594 7.737 -0.378 1.00 0.00 C ATOM 57 O ASN A 4 -1.596 7.918 -1.071 1.00 0.00 O ATOM 58 CB ASN A 4 0.225 9.983 -1.134 1.00 0.00 C ATOM 59 CG ASN A 4 -0.949 10.660 -0.455 1.00 0.00 C ATOM 60 OD1 ASN A 4 -2.016 10.822 -1.047 1.00 0.00 O ATOM 61 ND2 ASN A 4 -0.755 11.062 0.796 1.00 0.00 N ATOM 0 H ASN A 4 1.805 8.300 -2.148 1.00 0.00 H new ATOM 0 HA ASN A 4 0.947 8.884 0.548 1.00 0.00 H new ATOM 0 HB2 ASN A 4 1.084 10.655 -1.123 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -0.021 9.798 -2.180 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -1.507 11.526 1.305 1.00 0.00 H new ATOM 0 HD22 ASN A 4 0.146 10.907 1.248 1.00 0.00 H new ATOM 68 N CYS A 5 -0.475 6.745 0.490 1.00 0.00 N ATOM 69 CA CYS A 5 -1.531 5.770 0.706 1.00 0.00 C ATOM 70 C CYS A 5 -2.245 6.060 2.021 1.00 0.00 C ATOM 71 O CYS A 5 -3.461 6.251 2.053 1.00 0.00 O ATOM 72 CB CYS A 5 -0.947 4.358 0.719 1.00 0.00 C ATOM 73 SG CYS A 5 0.746 4.250 0.053 1.00 0.00 S ATOM 0 H CYS A 5 0.355 6.594 1.063 1.00 0.00 H new ATOM 0 HA CYS A 5 -2.252 5.841 -0.108 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.948 3.985 1.743 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -1.597 3.702 0.140 1.00 0.00 H new ATOM 78 N VAL A 6 -1.468 6.109 3.102 1.00 0.00 N ATOM 79 CA VAL A 6 -2.002 6.397 4.431 1.00 0.00 C ATOM 80 C VAL A 6 -2.768 7.721 4.450 1.00 0.00 C ATOM 81 O VAL A 6 -3.403 8.064 5.447 1.00 0.00 O ATOM 82 CB VAL A 6 -0.880 6.433 5.492 1.00 0.00 C ATOM 83 CG1 VAL A 6 -0.211 7.799 5.538 1.00 0.00 C ATOM 84 CG2 VAL A 6 -1.430 6.054 6.860 1.00 0.00 C ATOM 0 H VAL A 6 -0.460 5.952 3.082 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.692 5.590 4.677 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.123 5.702 5.209 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.574 7.794 6.294 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.224 8.024 4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.951 8.558 5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.627 6.084 7.596 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.211 6.758 7.146 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.847 5.048 6.819 1.00 0.00 H new ATOM 94 N SER A 7 -2.684 8.459 3.340 1.00 0.00 N ATOM 95 CA SER A 7 -3.348 9.756 3.200 1.00 0.00 C ATOM 96 C SER A 7 -4.697 9.780 3.914 1.00 0.00 C ATOM 97 O SER A 7 -4.963 10.662 4.730 1.00 0.00 O ATOM 98 CB SER A 7 -3.547 10.087 1.720 1.00 0.00 C ATOM 99 OG SER A 7 -3.726 11.480 1.528 1.00 0.00 O ATOM 0 H SER A 7 -2.155 8.175 2.516 1.00 0.00 H new ATOM 0 HA SER A 7 -2.706 10.505 3.663 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.684 9.746 1.149 1.00 0.00 H new ATOM 0 HB3 SER A 7 -4.415 9.550 1.337 1.00 0.00 H new ATOM 0 HG SER A 7 -3.849 11.665 0.574 1.00 0.00 H new ATOM 105 N SER A 8 -5.542 8.804 3.600 1.00 0.00 N ATOM 106 CA SER A 8 -6.865 8.711 4.209 1.00 0.00 C ATOM 107 C SER A 8 -6.983 7.453 5.061 1.00 0.00 C ATOM 108 O SER A 8 -7.943 7.289 5.815 1.00 0.00 O ATOM 109 CB SER A 8 -7.948 8.712 3.128 1.00 0.00 C ATOM 110 OG SER A 8 -7.611 7.834 2.068 1.00 0.00 O ATOM 0 H SER A 8 -5.335 8.066 2.927 1.00 0.00 H new ATOM 0 HA SER A 8 -7.003 9.579 4.853 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.901 8.412 3.563 1.00 0.00 H new ATOM 0 HB3 SER A 8 -8.078 9.722 2.740 1.00 0.00 H new ATOM 0 HG SER A 8 -8.319 7.851 1.391 1.00 0.00 H new ATOM 116 N GLY A 9 -6.002 6.566 4.934 1.00 0.00 N ATOM 117 CA GLY A 9 -6.013 5.331 5.694 1.00 0.00 C ATOM 118 C GLY A 9 -5.425 4.172 4.916 1.00 0.00 C ATOM 119 O GLY A 9 -5.832 3.023 5.095 1.00 0.00 O ATOM 0 H GLY A 9 -5.198 6.681 4.317 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.449 5.470 6.617 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -7.037 5.092 5.979 1.00 0.00 H new ATOM 123 N GLY A 10 -4.463 4.475 4.050 1.00 0.00 N ATOM 124 CA GLY A 10 -3.829 3.445 3.251 1.00 0.00 C ATOM 125 C GLY A 10 -3.104 2.418 4.097 1.00 0.00 C ATOM 126 O GLY A 10 -3.024 2.553 5.318 1.00 0.00 O ATOM 0 H GLY A 10 -4.111 5.419 3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -4.584 2.944 2.645 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.122 3.908 2.562 1.00 0.00 H new ATOM 130 N GLN A 11 -2.576 1.387 3.446 1.00 0.00 N ATOM 131 CA GLN A 11 -1.856 0.329 4.148 1.00 0.00 C ATOM 132 C GLN A 11 -0.780 -0.287 3.261 1.00 0.00 C ATOM 133 O GLN A 11 -0.858 -0.221 2.034 1.00 0.00 O ATOM 134 CB GLN A 11 -2.827 -0.758 4.616 1.00 0.00 C ATOM 135 CG GLN A 11 -4.038 -0.926 3.712 1.00 0.00 C ATOM 136 CD GLN A 11 -4.902 -2.108 4.108 1.00 0.00 C ATOM 137 OE1 GLN A 11 -4.394 -3.173 4.459 1.00 0.00 O ATOM 138 NE2 GLN A 11 -6.216 -1.924 4.053 1.00 0.00 N ATOM 0 H GLN A 11 -2.632 1.261 2.435 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.372 0.776 5.017 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.295 -1.707 4.676 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -3.167 -0.520 5.624 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.638 -0.016 3.741 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -3.703 -1.054 2.683 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -6.593 -1.024 3.756 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -6.848 -2.683 4.308 1.00 0.00 H new ATOM 147 N CYS A 12 0.222 -0.888 3.892 1.00 0.00 N ATOM 148 CA CYS A 12 1.316 -1.521 3.165 1.00 0.00 C ATOM 149 C CYS A 12 1.526 -2.954 3.643 1.00 0.00 C ATOM 150 O CYS A 12 1.958 -3.183 4.773 1.00 0.00 O ATOM 151 CB CYS A 12 2.607 -0.720 3.341 1.00 0.00 C ATOM 152 SG CYS A 12 2.370 1.088 3.369 1.00 0.00 S ATOM 0 H CYS A 12 0.299 -0.950 4.907 1.00 0.00 H new ATOM 0 HA CYS A 12 1.052 -1.542 2.108 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.087 -1.026 4.270 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.291 -0.973 2.531 1.00 0.00 H new ATOM 157 N LEU A 13 1.220 -3.916 2.777 1.00 0.00 N ATOM 158 CA LEU A 13 1.378 -5.327 3.115 1.00 0.00 C ATOM 159 C LEU A 13 1.923 -6.115 1.928 1.00 0.00 C ATOM 160 O LEU A 13 1.658 -5.781 0.773 1.00 0.00 O ATOM 161 CB LEU A 13 0.045 -5.922 3.576 1.00 0.00 C ATOM 162 CG LEU A 13 -1.075 -5.897 2.534 1.00 0.00 C ATOM 163 CD1 LEU A 13 -2.017 -7.074 2.734 1.00 0.00 C ATOM 164 CD2 LEU A 13 -1.841 -4.584 2.607 1.00 0.00 C ATOM 0 H LEU A 13 0.862 -3.745 1.837 1.00 0.00 H new ATOM 0 HA LEU A 13 2.095 -5.398 3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.213 -6.955 3.881 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.291 -5.379 4.460 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.626 -5.980 1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.807 -7.039 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.461 -8.006 2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.459 -7.021 3.729 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.634 -4.583 1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.278 -4.472 3.599 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.160 -3.755 2.415 1.00 0.00 H new ATOM 176 N TYR A 14 2.693 -7.158 2.224 1.00 0.00 N ATOM 177 CA TYR A 14 3.289 -7.995 1.188 1.00 0.00 C ATOM 178 C TYR A 14 2.221 -8.704 0.360 1.00 0.00 C ATOM 179 O TYR A 14 2.406 -8.941 -0.834 1.00 0.00 O ATOM 180 CB TYR A 14 4.223 -9.030 1.819 1.00 0.00 C ATOM 181 CG TYR A 14 5.182 -8.449 2.834 1.00 0.00 C ATOM 182 CD1 TYR A 14 6.404 -7.921 2.439 1.00 0.00 C ATOM 183 CD2 TYR A 14 4.866 -8.431 4.187 1.00 0.00 C ATOM 184 CE1 TYR A 14 7.285 -7.392 3.363 1.00 0.00 C ATOM 185 CE2 TYR A 14 5.741 -7.903 5.117 1.00 0.00 C ATOM 186 CZ TYR A 14 6.950 -7.385 4.700 1.00 0.00 C ATOM 187 OH TYR A 14 7.824 -6.859 5.623 1.00 0.00 O ATOM 0 H TYR A 14 2.919 -7.444 3.176 1.00 0.00 H new ATOM 0 HA TYR A 14 3.859 -7.345 0.524 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.622 -9.802 2.301 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.795 -9.518 1.030 1.00 0.00 H new ATOM 0 HD1 TYR A 14 6.670 -7.924 1.392 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.921 -8.836 4.517 1.00 0.00 H new ATOM 0 HE1 TYR A 14 8.232 -6.986 3.039 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.480 -7.896 6.165 1.00 0.00 H new ATOM 0 HH TYR A 14 7.435 -6.930 6.520 1.00 0.00 H new ATOM 197 N SER A 15 1.108 -9.046 1.000 1.00 0.00 N ATOM 198 CA SER A 15 0.016 -9.735 0.319 1.00 0.00 C ATOM 199 C SER A 15 -0.836 -8.761 -0.489 1.00 0.00 C ATOM 200 O SER A 15 -0.981 -7.595 -0.121 1.00 0.00 O ATOM 201 CB SER A 15 -0.860 -10.471 1.335 1.00 0.00 C ATOM 202 OG SER A 15 -0.102 -10.885 2.458 1.00 0.00 O ATOM 0 H SER A 15 0.938 -8.858 1.988 1.00 0.00 H new ATOM 0 HA SER A 15 0.455 -10.457 -0.370 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.671 -9.819 1.660 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.319 -11.339 0.862 1.00 0.00 H new ATOM 0 HG SER A 15 -0.685 -11.351 3.093 1.00 0.00 H new ATOM 208 N ALA A 16 -1.400 -9.251 -1.591 1.00 0.00 N ATOM 209 CA ALA A 16 -2.244 -8.434 -2.453 1.00 0.00 C ATOM 210 C ALA A 16 -3.385 -7.806 -1.667 1.00 0.00 C ATOM 211 O ALA A 16 -3.795 -8.320 -0.626 1.00 0.00 O ATOM 212 CB ALA A 16 -2.787 -9.270 -3.602 1.00 0.00 C ATOM 0 H ALA A 16 -1.286 -10.214 -1.907 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.634 -7.628 -2.861 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.416 -8.648 -4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -1.957 -9.666 -4.187 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.377 -10.096 -3.204 1.00 0.00 H new ATOM 218 N CYS A 17 -3.879 -6.685 -2.178 1.00 0.00 N ATOM 219 CA CYS A 17 -4.972 -5.952 -1.542 1.00 0.00 C ATOM 220 C CYS A 17 -6.054 -6.894 -1.011 1.00 0.00 C ATOM 221 O CYS A 17 -6.626 -7.681 -1.765 1.00 0.00 O ATOM 222 CB CYS A 17 -5.592 -4.972 -2.536 1.00 0.00 C ATOM 223 SG CYS A 17 -5.857 -3.305 -1.858 1.00 0.00 S ATOM 0 H CYS A 17 -3.537 -6.259 -3.039 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.553 -5.407 -0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.946 -4.899 -3.411 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.547 -5.371 -2.877 1.00 0.00 H new ATOM 228 N PRO A 18 -6.356 -6.819 0.301 1.00 0.00 N ATOM 229 CA PRO A 18 -7.372 -7.655 0.925 1.00 0.00 C ATOM 230 C PRO A 18 -8.768 -7.042 0.827 1.00 0.00 C ATOM 231 O PRO A 18 -9.580 -7.462 0.002 1.00 0.00 O ATOM 232 CB PRO A 18 -6.909 -7.728 2.379 1.00 0.00 C ATOM 233 CG PRO A 18 -6.127 -6.473 2.620 1.00 0.00 C ATOM 234 CD PRO A 18 -5.734 -5.908 1.276 1.00 0.00 C ATOM 0 HA PRO A 18 -7.463 -8.628 0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.759 -7.796 3.058 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.294 -8.611 2.550 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -6.725 -5.752 3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.241 -6.684 3.219 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -6.095 -4.887 1.153 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.651 -5.879 1.158 1.00 0.00 H new ATOM 242 N ILE A 19 -9.040 -6.046 1.671 1.00 0.00 N ATOM 243 CA ILE A 19 -10.333 -5.369 1.679 1.00 0.00 C ATOM 244 C ILE A 19 -10.669 -4.788 0.299 1.00 0.00 C ATOM 245 O ILE A 19 -9.974 -5.052 -0.682 1.00 0.00 O ATOM 246 CB ILE A 19 -10.372 -4.266 2.757 1.00 0.00 C ATOM 247 CG1 ILE A 19 -11.800 -4.057 3.264 1.00 0.00 C ATOM 248 CG2 ILE A 19 -9.789 -2.961 2.235 1.00 0.00 C ATOM 249 CD1 ILE A 19 -11.957 -4.310 4.748 1.00 0.00 C ATOM 0 H ILE A 19 -8.377 -5.690 2.360 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.091 -6.113 1.922 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.754 -4.595 3.593 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.110 -3.036 3.043 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.472 -4.719 2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -9.831 -2.204 3.019 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -8.752 -3.119 1.938 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -10.366 -2.624 1.374 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -12.994 -4.143 5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.679 -5.340 4.973 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.311 -3.630 5.303 1.00 0.00 H new ATOM 261 N PHE A 20 -11.742 -4.003 0.224 1.00 0.00 N ATOM 262 CA PHE A 20 -12.168 -3.402 -1.040 1.00 0.00 C ATOM 263 C PHE A 20 -11.223 -2.291 -1.506 1.00 0.00 C ATOM 264 O PHE A 20 -11.599 -1.464 -2.337 1.00 0.00 O ATOM 265 CB PHE A 20 -13.592 -2.851 -0.917 1.00 0.00 C ATOM 266 CG PHE A 20 -13.926 -2.326 0.451 1.00 0.00 C ATOM 267 CD1 PHE A 20 -13.304 -1.190 0.945 1.00 0.00 C ATOM 268 CD2 PHE A 20 -14.863 -2.971 1.243 1.00 0.00 C ATOM 269 CE1 PHE A 20 -13.611 -0.707 2.203 1.00 0.00 C ATOM 270 CE2 PHE A 20 -15.173 -2.493 2.502 1.00 0.00 C ATOM 271 CZ PHE A 20 -14.546 -1.360 2.983 1.00 0.00 C ATOM 0 H PHE A 20 -12.332 -3.768 1.022 1.00 0.00 H new ATOM 0 HA PHE A 20 -12.143 -4.193 -1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -13.726 -2.051 -1.645 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -14.299 -3.639 -1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -12.571 -0.677 0.340 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -15.356 -3.857 0.872 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -13.121 0.180 2.576 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -15.905 -3.005 3.109 1.00 0.00 H new ATOM 0 HZ PHE A 20 -14.786 -0.985 3.967 1.00 0.00 H new ATOM 281 N THR A 21 -9.998 -2.276 -0.985 1.00 0.00 N ATOM 282 CA THR A 21 -9.024 -1.263 -1.379 1.00 0.00 C ATOM 283 C THR A 21 -8.490 -1.547 -2.779 1.00 0.00 C ATOM 284 O THR A 21 -9.002 -2.418 -3.484 1.00 0.00 O ATOM 285 CB THR A 21 -7.837 -1.192 -0.398 1.00 0.00 C ATOM 286 OG1 THR A 21 -7.695 -2.436 0.295 1.00 0.00 O ATOM 287 CG2 THR A 21 -8.028 -0.064 0.604 1.00 0.00 C ATOM 0 H THR A 21 -9.659 -2.947 -0.296 1.00 0.00 H new ATOM 0 HA THR A 21 -9.544 -0.305 -1.366 1.00 0.00 H new ATOM 0 HB THR A 21 -6.933 -0.995 -0.974 1.00 0.00 H new ATOM 0 HG1 THR A 21 -6.877 -2.885 -0.003 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.178 -0.035 1.285 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.101 0.885 0.074 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.942 -0.233 1.173 1.00 0.00 H new ATOM 295 N LYS A 22 -7.457 -0.811 -3.177 1.00 0.00 N ATOM 296 CA LYS A 22 -6.854 -0.990 -4.493 1.00 0.00 C ATOM 297 C LYS A 22 -5.373 -0.626 -4.464 1.00 0.00 C ATOM 298 O LYS A 22 -5.005 0.492 -4.103 1.00 0.00 O ATOM 299 CB LYS A 22 -7.582 -0.137 -5.535 1.00 0.00 C ATOM 300 CG LYS A 22 -7.605 1.346 -5.203 1.00 0.00 C ATOM 301 CD LYS A 22 -8.946 1.975 -5.542 1.00 0.00 C ATOM 302 CE LYS A 22 -8.991 3.439 -5.137 1.00 0.00 C ATOM 303 NZ LYS A 22 -9.787 4.256 -6.095 1.00 0.00 N ATOM 0 H LYS A 22 -7.021 -0.086 -2.608 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.948 -2.041 -4.768 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.103 -0.276 -6.504 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.607 -0.494 -5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.395 1.485 -4.143 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.814 1.855 -5.754 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.131 1.886 -6.613 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.743 1.431 -5.035 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -9.422 3.527 -4.140 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.976 3.832 -5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -9.793 5.248 -5.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.362 4.193 -7.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.763 3.898 -6.130 1.00 0.00 H new ATOM 317 N ILE A 23 -4.525 -1.577 -4.846 1.00 0.00 N ATOM 318 CA ILE A 23 -3.086 -1.346 -4.862 1.00 0.00 C ATOM 319 C ILE A 23 -2.712 -0.403 -5.999 1.00 0.00 C ATOM 320 O ILE A 23 -3.126 -0.594 -7.143 1.00 0.00 O ATOM 321 CB ILE A 23 -2.285 -2.670 -4.982 1.00 0.00 C ATOM 322 CG1 ILE A 23 -0.944 -2.434 -5.692 1.00 0.00 C ATOM 323 CG2 ILE A 23 -3.100 -3.734 -5.708 1.00 0.00 C ATOM 324 CD1 ILE A 23 -0.148 -3.699 -5.943 1.00 0.00 C ATOM 0 H ILE A 23 -4.808 -2.510 -5.147 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.821 -0.886 -3.910 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.077 -3.031 -3.975 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -1.131 -1.940 -6.645 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.342 -1.751 -5.092 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.517 -4.653 -5.780 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.019 -3.929 -5.155 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.348 -3.382 -6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.785 -3.448 -6.448 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.073 -4.185 -4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.729 -4.376 -6.570 1.00 0.00 H new ATOM 336 N GLN A 24 -1.937 0.623 -5.669 1.00 0.00 N ATOM 337 CA GLN A 24 -1.514 1.612 -6.651 1.00 0.00 C ATOM 338 C GLN A 24 -0.013 1.522 -6.911 1.00 0.00 C ATOM 339 O GLN A 24 0.523 2.220 -7.773 1.00 0.00 O ATOM 340 CB GLN A 24 -1.900 3.012 -6.164 1.00 0.00 C ATOM 341 CG GLN A 24 -0.772 3.774 -5.485 1.00 0.00 C ATOM 342 CD GLN A 24 -0.286 3.096 -4.217 1.00 0.00 C ATOM 343 OE1 GLN A 24 0.916 3.001 -3.973 1.00 0.00 O ATOM 344 NE2 GLN A 24 -1.222 2.622 -3.402 1.00 0.00 N ATOM 0 H GLN A 24 -1.588 0.791 -4.725 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.021 1.410 -7.595 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.255 3.594 -7.014 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.734 2.924 -5.467 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.062 3.876 -6.180 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -1.112 4.781 -5.246 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.208 2.723 -3.644 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.955 2.157 -2.534 1.00 0.00 H new ATOM 353 N GLY A 25 0.657 0.657 -6.159 1.00 0.00 N ATOM 354 CA GLY A 25 2.088 0.486 -6.317 1.00 0.00 C ATOM 355 C GLY A 25 2.713 -0.229 -5.138 1.00 0.00 C ATOM 356 O GLY A 25 2.179 -1.227 -4.654 1.00 0.00 O ATOM 0 H GLY A 25 0.233 0.070 -5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.286 -0.078 -7.228 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.558 1.462 -6.438 1.00 0.00 H new ATOM 360 N THR A 26 3.846 0.283 -4.672 1.00 0.00 N ATOM 361 CA THR A 26 4.541 -0.314 -3.540 1.00 0.00 C ATOM 362 C THR A 26 4.827 0.720 -2.459 1.00 0.00 C ATOM 363 O THR A 26 5.009 1.903 -2.745 1.00 0.00 O ATOM 364 CB THR A 26 5.866 -0.970 -3.974 1.00 0.00 C ATOM 365 OG1 THR A 26 6.469 -0.208 -5.027 1.00 0.00 O ATOM 366 CG2 THR A 26 5.636 -2.398 -4.444 1.00 0.00 C ATOM 0 H THR A 26 4.302 1.109 -5.060 1.00 0.00 H new ATOM 0 HA THR A 26 3.881 -1.081 -3.136 1.00 0.00 H new ATOM 0 HB THR A 26 6.533 -0.991 -3.112 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.311 -0.631 -5.296 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.586 -2.839 -4.745 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.205 -2.983 -3.632 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.952 -2.396 -5.293 1.00 0.00 H new ATOM 374 N CYS A 27 4.858 0.257 -1.217 1.00 0.00 N ATOM 375 CA CYS A 27 5.113 1.125 -0.074 1.00 0.00 C ATOM 376 C CYS A 27 6.611 1.244 0.200 1.00 0.00 C ATOM 377 O CYS A 27 7.253 2.209 -0.216 1.00 0.00 O ATOM 378 CB CYS A 27 4.394 0.577 1.161 1.00 0.00 C ATOM 379 SG CYS A 27 4.025 1.823 2.438 1.00 0.00 S ATOM 0 H CYS A 27 4.709 -0.722 -0.974 1.00 0.00 H new ATOM 0 HA CYS A 27 4.731 2.120 -0.304 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.460 0.112 0.845 1.00 0.00 H new ATOM 0 HB3 CYS A 27 5.007 -0.208 1.604 1.00 0.00 H new ATOM 384 N TYR A 28 7.158 0.259 0.908 1.00 0.00 N ATOM 385 CA TYR A 28 8.579 0.245 1.247 1.00 0.00 C ATOM 386 C TYR A 28 9.458 0.215 -0.004 1.00 0.00 C ATOM 387 O TYR A 28 8.986 0.464 -1.114 1.00 0.00 O ATOM 388 CB TYR A 28 8.891 -0.956 2.143 1.00 0.00 C ATOM 389 CG TYR A 28 8.015 -1.030 3.373 1.00 0.00 C ATOM 390 CD1 TYR A 28 8.199 -0.150 4.434 1.00 0.00 C ATOM 391 CD2 TYR A 28 7.003 -1.976 3.474 1.00 0.00 C ATOM 392 CE1 TYR A 28 7.398 -0.211 5.558 1.00 0.00 C ATOM 393 CE2 TYR A 28 6.198 -2.043 4.596 1.00 0.00 C ATOM 394 CZ TYR A 28 6.400 -1.159 5.634 1.00 0.00 C ATOM 395 OH TYR A 28 5.599 -1.221 6.751 1.00 0.00 O ATOM 0 H TYR A 28 6.636 -0.544 1.260 1.00 0.00 H new ATOM 0 HA TYR A 28 8.804 1.166 1.785 1.00 0.00 H new ATOM 0 HB2 TYR A 28 8.771 -1.872 1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.935 -0.908 2.452 1.00 0.00 H new ATOM 0 HD1 TYR A 28 8.981 0.593 4.378 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.842 -2.671 2.663 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.553 0.480 6.373 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.415 -2.784 4.659 1.00 0.00 H new ATOM 0 HH TYR A 28 4.945 -1.943 6.645 1.00 0.00 H new ATOM 405 N ARG A 29 10.741 -0.090 0.189 1.00 0.00 N ATOM 406 CA ARG A 29 11.698 -0.152 -0.914 1.00 0.00 C ATOM 407 C ARG A 29 11.161 -0.992 -2.068 1.00 0.00 C ATOM 408 O ARG A 29 11.299 -0.622 -3.234 1.00 0.00 O ATOM 409 CB ARG A 29 13.029 -0.730 -0.426 1.00 0.00 C ATOM 410 CG ARG A 29 14.242 0.056 -0.895 1.00 0.00 C ATOM 411 CD ARG A 29 15.198 0.339 0.253 1.00 0.00 C ATOM 412 NE ARG A 29 16.111 -0.775 0.494 1.00 0.00 N ATOM 413 CZ ARG A 29 17.073 -0.753 1.411 1.00 0.00 C ATOM 414 NH1 ARG A 29 17.243 0.320 2.172 1.00 0.00 N ATOM 415 NH2 ARG A 29 17.864 -1.805 1.570 1.00 0.00 N ATOM 0 H ARG A 29 11.142 -0.299 1.103 1.00 0.00 H new ATOM 0 HA ARG A 29 11.856 0.864 -1.277 1.00 0.00 H new ATOM 0 HB2 ARG A 29 13.025 -0.760 0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 29 13.117 -1.760 -0.773 1.00 0.00 H new ATOM 0 HG2 ARG A 29 14.761 -0.503 -1.673 1.00 0.00 H new ATOM 0 HG3 ARG A 29 13.918 0.996 -1.341 1.00 0.00 H new ATOM 0 HD2 ARG A 29 15.774 1.238 0.032 1.00 0.00 H new ATOM 0 HD3 ARG A 29 14.626 0.541 1.159 1.00 0.00 H new ATOM 0 HE ARG A 29 16.005 -1.616 -0.073 1.00 0.00 H new ATOM 0 HH11 ARG A 29 16.635 1.130 2.054 1.00 0.00 H new ATOM 0 HH12 ARG A 29 17.982 0.335 2.875 1.00 0.00 H new ATOM 0 HH21 ARG A 29 17.735 -2.633 0.988 1.00 0.00 H new ATOM 0 HH22 ARG A 29 18.602 -1.787 2.274 1.00 0.00 H new ATOM 429 N GLY A 30 10.547 -2.120 -1.734 1.00 0.00 N ATOM 430 CA GLY A 30 9.996 -2.994 -2.753 1.00 0.00 C ATOM 431 C GLY A 30 9.692 -4.382 -2.226 1.00 0.00 C ATOM 432 O GLY A 30 10.094 -5.382 -2.822 1.00 0.00 O ATOM 0 H GLY A 30 10.420 -2.446 -0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 30 9.082 -2.552 -3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 30 10.700 -3.070 -3.581 1.00 0.00 H new ATOM 436 N LYS A 31 8.979 -4.442 -1.107 1.00 0.00 N ATOM 437 CA LYS A 31 8.618 -5.716 -0.497 1.00 0.00 C ATOM 438 C LYS A 31 7.109 -5.817 -0.305 1.00 0.00 C ATOM 439 O LYS A 31 6.521 -6.883 -0.486 1.00 0.00 O ATOM 440 CB LYS A 31 9.328 -5.881 0.847 1.00 0.00 C ATOM 441 CG LYS A 31 10.843 -5.808 0.748 1.00 0.00 C ATOM 442 CD LYS A 31 11.501 -7.047 1.332 1.00 0.00 C ATOM 443 CE LYS A 31 12.517 -6.686 2.403 1.00 0.00 C ATOM 444 NZ LYS A 31 13.886 -7.153 2.049 1.00 0.00 N ATOM 0 H LYS A 31 8.639 -3.623 -0.604 1.00 0.00 H new ATOM 0 HA LYS A 31 8.935 -6.515 -1.167 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.979 -5.107 1.530 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.046 -6.840 1.282 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.135 -5.698 -0.296 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.201 -4.923 1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.738 -7.699 1.758 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.992 -7.608 0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.527 -5.605 2.544 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.217 -7.129 3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.550 -6.887 2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.882 -8.187 1.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 14.183 -6.711 1.156 1.00 0.00 H new ATOM 458 N ALA A 32 6.488 -4.700 0.059 1.00 0.00 N ATOM 459 CA ALA A 32 5.048 -4.660 0.274 1.00 0.00 C ATOM 460 C ALA A 32 4.391 -3.635 -0.640 1.00 0.00 C ATOM 461 O ALA A 32 4.977 -2.597 -0.944 1.00 0.00 O ATOM 462 CB ALA A 32 4.739 -4.349 1.730 1.00 0.00 C ATOM 0 H ALA A 32 6.961 -3.809 0.211 1.00 0.00 H new ATOM 0 HA ALA A 32 4.640 -5.641 0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.659 -4.322 1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.172 -5.121 2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 32 5.164 -3.381 1.993 1.00 0.00 H new ATOM 468 N LYS A 33 3.174 -3.936 -1.076 1.00 0.00 N ATOM 469 CA LYS A 33 2.433 -3.045 -1.957 1.00 0.00 C ATOM 470 C LYS A 33 1.498 -2.146 -1.157 1.00 0.00 C ATOM 471 O LYS A 33 0.950 -2.558 -0.133 1.00 0.00 O ATOM 472 CB LYS A 33 1.632 -3.858 -2.976 1.00 0.00 C ATOM 473 CG LYS A 33 0.947 -5.076 -2.377 1.00 0.00 C ATOM 474 CD LYS A 33 -0.553 -5.043 -2.612 1.00 0.00 C ATOM 475 CE LYS A 33 -1.202 -3.866 -1.901 1.00 0.00 C ATOM 476 NZ LYS A 33 -1.898 -4.288 -0.654 1.00 0.00 N ATOM 0 H LYS A 33 2.679 -4.794 -0.832 1.00 0.00 H new ATOM 0 HA LYS A 33 3.148 -2.415 -2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.879 -3.215 -3.431 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.299 -4.182 -3.775 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.365 -5.982 -2.815 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.148 -5.118 -1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.754 -4.979 -3.681 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.998 -5.973 -2.259 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.442 -3.123 -1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.915 -3.385 -2.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.874 -3.930 -0.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.910 -5.326 -0.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -1.396 -3.902 0.171 1.00 0.00 H new ATOM 490 N CYS A 34 1.322 -0.917 -1.628 1.00 0.00 N ATOM 491 CA CYS A 34 0.451 0.044 -0.954 1.00 0.00 C ATOM 492 C CYS A 34 -0.978 -0.037 -1.487 1.00 0.00 C ATOM 493 O CYS A 34 -1.195 -0.244 -2.681 1.00 0.00 O ATOM 494 CB CYS A 34 0.990 1.466 -1.127 1.00 0.00 C ATOM 495 SG CYS A 34 1.300 2.337 0.443 1.00 0.00 S ATOM 0 H CYS A 34 1.769 -0.561 -2.473 1.00 0.00 H new ATOM 0 HA CYS A 34 0.437 -0.207 0.107 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.918 1.425 -1.697 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.279 2.044 -1.717 1.00 0.00 H new ATOM 500 N CYS A 35 -1.947 0.131 -0.589 1.00 0.00 N ATOM 501 CA CYS A 35 -3.360 0.080 -0.960 1.00 0.00 C ATOM 502 C CYS A 35 -4.152 1.169 -0.244 1.00 0.00 C ATOM 503 O CYS A 35 -3.899 1.466 0.922 1.00 0.00 O ATOM 504 CB CYS A 35 -3.955 -1.287 -0.618 1.00 0.00 C ATOM 505 SG CYS A 35 -4.041 -2.430 -2.030 1.00 0.00 S ATOM 0 H CYS A 35 -1.779 0.304 0.402 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.426 0.244 -2.035 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.358 -1.745 0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -4.959 -1.145 -0.217 1.00 0.00 H new ATOM 510 N LYS A 36 -5.114 1.756 -0.948 1.00 0.00 N ATOM 511 CA LYS A 36 -5.946 2.810 -0.375 1.00 0.00 C ATOM 512 C LYS A 36 -7.207 3.023 -1.206 1.00 0.00 C ATOM 513 O LYS A 36 -8.165 3.629 -0.681 1.00 0.00 O ATOM 514 CB LYS A 36 -5.161 4.122 -0.274 1.00 0.00 C ATOM 515 CG LYS A 36 -3.954 4.187 -1.196 1.00 0.00 C ATOM 516 CD LYS A 36 -4.324 4.736 -2.562 1.00 0.00 C ATOM 517 CE LYS A 36 -4.514 3.623 -3.580 1.00 0.00 C ATOM 518 NZ LYS A 36 -4.671 4.155 -4.963 1.00 0.00 N ATOM 519 OXT LYS A 36 -7.226 2.583 -2.374 1.00 0.00 O ATOM 0 H LYS A 36 -5.337 1.521 -1.915 1.00 0.00 H new ATOM 0 HA LYS A 36 -6.239 2.495 0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -5.828 4.952 -0.505 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.828 4.257 0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -3.185 4.816 -0.746 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.526 3.191 -1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -5.242 5.319 -2.484 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.543 5.415 -2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -3.658 2.949 -3.545 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.393 3.035 -3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.815 3.365 -5.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.493 4.791 -4.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.815 4.680 -5.232 1.00 0.00 H new TER 533 LYS A 36