USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=15 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 28 HIS HE2 : A 28 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 19 CYS SG : rot 100:sc= -0.214 USER MOD Set 1.2: A 24 HIS : no HE2:sc= 0.331 K(o=0.12,f=-2.3!) USER MOD Set 2.1: A 5 SER OG : rot 180:sc= 0.796 USER MOD Set 2.2: A 9 LYS NZ :NH3+ -163:sc= 0.92 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.0275 (180deg=0) USER MOD Single : A 2 SER OG : rot -130:sc= 0.0875 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0133 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -176:sc= 1.29 (180deg=1.2) USER MOD Single : A 34 LYS NZ :NH3+ -175:sc= 0.906 (180deg=0.891) USER MOD Single : A 35 LYS NZ :NH3+ -175:sc= 1.62 (180deg=1.54) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.778 0.841 -7.132 1.00 0.00 N ATOM 2 CA GLY A 1 11.083 1.942 -6.191 1.00 0.00 C ATOM 3 C GLY A 1 10.229 3.170 -6.471 1.00 0.00 C ATOM 4 O GLY A 1 9.082 3.047 -6.905 1.00 0.00 O ATOM 0 H1 GLY A 1 10.630 -0.040 -6.599 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.917 1.071 -7.668 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.573 0.717 -7.791 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.913 1.605 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.138 2.206 -6.268 1.00 0.00 H new ATOM 10 N SER A 2 10.776 4.364 -6.223 1.00 0.00 N ATOM 11 CA SER A 2 10.116 5.664 -6.457 1.00 0.00 C ATOM 12 C SER A 2 11.118 6.761 -6.855 1.00 0.00 C ATOM 13 O SER A 2 12.334 6.543 -6.859 1.00 0.00 O ATOM 14 CB SER A 2 9.340 6.090 -5.199 1.00 0.00 C ATOM 15 OG SER A 2 10.219 6.517 -4.169 1.00 0.00 O ATOM 0 H SER A 2 11.717 4.462 -5.843 1.00 0.00 H new ATOM 0 HA SER A 2 9.426 5.536 -7.291 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.652 6.897 -5.450 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.736 5.256 -4.842 1.00 0.00 H new ATOM 0 HG SER A 2 9.989 6.061 -3.333 1.00 0.00 H new ATOM 21 N SER A 3 10.618 7.968 -7.140 1.00 0.00 N ATOM 22 CA SER A 3 11.429 9.181 -7.369 1.00 0.00 C ATOM 23 C SER A 3 12.090 9.746 -6.093 1.00 0.00 C ATOM 24 O SER A 3 12.803 10.749 -6.167 1.00 0.00 O ATOM 25 CB SER A 3 10.568 10.270 -8.023 1.00 0.00 C ATOM 26 OG SER A 3 9.943 9.784 -9.205 1.00 0.00 O ATOM 0 H SER A 3 9.616 8.139 -7.221 1.00 0.00 H new ATOM 0 HA SER A 3 12.241 8.878 -8.030 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.808 10.610 -7.319 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.188 11.133 -8.264 1.00 0.00 H new ATOM 0 HG SER A 3 9.398 10.495 -9.603 1.00 0.00 H new ATOM 32 N GLY A 4 11.869 9.125 -4.926 1.00 0.00 N ATOM 33 CA GLY A 4 12.332 9.599 -3.616 1.00 0.00 C ATOM 34 C GLY A 4 11.368 10.589 -2.949 1.00 0.00 C ATOM 35 O GLY A 4 10.433 11.101 -3.568 1.00 0.00 O ATOM 0 H GLY A 4 11.346 8.251 -4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.474 8.742 -2.957 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.305 10.075 -3.734 1.00 0.00 H new ATOM 39 N SER A 5 11.583 10.848 -1.656 1.00 0.00 N ATOM 40 CA SER A 5 10.668 11.614 -0.783 1.00 0.00 C ATOM 41 C SER A 5 10.601 13.125 -1.065 1.00 0.00 C ATOM 42 O SER A 5 9.827 13.839 -0.424 1.00 0.00 O ATOM 43 CB SER A 5 11.004 11.341 0.685 1.00 0.00 C ATOM 44 OG SER A 5 10.895 9.946 0.945 1.00 0.00 O ATOM 0 H SER A 5 12.418 10.525 -1.168 1.00 0.00 H new ATOM 0 HA SER A 5 9.666 11.254 -1.017 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.014 11.686 0.908 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.327 11.897 1.334 1.00 0.00 H new ATOM 0 HG SER A 5 11.112 9.770 1.884 1.00 0.00 H new ATOM 50 N SER A 6 11.376 13.627 -2.032 1.00 0.00 N ATOM 51 CA SER A 6 11.242 14.986 -2.581 1.00 0.00 C ATOM 52 C SER A 6 9.996 15.127 -3.475 1.00 0.00 C ATOM 53 O SER A 6 9.450 16.227 -3.605 1.00 0.00 O ATOM 54 CB SER A 6 12.508 15.357 -3.362 1.00 0.00 C ATOM 55 OG SER A 6 12.798 14.376 -4.350 1.00 0.00 O ATOM 0 H SER A 6 12.129 13.092 -2.465 1.00 0.00 H new ATOM 0 HA SER A 6 11.116 15.674 -1.745 1.00 0.00 H new ATOM 0 HB2 SER A 6 12.376 16.329 -3.836 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.350 15.449 -2.676 1.00 0.00 H new ATOM 0 HG SER A 6 13.608 14.633 -4.838 1.00 0.00 H new ATOM 61 N GLY A 7 9.515 14.020 -4.059 1.00 0.00 N ATOM 62 CA GLY A 7 8.229 13.912 -4.757 1.00 0.00 C ATOM 63 C GLY A 7 7.102 13.405 -3.843 1.00 0.00 C ATOM 64 O GLY A 7 7.350 12.794 -2.800 1.00 0.00 O ATOM 0 H GLY A 7 10.033 13.141 -4.057 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.955 14.887 -5.159 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.336 13.236 -5.605 1.00 0.00 H new ATOM 68 N GLU A 8 5.849 13.645 -4.234 1.00 0.00 N ATOM 69 CA GLU A 8 4.664 13.194 -3.485 1.00 0.00 C ATOM 70 C GLU A 8 4.328 11.720 -3.780 1.00 0.00 C ATOM 71 O GLU A 8 4.180 11.324 -4.941 1.00 0.00 O ATOM 72 CB GLU A 8 3.457 14.103 -3.773 1.00 0.00 C ATOM 73 CG GLU A 8 3.665 15.534 -3.254 1.00 0.00 C ATOM 74 CD GLU A 8 2.407 16.394 -3.484 1.00 0.00 C ATOM 75 OE1 GLU A 8 2.278 17.018 -4.565 1.00 0.00 O ATOM 76 OE2 GLU A 8 1.535 16.457 -2.580 1.00 0.00 O ATOM 0 H GLU A 8 5.621 14.161 -5.084 1.00 0.00 H new ATOM 0 HA GLU A 8 4.901 13.265 -2.423 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.275 14.132 -4.847 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.566 13.677 -3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.902 15.508 -2.190 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.517 15.988 -3.760 1.00 0.00 H new ATOM 83 N LYS A 9 4.199 10.909 -2.722 1.00 0.00 N ATOM 84 CA LYS A 9 3.879 9.468 -2.761 1.00 0.00 C ATOM 85 C LYS A 9 3.213 8.995 -1.462 1.00 0.00 C ATOM 86 O LYS A 9 3.364 9.624 -0.412 1.00 0.00 O ATOM 87 CB LYS A 9 5.149 8.643 -3.072 1.00 0.00 C ATOM 88 CG LYS A 9 6.328 8.901 -2.116 1.00 0.00 C ATOM 89 CD LYS A 9 7.539 8.027 -2.479 1.00 0.00 C ATOM 90 CE LYS A 9 8.832 8.502 -1.801 1.00 0.00 C ATOM 91 NZ LYS A 9 8.804 8.369 -0.320 1.00 0.00 N ATOM 0 H LYS A 9 4.320 11.251 -1.769 1.00 0.00 H new ATOM 0 HA LYS A 9 3.158 9.308 -3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.896 7.583 -3.039 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.469 8.862 -4.091 1.00 0.00 H new ATOM 0 HG2 LYS A 9 6.610 9.953 -2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.021 8.694 -1.091 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.338 6.996 -2.189 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.676 8.033 -3.560 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.672 7.929 -2.194 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.008 9.546 -2.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 9.556 8.955 0.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 7.881 8.685 0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.955 7.374 -0.058 1.00 0.00 H new ATOM 105 N PHE A 10 2.509 7.869 -1.536 1.00 0.00 N ATOM 106 CA PHE A 10 1.874 7.179 -0.409 1.00 0.00 C ATOM 107 C PHE A 10 2.739 5.995 0.053 1.00 0.00 C ATOM 108 O PHE A 10 3.470 5.412 -0.752 1.00 0.00 O ATOM 109 CB PHE A 10 0.456 6.746 -0.815 1.00 0.00 C ATOM 110 CG PHE A 10 -0.403 7.874 -1.360 1.00 0.00 C ATOM 111 CD1 PHE A 10 -1.044 8.766 -0.479 1.00 0.00 C ATOM 112 CD2 PHE A 10 -0.526 8.058 -2.750 1.00 0.00 C ATOM 113 CE1 PHE A 10 -1.803 9.836 -0.988 1.00 0.00 C ATOM 114 CE2 PHE A 10 -1.292 9.123 -3.259 1.00 0.00 C ATOM 115 CZ PHE A 10 -1.929 10.013 -2.377 1.00 0.00 C ATOM 0 H PHE A 10 2.357 7.388 -2.422 1.00 0.00 H new ATOM 0 HA PHE A 10 1.789 7.855 0.442 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.529 5.962 -1.569 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.042 6.310 0.051 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.953 8.629 0.588 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.031 7.379 -3.428 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.289 10.522 -0.311 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.390 9.256 -4.326 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.515 10.832 -2.766 1.00 0.00 H new ATOM 125 N ALA A 11 2.674 5.636 1.341 1.00 0.00 N ATOM 126 CA ALA A 11 3.537 4.624 1.961 1.00 0.00 C ATOM 127 C ALA A 11 2.788 3.702 2.943 1.00 0.00 C ATOM 128 O ALA A 11 1.877 4.139 3.653 1.00 0.00 O ATOM 129 CB ALA A 11 4.698 5.342 2.661 1.00 0.00 C ATOM 0 H ALA A 11 2.007 6.049 1.993 1.00 0.00 H new ATOM 0 HA ALA A 11 3.909 3.968 1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.352 4.606 3.129 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.265 5.917 1.929 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.304 6.014 3.424 1.00 0.00 H new ATOM 135 N CYS A 12 3.213 2.437 3.008 1.00 0.00 N ATOM 136 CA CYS A 12 2.724 1.434 3.954 1.00 0.00 C ATOM 137 C CYS A 12 3.207 1.713 5.393 1.00 0.00 C ATOM 138 O CYS A 12 4.298 2.244 5.625 1.00 0.00 O ATOM 139 CB CYS A 12 3.141 0.063 3.410 1.00 0.00 C ATOM 140 SG CYS A 12 2.533 -1.313 4.432 1.00 0.00 S ATOM 0 H CYS A 12 3.931 2.072 2.382 1.00 0.00 H new ATOM 0 HA CYS A 12 1.638 1.467 4.036 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.763 -0.050 2.394 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.228 0.015 3.353 1.00 0.00 H new ATOM 145 N ASP A 13 2.369 1.353 6.366 1.00 0.00 N ATOM 146 CA ASP A 13 2.652 1.462 7.803 1.00 0.00 C ATOM 147 C ASP A 13 3.305 0.186 8.379 1.00 0.00 C ATOM 148 O ASP A 13 3.792 0.191 9.511 1.00 0.00 O ATOM 149 CB ASP A 13 1.345 1.813 8.531 1.00 0.00 C ATOM 150 CG ASP A 13 1.575 2.236 9.994 1.00 0.00 C ATOM 151 OD1 ASP A 13 2.286 3.245 10.229 1.00 0.00 O ATOM 152 OD2 ASP A 13 1.003 1.602 10.914 1.00 0.00 O ATOM 0 H ASP A 13 1.446 0.965 6.173 1.00 0.00 H new ATOM 0 HA ASP A 13 3.384 2.255 7.959 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.843 2.620 7.998 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.678 0.952 8.507 1.00 0.00 H new ATOM 157 N TYR A 14 3.330 -0.904 7.599 1.00 0.00 N ATOM 158 CA TYR A 14 3.713 -2.251 8.047 1.00 0.00 C ATOM 159 C TYR A 14 4.969 -2.808 7.344 1.00 0.00 C ATOM 160 O TYR A 14 5.616 -3.710 7.882 1.00 0.00 O ATOM 161 CB TYR A 14 2.516 -3.195 7.844 1.00 0.00 C ATOM 162 CG TYR A 14 1.192 -2.694 8.398 1.00 0.00 C ATOM 163 CD1 TYR A 14 0.909 -2.815 9.773 1.00 0.00 C ATOM 164 CD2 TYR A 14 0.247 -2.097 7.537 1.00 0.00 C ATOM 165 CE1 TYR A 14 -0.313 -2.339 10.289 1.00 0.00 C ATOM 166 CE2 TYR A 14 -0.975 -1.618 8.048 1.00 0.00 C ATOM 167 CZ TYR A 14 -1.259 -1.740 9.426 1.00 0.00 C ATOM 168 OH TYR A 14 -2.445 -1.277 9.912 1.00 0.00 O ATOM 0 H TYR A 14 3.077 -0.872 6.611 1.00 0.00 H new ATOM 0 HA TYR A 14 3.979 -2.182 9.102 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.397 -3.380 6.776 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.747 -4.153 8.310 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.630 -3.274 10.433 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.461 -2.007 6.482 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.527 -2.432 11.344 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.694 -1.158 7.387 1.00 0.00 H new ATOM 0 HH TYR A 14 -2.972 -0.896 9.179 1.00 0.00 H new ATOM 178 N CYS A 15 5.321 -2.281 6.163 1.00 0.00 N ATOM 179 CA CYS A 15 6.517 -2.638 5.385 1.00 0.00 C ATOM 180 C CYS A 15 7.025 -1.459 4.521 1.00 0.00 C ATOM 181 O CYS A 15 6.476 -0.354 4.558 1.00 0.00 O ATOM 182 CB CYS A 15 6.219 -3.904 4.559 1.00 0.00 C ATOM 183 SG CYS A 15 5.095 -3.565 3.182 1.00 0.00 S ATOM 0 H CYS A 15 4.758 -1.565 5.704 1.00 0.00 H new ATOM 0 HA CYS A 15 7.337 -2.859 6.068 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.153 -4.313 4.173 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.781 -4.664 5.206 1.00 0.00 H new ATOM 188 N SER A 16 8.087 -1.686 3.739 1.00 0.00 N ATOM 189 CA SER A 16 8.771 -0.666 2.920 1.00 0.00 C ATOM 190 C SER A 16 8.142 -0.414 1.537 1.00 0.00 C ATOM 191 O SER A 16 8.818 0.007 0.594 1.00 0.00 O ATOM 192 CB SER A 16 10.274 -0.972 2.817 1.00 0.00 C ATOM 193 OG SER A 16 10.851 -1.138 4.106 1.00 0.00 O ATOM 0 H SER A 16 8.510 -2.610 3.653 1.00 0.00 H new ATOM 0 HA SER A 16 8.634 0.276 3.452 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.425 -1.877 2.228 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.778 -0.162 2.291 1.00 0.00 H new ATOM 0 HG SER A 16 11.807 -1.333 4.014 1.00 0.00 H new ATOM 199 N PHE A 17 6.839 -0.668 1.403 1.00 0.00 N ATOM 200 CA PHE A 17 6.056 -0.415 0.185 1.00 0.00 C ATOM 201 C PHE A 17 5.701 1.073 0.027 1.00 0.00 C ATOM 202 O PHE A 17 5.292 1.734 0.986 1.00 0.00 O ATOM 203 CB PHE A 17 4.796 -1.294 0.189 1.00 0.00 C ATOM 204 CG PHE A 17 3.812 -1.019 -0.938 1.00 0.00 C ATOM 205 CD1 PHE A 17 3.934 -1.694 -2.167 1.00 0.00 C ATOM 206 CD2 PHE A 17 2.775 -0.079 -0.761 1.00 0.00 C ATOM 207 CE1 PHE A 17 3.025 -1.432 -3.211 1.00 0.00 C ATOM 208 CE2 PHE A 17 1.872 0.187 -1.804 1.00 0.00 C ATOM 209 CZ PHE A 17 1.994 -0.493 -3.028 1.00 0.00 C ATOM 0 H PHE A 17 6.281 -1.067 2.158 1.00 0.00 H new ATOM 0 HA PHE A 17 6.669 -0.679 -0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.101 -2.339 0.137 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.281 -1.159 1.140 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.726 -2.414 -2.310 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.675 0.439 0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.120 -1.953 -4.152 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.085 0.913 -1.665 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.296 -0.294 -3.828 1.00 0.00 H new ATOM 219 N THR A 18 5.797 1.580 -1.207 1.00 0.00 N ATOM 220 CA THR A 18 5.328 2.917 -1.611 1.00 0.00 C ATOM 221 C THR A 18 4.631 2.882 -2.976 1.00 0.00 C ATOM 222 O THR A 18 4.914 2.012 -3.806 1.00 0.00 O ATOM 223 CB THR A 18 6.459 3.964 -1.648 1.00 0.00 C ATOM 224 OG1 THR A 18 7.488 3.594 -2.540 1.00 0.00 O ATOM 225 CG2 THR A 18 7.105 4.207 -0.285 1.00 0.00 C ATOM 0 H THR A 18 6.215 1.059 -1.978 1.00 0.00 H new ATOM 0 HA THR A 18 4.613 3.218 -0.845 1.00 0.00 H new ATOM 0 HB THR A 18 5.969 4.879 -1.980 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.186 4.282 -2.538 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.892 4.954 -0.384 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.351 4.564 0.416 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.533 3.276 0.086 1.00 0.00 H new ATOM 233 N CYS A 19 3.715 3.824 -3.219 1.00 0.00 N ATOM 234 CA CYS A 19 2.978 3.950 -4.482 1.00 0.00 C ATOM 235 C CYS A 19 2.579 5.407 -4.785 1.00 0.00 C ATOM 236 O CYS A 19 2.417 6.221 -3.875 1.00 0.00 O ATOM 237 CB CYS A 19 1.740 3.042 -4.412 1.00 0.00 C ATOM 238 SG CYS A 19 1.033 2.810 -6.069 1.00 0.00 S ATOM 0 H CYS A 19 3.460 4.533 -2.532 1.00 0.00 H new ATOM 0 HA CYS A 19 3.627 3.640 -5.301 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.013 2.076 -3.987 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.995 3.482 -3.750 1.00 0.00 H new ATOM 0 HG CYS A 19 1.415 1.663 -6.547 1.00 0.00 H new ATOM 244 N LEU A 20 2.345 5.722 -6.063 1.00 0.00 N ATOM 245 CA LEU A 20 1.752 6.990 -6.517 1.00 0.00 C ATOM 246 C LEU A 20 0.216 7.063 -6.361 1.00 0.00 C ATOM 247 O LEU A 20 -0.379 8.104 -6.645 1.00 0.00 O ATOM 248 CB LEU A 20 2.271 7.353 -7.930 1.00 0.00 C ATOM 249 CG LEU A 20 1.886 6.511 -9.170 1.00 0.00 C ATOM 250 CD1 LEU A 20 2.391 5.067 -9.125 1.00 0.00 C ATOM 251 CD2 LEU A 20 0.389 6.477 -9.474 1.00 0.00 C ATOM 0 H LEU A 20 2.567 5.089 -6.831 1.00 0.00 H new ATOM 0 HA LEU A 20 2.096 7.771 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.955 8.377 -8.131 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.360 7.360 -7.876 1.00 0.00 H new ATOM 0 HG LEU A 20 2.395 7.046 -9.972 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.080 4.544 -10.029 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.479 5.064 -9.060 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.974 4.563 -8.253 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.211 5.865 -10.358 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.145 6.052 -8.624 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.032 7.490 -9.657 1.00 0.00 H new ATOM 263 N SER A 21 -0.428 5.985 -5.891 1.00 0.00 N ATOM 264 CA SER A 21 -1.876 5.893 -5.653 1.00 0.00 C ATOM 265 C SER A 21 -2.207 5.381 -4.247 1.00 0.00 C ATOM 266 O SER A 21 -1.702 4.343 -3.808 1.00 0.00 O ATOM 267 CB SER A 21 -2.526 4.985 -6.705 1.00 0.00 C ATOM 268 OG SER A 21 -3.903 4.801 -6.413 1.00 0.00 O ATOM 0 H SER A 21 0.063 5.122 -5.658 1.00 0.00 H new ATOM 0 HA SER A 21 -2.279 6.902 -5.735 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.413 5.426 -7.696 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.019 4.020 -6.726 1.00 0.00 H new ATOM 0 HG SER A 21 -4.307 4.221 -7.092 1.00 0.00 H new ATOM 274 N LYS A 22 -3.130 6.074 -3.566 1.00 0.00 N ATOM 275 CA LYS A 22 -3.720 5.631 -2.290 1.00 0.00 C ATOM 276 C LYS A 22 -4.672 4.438 -2.453 1.00 0.00 C ATOM 277 O LYS A 22 -4.842 3.667 -1.511 1.00 0.00 O ATOM 278 CB LYS A 22 -4.390 6.819 -1.572 1.00 0.00 C ATOM 279 CG LYS A 22 -5.586 7.427 -2.333 1.00 0.00 C ATOM 280 CD LYS A 22 -6.298 8.536 -1.544 1.00 0.00 C ATOM 281 CE LYS A 22 -5.403 9.763 -1.314 1.00 0.00 C ATOM 282 NZ LYS A 22 -6.136 10.847 -0.609 1.00 0.00 N ATOM 0 H LYS A 22 -3.494 6.971 -3.888 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.907 5.266 -1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.728 6.491 -0.589 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.644 7.597 -1.409 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.237 7.831 -3.283 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.301 6.638 -2.565 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.196 8.841 -2.082 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.622 8.141 -0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.530 9.473 -0.730 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.037 10.133 -2.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -5.503 11.660 -0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.955 11.140 -1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.463 10.501 0.315 1.00 0.00 H new ATOM 296 N GLY A 23 -5.243 4.237 -3.645 1.00 0.00 N ATOM 297 CA GLY A 23 -6.086 3.079 -3.960 1.00 0.00 C ATOM 298 C GLY A 23 -5.287 1.773 -3.982 1.00 0.00 C ATOM 299 O GLY A 23 -5.700 0.780 -3.382 1.00 0.00 O ATOM 0 H GLY A 23 -5.131 4.882 -4.428 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.885 3.002 -3.223 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.560 3.230 -4.930 1.00 0.00 H new ATOM 303 N HIS A 24 -4.089 1.795 -4.575 1.00 0.00 N ATOM 304 CA HIS A 24 -3.169 0.652 -4.543 1.00 0.00 C ATOM 305 C HIS A 24 -2.671 0.371 -3.115 1.00 0.00 C ATOM 306 O HIS A 24 -2.572 -0.793 -2.723 1.00 0.00 O ATOM 307 CB HIS A 24 -2.006 0.910 -5.513 1.00 0.00 C ATOM 308 CG HIS A 24 -1.125 -0.290 -5.792 1.00 0.00 C ATOM 309 ND1 HIS A 24 -0.998 -1.433 -5.030 1.00 0.00 N ATOM 310 CD2 HIS A 24 -0.294 -0.441 -6.869 1.00 0.00 C ATOM 311 CE1 HIS A 24 -0.115 -2.249 -5.630 1.00 0.00 C ATOM 312 NE2 HIS A 24 0.344 -1.686 -6.763 1.00 0.00 N ATOM 0 H HIS A 24 -3.731 2.600 -5.088 1.00 0.00 H new ATOM 0 HA HIS A 24 -3.701 -0.243 -4.865 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -2.414 1.269 -6.458 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.386 1.710 -5.108 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -1.491 -1.626 -4.158 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -0.153 0.276 -7.665 1.00 0.00 H new ATOM 0 HE1 HIS A 24 0.183 -3.217 -5.257 1.00 0.00 H new ATOM 320 N LEU A 25 -2.423 1.408 -2.306 1.00 0.00 N ATOM 321 CA LEU A 25 -2.075 1.255 -0.888 1.00 0.00 C ATOM 322 C LEU A 25 -3.226 0.641 -0.067 1.00 0.00 C ATOM 323 O LEU A 25 -2.985 -0.225 0.773 1.00 0.00 O ATOM 324 CB LEU A 25 -1.622 2.618 -0.334 1.00 0.00 C ATOM 325 CG LEU A 25 -1.278 2.602 1.167 1.00 0.00 C ATOM 326 CD1 LEU A 25 -0.142 1.638 1.504 1.00 0.00 C ATOM 327 CD2 LEU A 25 -0.858 4.000 1.612 1.00 0.00 C ATOM 0 H LEU A 25 -2.458 2.379 -2.617 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.250 0.548 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.748 2.953 -0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.411 3.349 -0.507 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.175 2.269 1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.056 1.670 2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.427 0.626 1.217 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.756 1.930 0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.615 3.986 2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.017 4.315 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.676 4.699 1.436 1.00 0.00 H new ATOM 339 N LYS A 26 -4.482 1.020 -0.338 1.00 0.00 N ATOM 340 CA LYS A 26 -5.670 0.427 0.302 1.00 0.00 C ATOM 341 C LYS A 26 -5.777 -1.069 -0.012 1.00 0.00 C ATOM 342 O LYS A 26 -5.956 -1.870 0.903 1.00 0.00 O ATOM 343 CB LYS A 26 -6.910 1.244 -0.112 1.00 0.00 C ATOM 344 CG LYS A 26 -8.176 0.995 0.728 1.00 0.00 C ATOM 345 CD LYS A 26 -9.028 -0.201 0.274 1.00 0.00 C ATOM 346 CE LYS A 26 -10.361 -0.180 1.033 1.00 0.00 C ATOM 347 NZ LYS A 26 -11.281 -1.250 0.570 1.00 0.00 N ATOM 0 H LYS A 26 -4.707 1.752 -1.012 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.588 0.480 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.661 2.304 -0.057 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.137 1.024 -1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.881 0.840 1.766 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.794 1.893 0.703 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.205 -0.151 -0.800 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.500 -1.135 0.467 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.173 -0.300 2.100 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.838 0.791 0.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.194 -1.159 1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.428 -1.162 -0.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.866 -2.180 0.781 1.00 0.00 H new ATOM 361 N VAL A 27 -5.566 -1.464 -1.272 1.00 0.00 N ATOM 362 CA VAL A 27 -5.514 -2.882 -1.695 1.00 0.00 C ATOM 363 C VAL A 27 -4.320 -3.623 -1.073 1.00 0.00 C ATOM 364 O VAL A 27 -4.471 -4.763 -0.635 1.00 0.00 O ATOM 365 CB VAL A 27 -5.508 -2.988 -3.236 1.00 0.00 C ATOM 366 CG1 VAL A 27 -5.328 -4.427 -3.736 1.00 0.00 C ATOM 367 CG2 VAL A 27 -6.837 -2.480 -3.815 1.00 0.00 C ATOM 0 H VAL A 27 -5.424 -0.808 -2.040 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.414 -3.373 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.664 -2.383 -3.567 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.332 -4.437 -4.826 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.379 -4.822 -3.373 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.145 -5.046 -3.365 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.815 -2.562 -4.902 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.658 -3.080 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.982 -1.437 -3.533 1.00 0.00 H new ATOM 377 N HIS A 28 -3.155 -2.981 -0.954 1.00 0.00 N ATOM 378 CA HIS A 28 -1.973 -3.541 -0.288 1.00 0.00 C ATOM 379 C HIS A 28 -2.252 -3.849 1.197 1.00 0.00 C ATOM 380 O HIS A 28 -2.040 -4.974 1.653 1.00 0.00 O ATOM 381 CB HIS A 28 -0.794 -2.573 -0.486 1.00 0.00 C ATOM 382 CG HIS A 28 0.478 -2.982 0.209 1.00 0.00 C ATOM 383 ND1 HIS A 28 1.447 -3.815 -0.295 1.00 0.00 N ATOM 384 CD2 HIS A 28 0.910 -2.552 1.434 1.00 0.00 C ATOM 385 CE1 HIS A 28 2.435 -3.906 0.605 1.00 0.00 C ATOM 386 NE2 HIS A 28 2.151 -3.163 1.702 1.00 0.00 N ATOM 0 H HIS A 28 -3.003 -2.042 -1.323 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.713 -4.499 -0.738 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.595 -2.478 -1.553 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.087 -1.586 -0.127 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.419 -4.284 -1.200 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.390 -1.863 2.083 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.334 -4.491 0.474 1.00 0.00 H new ATOM 394 N ILE A 29 -2.812 -2.897 1.948 1.00 0.00 N ATOM 395 CA ILE A 29 -3.201 -3.103 3.354 1.00 0.00 C ATOM 396 C ILE A 29 -4.288 -4.190 3.472 1.00 0.00 C ATOM 397 O ILE A 29 -4.226 -5.033 4.367 1.00 0.00 O ATOM 398 CB ILE A 29 -3.613 -1.748 3.981 1.00 0.00 C ATOM 399 CG1 ILE A 29 -2.377 -0.817 4.072 1.00 0.00 C ATOM 400 CG2 ILE A 29 -4.236 -1.934 5.379 1.00 0.00 C ATOM 401 CD1 ILE A 29 -2.706 0.641 4.418 1.00 0.00 C ATOM 0 H ILE A 29 -3.011 -1.958 1.602 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.350 -3.476 3.924 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.368 -1.296 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.695 -1.211 4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.848 -0.841 3.119 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.512 -0.962 5.787 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.125 -2.560 5.301 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.512 -2.412 6.039 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.784 1.222 4.461 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.362 1.057 3.653 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.206 0.681 5.386 1.00 0.00 H new ATOM 413 N GLU A 30 -5.245 -4.233 2.541 1.00 0.00 N ATOM 414 CA GLU A 30 -6.364 -5.184 2.550 1.00 0.00 C ATOM 415 C GLU A 30 -5.983 -6.633 2.181 1.00 0.00 C ATOM 416 O GLU A 30 -6.596 -7.561 2.712 1.00 0.00 O ATOM 417 CB GLU A 30 -7.451 -4.645 1.601 1.00 0.00 C ATOM 418 CG GLU A 30 -8.745 -5.469 1.588 1.00 0.00 C ATOM 419 CD GLU A 30 -9.781 -4.827 0.650 1.00 0.00 C ATOM 420 OE1 GLU A 30 -10.421 -3.825 1.051 1.00 0.00 O ATOM 421 OE2 GLU A 30 -9.963 -5.312 -0.492 1.00 0.00 O ATOM 0 H GLU A 30 -5.266 -3.597 1.744 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.725 -5.254 3.576 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.690 -3.620 1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.047 -4.609 0.589 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.532 -6.487 1.262 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.151 -5.536 2.597 1.00 0.00 H new ATOM 428 N ARG A 31 -4.990 -6.858 1.299 1.00 0.00 N ATOM 429 CA ARG A 31 -4.722 -8.184 0.698 1.00 0.00 C ATOM 430 C ARG A 31 -3.291 -8.682 0.876 1.00 0.00 C ATOM 431 O ARG A 31 -3.088 -9.886 1.025 1.00 0.00 O ATOM 432 CB ARG A 31 -5.095 -8.164 -0.799 1.00 0.00 C ATOM 433 CG ARG A 31 -6.573 -7.812 -1.045 1.00 0.00 C ATOM 434 CD ARG A 31 -6.974 -7.976 -2.517 1.00 0.00 C ATOM 435 NE ARG A 31 -7.023 -9.394 -2.928 1.00 0.00 N ATOM 436 CZ ARG A 31 -7.268 -9.855 -4.143 1.00 0.00 C ATOM 437 NH1 ARG A 31 -7.500 -9.064 -5.153 1.00 0.00 N ATOM 438 NH2 ARG A 31 -7.287 -11.137 -4.369 1.00 0.00 N ATOM 0 H ARG A 31 -4.351 -6.129 0.982 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.348 -8.891 1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.464 -7.441 -1.316 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -4.882 -9.141 -1.234 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.204 -8.450 -0.426 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.756 -6.784 -0.733 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.950 -7.519 -2.679 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.263 -7.441 -3.147 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.850 -10.088 -2.201 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.496 -8.053 -5.020 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.685 -9.456 -6.076 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.112 -11.792 -3.607 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.477 -11.487 -5.308 1.00 0.00 H new ATOM 452 N VAL A 32 -2.308 -7.783 0.923 1.00 0.00 N ATOM 453 CA VAL A 32 -0.900 -8.139 1.184 1.00 0.00 C ATOM 454 C VAL A 32 -0.649 -8.270 2.691 1.00 0.00 C ATOM 455 O VAL A 32 0.032 -9.207 3.112 1.00 0.00 O ATOM 456 CB VAL A 32 0.068 -7.159 0.490 1.00 0.00 C ATOM 457 CG1 VAL A 32 1.531 -7.536 0.736 1.00 0.00 C ATOM 458 CG2 VAL A 32 -0.166 -7.144 -1.027 1.00 0.00 C ATOM 0 H VAL A 32 -2.458 -6.784 0.782 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.699 -9.116 0.744 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.130 -6.175 0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.181 -6.822 0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.736 -7.519 1.806 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.719 -8.536 0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.528 -6.446 -1.495 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.003 -8.143 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.190 -6.832 -1.234 1.00 0.00 H new ATOM 468 N HIS A 33 -1.285 -7.419 3.507 1.00 0.00 N ATOM 469 CA HIS A 33 -1.326 -7.543 4.979 1.00 0.00 C ATOM 470 C HIS A 33 -2.621 -8.189 5.528 1.00 0.00 C ATOM 471 O HIS A 33 -2.703 -8.458 6.730 1.00 0.00 O ATOM 472 CB HIS A 33 -1.007 -6.185 5.618 1.00 0.00 C ATOM 473 CG HIS A 33 0.378 -5.704 5.270 1.00 0.00 C ATOM 474 ND1 HIS A 33 1.563 -6.282 5.669 1.00 0.00 N ATOM 475 CD2 HIS A 33 0.697 -4.668 4.438 1.00 0.00 C ATOM 476 CE1 HIS A 33 2.575 -5.619 5.093 1.00 0.00 C ATOM 477 NE2 HIS A 33 2.102 -4.603 4.332 1.00 0.00 N ATOM 0 H HIS A 33 -1.797 -6.608 3.160 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.552 -8.254 5.269 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.739 -5.449 5.287 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.101 -6.264 6.701 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.655 -7.080 6.297 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.006 -4.012 3.946 1.00 0.00 H new ATOM 0 HE1 HIS A 33 3.620 -5.861 5.218 1.00 0.00 H new ATOM 485 N LYS A 34 -3.570 -8.533 4.637 1.00 0.00 N ATOM 486 CA LYS A 34 -4.819 -9.292 4.875 1.00 0.00 C ATOM 487 C LYS A 34 -5.832 -8.620 5.829 1.00 0.00 C ATOM 488 O LYS A 34 -5.532 -7.652 6.533 1.00 0.00 O ATOM 489 CB LYS A 34 -4.522 -10.764 5.261 1.00 0.00 C ATOM 490 CG LYS A 34 -3.808 -11.590 4.172 1.00 0.00 C ATOM 491 CD LYS A 34 -2.275 -11.532 4.256 1.00 0.00 C ATOM 492 CE LYS A 34 -1.632 -12.255 3.068 1.00 0.00 C ATOM 493 NZ LYS A 34 -0.155 -12.093 3.080 1.00 0.00 N ATOM 0 H LYS A 34 -3.479 -8.269 3.656 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.335 -9.289 3.915 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.909 -10.771 6.162 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.462 -11.255 5.511 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.128 -12.629 4.249 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.123 -11.231 3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.947 -10.493 4.274 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.941 -11.988 5.188 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.885 -13.315 3.103 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.037 -11.861 2.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.248 -12.519 2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.083 -11.081 3.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.239 -12.565 3.918 1.00 0.00 H new ATOM 507 N LYS A 35 -7.062 -9.150 5.841 1.00 0.00 N ATOM 508 CA LYS A 35 -8.161 -8.747 6.738 1.00 0.00 C ATOM 509 C LYS A 35 -7.820 -8.983 8.222 1.00 0.00 C ATOM 510 O LYS A 35 -7.218 -9.997 8.579 1.00 0.00 O ATOM 511 CB LYS A 35 -9.454 -9.488 6.312 1.00 0.00 C ATOM 512 CG LYS A 35 -10.581 -9.388 7.356 1.00 0.00 C ATOM 513 CD LYS A 35 -11.928 -9.980 6.918 1.00 0.00 C ATOM 514 CE LYS A 35 -12.827 -10.280 8.135 1.00 0.00 C ATOM 515 NZ LYS A 35 -13.074 -9.085 8.986 1.00 0.00 N ATOM 0 H LYS A 35 -7.332 -9.899 5.204 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.318 -7.673 6.643 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.806 -9.077 5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.222 -10.538 6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.258 -9.894 8.266 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.728 -8.338 7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.435 -9.283 6.251 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.759 -10.896 6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.782 -10.674 7.786 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.362 -11.059 8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.612 -9.366 9.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.165 -8.671 9.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.618 -8.381 8.447 1.00 0.00 H new ATOM 529 N ILE A 36 -8.281 -8.068 9.079 1.00 0.00 N ATOM 530 CA ILE A 36 -8.321 -8.195 10.548 1.00 0.00 C ATOM 531 C ILE A 36 -9.747 -8.592 10.985 1.00 0.00 C ATOM 532 O ILE A 36 -10.715 -8.246 10.299 1.00 0.00 O ATOM 533 CB ILE A 36 -7.789 -6.903 11.219 1.00 0.00 C ATOM 534 CG1 ILE A 36 -7.625 -7.007 12.751 1.00 0.00 C ATOM 535 CG2 ILE A 36 -8.666 -5.676 10.902 1.00 0.00 C ATOM 536 CD1 ILE A 36 -6.658 -8.107 13.206 1.00 0.00 C ATOM 0 H ILE A 36 -8.655 -7.175 8.758 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.656 -8.991 10.884 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.798 -6.774 10.784 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.274 -6.049 13.133 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -8.602 -7.190 13.198 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -8.252 -4.796 11.395 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -8.687 -5.512 9.825 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.680 -5.850 11.262 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.600 -8.113 14.294 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.017 -9.075 12.857 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.668 -7.916 12.791 1.00 0.00 H new ATOM 548 N LYS A 37 -9.884 -9.348 12.084 1.00 0.00 N ATOM 549 CA LYS A 37 -11.133 -9.999 12.542 1.00 0.00 C ATOM 550 C LYS A 37 -12.364 -9.072 12.541 1.00 0.00 C ATOM 551 O LYS A 37 -12.385 -8.074 13.298 1.00 0.00 O ATOM 552 CB LYS A 37 -10.918 -10.615 13.941 1.00 0.00 C ATOM 553 CG LYS A 37 -9.858 -11.730 14.020 1.00 0.00 C ATOM 554 CD LYS A 37 -10.228 -12.982 13.211 1.00 0.00 C ATOM 555 CE LYS A 37 -9.199 -14.090 13.461 1.00 0.00 C ATOM 556 NZ LYS A 37 -9.543 -15.338 12.727 1.00 0.00 N ATOM 557 OXT LYS A 37 -13.311 -9.369 11.774 1.00 0.00 O ATOM 0 H LYS A 37 -9.099 -9.534 12.708 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.357 -10.781 11.816 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.634 -9.819 14.629 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.869 -11.016 14.292 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.906 -11.342 13.659 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.713 -12.010 15.063 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.222 -13.327 13.494 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.264 -12.741 12.149 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.212 -13.746 13.151 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.143 -14.300 14.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.824 -16.064 12.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -10.474 -15.680 13.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.572 -15.143 11.706 1.00 0.00 H new TER 571 LYS A 37 HETATM 572 ZN ZN A 101 2.978 -3.181 3.422 1.00 0.00 ZN