USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 284 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 Single : A 1 GLY N :NH3+ -142:sc= 0.0151 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.065) 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 19 CYS SG : rot 109:sc= 1.21 USER MOD Single : A 21 SER OG : rot 180:sc= -0.978 USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0232) USER MOD Single : A 24 HIS : no HD1:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.353) USER MOD Single : A 34 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00719) USER MOD Single : A 35 LYS NZ :NH3+ 163:sc= -0.0254 (180deg=-0.267) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 31.639 -4.974 -4.324 1.00 0.00 N ATOM 2 CA GLY A 1 31.083 -3.636 -4.414 1.00 0.00 C ATOM 3 C GLY A 1 30.012 -3.382 -3.372 1.00 0.00 C ATOM 4 O GLY A 1 30.115 -3.851 -2.239 1.00 0.00 O ATOM 0 H1 GLY A 1 32.661 -4.939 -4.514 1.00 0.00 H new ATOM 0 H2 GLY A 1 31.477 -5.354 -3.370 1.00 0.00 H new ATOM 0 H3 GLY A 1 31.178 -5.589 -5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.883 -2.905 -4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.661 -3.487 -5.408 1.00 0.00 H new ATOM 8 N SER A 2 28.980 -2.637 -3.756 1.00 0.00 N ATOM 9 CA SER A 2 27.888 -2.316 -2.845 1.00 0.00 C ATOM 10 C SER A 2 26.557 -2.824 -3.392 1.00 0.00 C ATOM 11 O SER A 2 25.761 -3.418 -2.665 1.00 0.00 O ATOM 12 CB SER A 2 27.814 -0.805 -2.615 1.00 0.00 C ATOM 13 OG SER A 2 29.008 -0.320 -2.026 1.00 0.00 O ATOM 0 H SER A 2 28.878 -2.245 -4.692 1.00 0.00 H new ATOM 0 HA SER A 2 28.084 -2.812 -1.894 1.00 0.00 H new ATOM 0 HB2 SER A 2 27.641 -0.298 -3.564 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.966 -0.573 -1.970 1.00 0.00 H new ATOM 0 HG SER A 2 28.936 0.648 -1.891 1.00 0.00 H new ATOM 19 N SER A 3 26.325 -2.587 -4.679 1.00 0.00 N ATOM 20 CA SER A 3 25.090 -3.017 -5.324 1.00 0.00 C ATOM 21 C SER A 3 24.804 -4.486 -5.027 1.00 0.00 C ATOM 22 O SER A 3 25.707 -5.321 -5.045 1.00 0.00 O ATOM 23 CB SER A 3 25.176 -2.798 -6.836 1.00 0.00 C ATOM 24 OG SER A 3 23.989 -3.225 -7.482 1.00 0.00 O ATOM 0 H SER A 3 26.976 -2.100 -5.295 1.00 0.00 H new ATOM 0 HA SER A 3 24.273 -2.418 -4.923 1.00 0.00 H new ATOM 0 HB2 SER A 3 25.347 -1.742 -7.044 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.029 -3.345 -7.238 1.00 0.00 H new ATOM 0 HG SER A 3 24.069 -3.073 -8.447 1.00 0.00 H new ATOM 30 N GLY A 4 23.540 -4.793 -4.753 1.00 0.00 N ATOM 31 CA GLY A 4 23.156 -6.161 -4.455 1.00 0.00 C ATOM 32 C GLY A 4 21.658 -6.321 -4.293 1.00 0.00 C ATOM 33 O GLY A 4 20.920 -6.349 -5.278 1.00 0.00 O ATOM 0 H GLY A 4 22.775 -4.119 -4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.504 -6.815 -5.255 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.654 -6.484 -3.540 1.00 0.00 H new ATOM 37 N SER A 5 21.207 -6.427 -3.047 1.00 0.00 N ATOM 38 CA SER A 5 19.787 -6.590 -2.760 1.00 0.00 C ATOM 39 C SER A 5 19.107 -5.235 -2.592 1.00 0.00 C ATOM 40 O SER A 5 19.352 -4.522 -1.619 1.00 0.00 O ATOM 41 CB SER A 5 19.594 -7.431 -1.496 1.00 0.00 C ATOM 42 OG SER A 5 18.226 -7.502 -1.135 1.00 0.00 O ATOM 0 H SER A 5 21.804 -6.403 -2.221 1.00 0.00 H new ATOM 0 HA SER A 5 19.328 -7.105 -3.604 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.982 -8.436 -1.661 1.00 0.00 H new ATOM 0 HB3 SER A 5 20.168 -6.998 -0.676 1.00 0.00 H new ATOM 0 HG SER A 5 18.129 -8.046 -0.326 1.00 0.00 H new ATOM 48 N SER A 6 18.251 -4.887 -3.547 1.00 0.00 N ATOM 49 CA SER A 6 17.537 -3.616 -3.508 1.00 0.00 C ATOM 50 C SER A 6 16.139 -3.795 -2.925 1.00 0.00 C ATOM 51 O SER A 6 15.531 -4.857 -3.056 1.00 0.00 O ATOM 52 CB SER A 6 17.443 -3.016 -4.912 1.00 0.00 C ATOM 53 OG SER A 6 18.599 -2.255 -5.220 1.00 0.00 O ATOM 0 H SER A 6 18.035 -5.467 -4.357 1.00 0.00 H new ATOM 0 HA SER A 6 18.095 -2.935 -2.866 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.323 -3.814 -5.645 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.558 -2.384 -4.982 1.00 0.00 H new ATOM 0 HG SER A 6 18.515 -1.884 -6.123 1.00 0.00 H new ATOM 59 N GLY A 7 15.635 -2.748 -2.279 1.00 0.00 N ATOM 60 CA GLY A 7 14.312 -2.809 -1.685 1.00 0.00 C ATOM 61 C GLY A 7 14.298 -2.324 -0.249 1.00 0.00 C ATOM 62 O GLY A 7 13.916 -1.186 0.024 1.00 0.00 O ATOM 0 H GLY A 7 16.119 -1.859 -2.156 1.00 0.00 H new ATOM 0 HA2 GLY A 7 13.624 -2.205 -2.276 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.948 -3.836 -1.722 1.00 0.00 H new ATOM 66 N GLU A 8 14.715 -3.188 0.671 1.00 0.00 N ATOM 67 CA GLU A 8 14.746 -2.841 2.087 1.00 0.00 C ATOM 68 C GLU A 8 13.585 -1.918 2.446 1.00 0.00 C ATOM 69 O GLU A 8 13.753 -0.950 3.188 1.00 0.00 O ATOM 70 CB GLU A 8 16.074 -2.169 2.441 1.00 0.00 C ATOM 71 CG GLU A 8 16.244 -0.792 1.821 1.00 0.00 C ATOM 72 CD GLU A 8 17.673 -0.289 1.900 1.00 0.00 C ATOM 73 OE1 GLU A 8 18.598 -1.093 1.660 1.00 0.00 O ATOM 74 OE2 GLU A 8 17.865 0.907 2.201 1.00 0.00 O ATOM 0 H GLU A 8 15.036 -4.133 0.461 1.00 0.00 H new ATOM 0 HA GLU A 8 14.648 -3.761 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 8 16.150 -2.082 3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.894 -2.809 2.114 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.932 -0.827 0.777 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.586 -0.086 2.327 1.00 0.00 H new ATOM 81 N LYS A 9 12.407 -2.224 1.914 1.00 0.00 N ATOM 82 CA LYS A 9 11.216 -1.425 2.178 1.00 0.00 C ATOM 83 C LYS A 9 9.981 -2.311 2.300 1.00 0.00 C ATOM 84 O LYS A 9 9.818 -3.272 1.548 1.00 0.00 O ATOM 85 CB LYS A 9 11.011 -0.396 1.063 1.00 0.00 C ATOM 86 CG LYS A 9 9.975 0.663 1.396 1.00 0.00 C ATOM 87 CD LYS A 9 10.555 1.750 2.285 1.00 0.00 C ATOM 88 CE LYS A 9 9.460 2.551 2.974 1.00 0.00 C ATOM 89 NZ LYS A 9 8.829 1.786 4.085 1.00 0.00 N ATOM 0 H LYS A 9 12.251 -3.021 1.296 1.00 0.00 H new ATOM 0 HA LYS A 9 11.361 -0.904 3.124 1.00 0.00 H new ATOM 0 HB2 LYS A 9 11.962 0.092 0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 9 10.709 -0.914 0.153 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.599 1.108 0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.125 0.198 1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.205 1.299 3.035 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.175 2.418 1.687 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.879 3.479 3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.698 2.827 2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.212 2.417 4.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.264 1.006 3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 9.569 1.400 4.705 1.00 0.00 H new ATOM 103 N PHE A 10 9.114 -1.982 3.251 1.00 0.00 N ATOM 104 CA PHE A 10 7.893 -2.748 3.471 1.00 0.00 C ATOM 105 C PHE A 10 6.772 -2.259 2.559 1.00 0.00 C ATOM 106 O PHE A 10 6.773 -1.110 2.118 1.00 0.00 O ATOM 107 CB PHE A 10 7.458 -2.645 4.935 1.00 0.00 C ATOM 108 CG PHE A 10 6.166 -3.354 5.227 1.00 0.00 C ATOM 109 CD1 PHE A 10 6.127 -4.736 5.326 1.00 0.00 C ATOM 110 CD2 PHE A 10 4.993 -2.640 5.405 1.00 0.00 C ATOM 111 CE1 PHE A 10 4.940 -5.391 5.594 1.00 0.00 C ATOM 112 CE2 PHE A 10 3.803 -3.290 5.674 1.00 0.00 C ATOM 113 CZ PHE A 10 3.777 -4.667 5.769 1.00 0.00 C ATOM 0 H PHE A 10 9.234 -1.190 3.882 1.00 0.00 H new ATOM 0 HA PHE A 10 8.100 -3.791 3.234 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.242 -3.059 5.569 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.355 -1.593 5.202 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.034 -5.307 5.192 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.008 -1.563 5.333 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.922 -6.468 5.667 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.895 -2.721 5.810 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.849 -5.177 5.980 1.00 0.00 H new ATOM 123 N ALA A 11 5.817 -3.140 2.281 1.00 0.00 N ATOM 124 CA ALA A 11 4.689 -2.798 1.423 1.00 0.00 C ATOM 125 C ALA A 11 3.374 -3.278 2.029 1.00 0.00 C ATOM 126 O ALA A 11 3.355 -4.188 2.858 1.00 0.00 O ATOM 127 CB ALA A 11 4.881 -3.393 0.036 1.00 0.00 C ATOM 0 H ALA A 11 5.802 -4.096 2.637 1.00 0.00 H new ATOM 0 HA ALA A 11 4.645 -1.712 1.337 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.031 -3.130 -0.594 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.796 -2.998 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.953 -4.478 0.112 1.00 0.00 H new ATOM 133 N CYS A 12 2.275 -2.659 1.610 1.00 0.00 N ATOM 134 CA CYS A 12 0.955 -3.021 2.112 1.00 0.00 C ATOM 135 C CYS A 12 0.703 -4.517 1.949 1.00 0.00 C ATOM 136 O CYS A 12 1.073 -5.113 0.937 1.00 0.00 O ATOM 137 CB CYS A 12 -0.128 -2.228 1.378 1.00 0.00 C ATOM 138 SG CYS A 12 -1.759 -2.270 2.188 1.00 0.00 S ATOM 0 H CYS A 12 2.273 -1.904 0.924 1.00 0.00 H new ATOM 0 HA CYS A 12 0.918 -2.777 3.174 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.194 -1.191 1.288 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.227 -2.620 0.366 1.00 0.00 H new ATOM 143 N ASP A 13 0.070 -5.118 2.951 1.00 0.00 N ATOM 144 CA ASP A 13 -0.233 -6.544 2.919 1.00 0.00 C ATOM 145 C ASP A 13 -1.566 -6.800 2.223 1.00 0.00 C ATOM 146 O ASP A 13 -1.620 -7.463 1.186 1.00 0.00 O ATOM 147 CB ASP A 13 -0.267 -7.112 4.339 1.00 0.00 C ATOM 148 CG ASP A 13 -0.037 -8.610 4.369 1.00 0.00 C ATOM 149 OD1 ASP A 13 0.678 -9.118 3.480 1.00 0.00 O ATOM 150 OD2 ASP A 13 -0.571 -9.273 5.282 1.00 0.00 O ATOM 0 H ASP A 13 -0.243 -4.639 3.796 1.00 0.00 H new ATOM 0 HA ASP A 13 0.553 -7.045 2.355 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.494 -6.618 4.943 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.231 -6.886 4.795 1.00 0.00 H new ATOM 155 N TYR A 14 -2.640 -6.273 2.800 1.00 0.00 N ATOM 156 CA TYR A 14 -3.974 -6.448 2.237 1.00 0.00 C ATOM 157 C TYR A 14 -3.929 -6.428 0.713 1.00 0.00 C ATOM 158 O TYR A 14 -4.564 -7.249 0.050 1.00 0.00 O ATOM 159 CB TYR A 14 -4.912 -5.351 2.745 1.00 0.00 C ATOM 160 CG TYR A 14 -4.794 -5.093 4.230 1.00 0.00 C ATOM 161 CD1 TYR A 14 -5.554 -5.812 5.143 1.00 0.00 C ATOM 162 CD2 TYR A 14 -3.920 -4.129 4.719 1.00 0.00 C ATOM 163 CE1 TYR A 14 -5.450 -5.578 6.501 1.00 0.00 C ATOM 164 CE2 TYR A 14 -3.808 -3.890 6.075 1.00 0.00 C ATOM 165 CZ TYR A 14 -4.575 -4.616 6.962 1.00 0.00 C ATOM 166 OH TYR A 14 -4.467 -4.382 8.314 1.00 0.00 O ATOM 0 H TYR A 14 -2.613 -5.721 3.657 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.352 -7.419 2.558 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.702 -4.427 2.206 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.940 -5.628 2.514 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -6.238 -6.567 4.786 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.319 -3.558 4.027 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -6.050 -6.145 7.197 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.123 -3.138 6.439 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.807 -3.675 8.472 1.00 0.00 H new ATOM 176 N CYS A 15 -3.172 -5.485 0.162 1.00 0.00 N ATOM 177 CA CYS A 15 -3.042 -5.356 -1.285 1.00 0.00 C ATOM 178 C CYS A 15 -1.574 -5.272 -1.693 1.00 0.00 C ATOM 179 O CYS A 15 -0.698 -5.055 -0.857 1.00 0.00 O ATOM 180 CB CYS A 15 -3.792 -4.117 -1.777 1.00 0.00 C ATOM 181 SG CYS A 15 -2.929 -2.546 -1.447 1.00 0.00 S ATOM 0 H CYS A 15 -2.639 -4.799 0.696 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.479 -6.242 -1.745 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.959 -4.209 -2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.773 -4.087 -1.303 1.00 0.00 H new ATOM 186 N SER A 16 -1.314 -5.446 -2.985 1.00 0.00 N ATOM 187 CA SER A 16 0.047 -5.394 -3.505 1.00 0.00 C ATOM 188 C SER A 16 0.346 -4.024 -4.107 1.00 0.00 C ATOM 189 O SER A 16 0.678 -3.912 -5.288 1.00 0.00 O ATOM 190 CB SER A 16 0.256 -6.483 -4.558 1.00 0.00 C ATOM 191 OG SER A 16 0.093 -7.774 -3.996 1.00 0.00 O ATOM 0 H SER A 16 -2.028 -5.624 -3.691 1.00 0.00 H new ATOM 0 HA SER A 16 0.733 -5.565 -2.676 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.454 -6.346 -5.374 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.254 -6.393 -4.986 1.00 0.00 H new ATOM 0 HG SER A 16 0.230 -8.452 -4.690 1.00 0.00 H new ATOM 197 N PHE A 17 0.225 -2.985 -3.288 1.00 0.00 N ATOM 198 CA PHE A 17 0.481 -1.622 -3.739 1.00 0.00 C ATOM 199 C PHE A 17 1.836 -1.129 -3.237 1.00 0.00 C ATOM 200 O PHE A 17 2.175 -1.295 -2.065 1.00 0.00 O ATOM 201 CB PHE A 17 -0.627 -0.685 -3.254 1.00 0.00 C ATOM 202 CG PHE A 17 -0.202 0.753 -3.169 1.00 0.00 C ATOM 203 CD1 PHE A 17 -0.177 1.549 -4.303 1.00 0.00 C ATOM 204 CD2 PHE A 17 0.173 1.308 -1.956 1.00 0.00 C ATOM 205 CE1 PHE A 17 0.214 2.873 -4.227 1.00 0.00 C ATOM 206 CE2 PHE A 17 0.565 2.631 -1.875 1.00 0.00 C ATOM 207 CZ PHE A 17 0.584 3.415 -3.012 1.00 0.00 C ATOM 0 H PHE A 17 -0.049 -3.061 -2.308 1.00 0.00 H new ATOM 0 HA PHE A 17 0.495 -1.623 -4.829 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.480 -0.764 -3.928 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.966 -1.014 -2.272 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.466 1.131 -5.256 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.159 0.700 -1.064 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.230 3.483 -5.118 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.856 3.051 -0.924 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.888 4.450 -2.951 1.00 0.00 H new ATOM 217 N THR A 18 2.606 -0.521 -4.134 1.00 0.00 N ATOM 218 CA THR A 18 3.924 -0.005 -3.785 1.00 0.00 C ATOM 219 C THR A 18 3.916 1.518 -3.710 1.00 0.00 C ATOM 220 O THR A 18 3.390 2.189 -4.598 1.00 0.00 O ATOM 221 CB THR A 18 4.990 -0.452 -4.802 1.00 0.00 C ATOM 222 OG1 THR A 18 4.663 0.044 -6.105 1.00 0.00 O ATOM 223 CG2 THR A 18 5.096 -1.969 -4.844 1.00 0.00 C ATOM 0 H THR A 18 2.340 -0.374 -5.108 1.00 0.00 H new ATOM 0 HA THR A 18 4.174 -0.413 -2.806 1.00 0.00 H new ATOM 0 HB THR A 18 5.951 -0.045 -4.489 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.347 -0.243 -6.745 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.855 -2.261 -5.570 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.374 -2.342 -3.858 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.135 -2.393 -5.134 1.00 0.00 H new ATOM 231 N CYS A 19 4.502 2.056 -2.647 1.00 0.00 N ATOM 232 CA CYS A 19 4.562 3.501 -2.456 1.00 0.00 C ATOM 233 C CYS A 19 5.998 4.004 -2.559 1.00 0.00 C ATOM 234 O CYS A 19 6.931 3.218 -2.732 1.00 0.00 O ATOM 235 CB CYS A 19 3.971 3.882 -1.098 1.00 0.00 C ATOM 236 SG CYS A 19 5.003 3.419 0.312 1.00 0.00 S ATOM 0 H CYS A 19 4.943 1.514 -1.904 1.00 0.00 H new ATOM 0 HA CYS A 19 3.974 3.972 -3.244 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.805 4.959 -1.075 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.996 3.407 -0.992 1.00 0.00 H new ATOM 0 HG CYS A 19 5.516 4.488 0.844 1.00 0.00 H new ATOM 242 N LEU A 20 6.169 5.317 -2.452 1.00 0.00 N ATOM 243 CA LEU A 20 7.492 5.925 -2.534 1.00 0.00 C ATOM 244 C LEU A 20 7.938 6.446 -1.171 1.00 0.00 C ATOM 245 O LEU A 20 9.088 6.263 -0.772 1.00 0.00 O ATOM 246 CB LEU A 20 7.487 7.067 -3.552 1.00 0.00 C ATOM 247 CG LEU A 20 8.854 7.496 -4.086 1.00 0.00 C ATOM 248 CD1 LEU A 20 9.778 7.882 -2.941 1.00 0.00 C ATOM 249 CD2 LEU A 20 9.473 6.384 -4.921 1.00 0.00 C ATOM 0 H LEU A 20 5.408 5.981 -2.308 1.00 0.00 H new ATOM 0 HA LEU A 20 8.197 5.160 -2.858 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.866 6.771 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 20 7.010 7.933 -3.094 1.00 0.00 H new ATOM 0 HG LEU A 20 8.716 8.369 -4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.746 8.184 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.341 8.711 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 20 9.911 7.028 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.445 6.707 -5.293 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.597 5.493 -4.306 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.820 6.155 -5.763 1.00 0.00 H new ATOM 261 N SER A 21 7.019 7.092 -0.461 1.00 0.00 N ATOM 262 CA SER A 21 7.317 7.640 0.857 1.00 0.00 C ATOM 263 C SER A 21 6.719 6.768 1.956 1.00 0.00 C ATOM 264 O SER A 21 5.811 5.974 1.710 1.00 0.00 O ATOM 265 CB SER A 21 6.779 9.068 0.973 1.00 0.00 C ATOM 266 OG SER A 21 5.368 9.092 0.852 1.00 0.00 O ATOM 0 H SER A 21 6.062 7.249 -0.776 1.00 0.00 H new ATOM 0 HA SER A 21 8.400 7.657 0.980 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.072 9.494 1.933 1.00 0.00 H new ATOM 0 HB3 SER A 21 7.224 9.692 0.198 1.00 0.00 H new ATOM 0 HG SER A 21 5.049 10.015 0.931 1.00 0.00 H new ATOM 272 N LYS A 22 7.234 6.922 3.171 1.00 0.00 N ATOM 273 CA LYS A 22 6.752 6.151 4.311 1.00 0.00 C ATOM 274 C LYS A 22 5.321 6.543 4.667 1.00 0.00 C ATOM 275 O LYS A 22 4.463 5.685 4.867 1.00 0.00 O ATOM 276 CB LYS A 22 7.666 6.363 5.520 1.00 0.00 C ATOM 277 CG LYS A 22 9.048 5.757 5.351 1.00 0.00 C ATOM 278 CD LYS A 22 9.920 6.010 6.569 1.00 0.00 C ATOM 279 CE LYS A 22 10.415 7.447 6.613 1.00 0.00 C ATOM 280 NZ LYS A 22 11.514 7.685 5.636 1.00 0.00 N ATOM 0 H LYS A 22 7.986 7.575 3.392 1.00 0.00 H new ATOM 0 HA LYS A 22 6.763 5.096 4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 22 7.768 7.432 5.705 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.194 5.930 6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.958 4.684 5.184 1.00 0.00 H new ATOM 0 HG3 LYS A 22 9.526 6.179 4.467 1.00 0.00 H new ATOM 0 HD2 LYS A 22 9.354 5.792 7.474 1.00 0.00 H new ATOM 0 HD3 LYS A 22 10.773 5.331 6.554 1.00 0.00 H new ATOM 0 HE2 LYS A 22 9.587 8.123 6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 22 10.766 7.680 7.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 11.904 8.639 5.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.264 6.979 5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.142 7.603 4.668 1.00 0.00 H new ATOM 294 N GLY A 23 5.071 7.847 4.742 1.00 0.00 N ATOM 295 CA GLY A 23 3.743 8.329 5.073 1.00 0.00 C ATOM 296 C GLY A 23 2.680 7.787 4.138 1.00 0.00 C ATOM 297 O GLY A 23 1.595 7.402 4.576 1.00 0.00 O ATOM 0 H GLY A 23 5.764 8.577 4.580 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.501 8.044 6.097 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.735 9.418 5.035 1.00 0.00 H new ATOM 301 N HIS A 24 2.990 7.757 2.846 1.00 0.00 N ATOM 302 CA HIS A 24 2.052 7.259 1.846 1.00 0.00 C ATOM 303 C HIS A 24 1.482 5.906 2.262 1.00 0.00 C ATOM 304 O HIS A 24 0.308 5.616 2.027 1.00 0.00 O ATOM 305 CB HIS A 24 2.740 7.139 0.486 1.00 0.00 C ATOM 306 CG HIS A 24 1.813 7.337 -0.674 1.00 0.00 C ATOM 307 ND1 HIS A 24 2.148 8.077 -1.788 1.00 0.00 N ATOM 308 CD2 HIS A 24 0.555 6.885 -0.889 1.00 0.00 C ATOM 309 CE1 HIS A 24 1.136 8.072 -2.638 1.00 0.00 C ATOM 310 NE2 HIS A 24 0.157 7.356 -2.116 1.00 0.00 N ATOM 0 H HIS A 24 3.883 8.072 2.467 1.00 0.00 H new ATOM 0 HA HIS A 24 1.231 7.971 1.768 1.00 0.00 H new ATOM 0 HB2 HIS A 24 3.543 7.874 0.428 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.202 6.155 0.407 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -0.027 6.269 -0.220 1.00 0.00 H new ATOM 0 HE1 HIS A 24 1.114 8.569 -3.597 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -0.748 7.181 -2.553 1.00 0.00 H new ATOM 318 N LEU A 25 2.320 5.082 2.880 1.00 0.00 N ATOM 319 CA LEU A 25 1.901 3.758 3.329 1.00 0.00 C ATOM 320 C LEU A 25 0.830 3.864 4.410 1.00 0.00 C ATOM 321 O LEU A 25 -0.111 3.071 4.448 1.00 0.00 O ATOM 322 CB LEU A 25 3.102 2.973 3.859 1.00 0.00 C ATOM 323 CG LEU A 25 2.779 1.691 4.627 1.00 0.00 C ATOM 324 CD1 LEU A 25 2.097 0.681 3.717 1.00 0.00 C ATOM 325 CD2 LEU A 25 4.044 1.099 5.231 1.00 0.00 C ATOM 0 H LEU A 25 3.294 5.307 3.082 1.00 0.00 H new ATOM 0 HA LEU A 25 1.478 3.229 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.744 2.716 3.016 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.680 3.628 4.511 1.00 0.00 H new ATOM 0 HG LEU A 25 2.094 1.938 5.438 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.875 -0.225 4.281 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.170 1.106 3.332 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.757 0.437 2.885 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.796 0.187 5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.752 0.866 4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.491 1.819 5.916 1.00 0.00 H new ATOM 337 N LYS A 26 0.978 4.851 5.287 1.00 0.00 N ATOM 338 CA LYS A 26 0.023 5.065 6.368 1.00 0.00 C ATOM 339 C LYS A 26 -1.298 5.602 5.828 1.00 0.00 C ATOM 340 O LYS A 26 -2.344 4.970 5.977 1.00 0.00 O ATOM 341 CB LYS A 26 0.598 6.038 7.400 1.00 0.00 C ATOM 342 CG LYS A 26 1.380 5.356 8.509 1.00 0.00 C ATOM 343 CD LYS A 26 2.840 5.172 8.130 1.00 0.00 C ATOM 344 CE LYS A 26 3.665 6.402 8.476 1.00 0.00 C ATOM 345 NZ LYS A 26 5.105 6.215 8.146 1.00 0.00 N ATOM 0 H LYS A 26 1.751 5.516 5.270 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.164 4.105 6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.249 6.750 6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.218 6.611 7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.312 5.949 9.421 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.934 4.385 8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.245 4.303 8.649 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.917 4.970 7.062 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.277 7.264 7.933 1.00 0.00 H new ATOM 0 HE3 LYS A 26 3.562 6.622 9.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.571 7.143 8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.560 5.646 8.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.191 5.725 7.233 1.00 0.00 H new ATOM 359 N VAL A 27 -1.244 6.772 5.200 1.00 0.00 N ATOM 360 CA VAL A 27 -2.436 7.393 4.635 1.00 0.00 C ATOM 361 C VAL A 27 -3.179 6.426 3.721 1.00 0.00 C ATOM 362 O VAL A 27 -4.357 6.619 3.421 1.00 0.00 O ATOM 363 CB VAL A 27 -2.084 8.665 3.841 1.00 0.00 C ATOM 364 CG1 VAL A 27 -1.158 8.331 2.681 1.00 0.00 C ATOM 365 CG2 VAL A 27 -3.348 9.350 3.345 1.00 0.00 C ATOM 0 H VAL A 27 -0.387 7.309 5.070 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.079 7.663 5.473 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.562 9.354 4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.920 9.242 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.239 7.888 3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -1.651 7.623 2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -3.080 10.247 2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.900 8.670 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.971 9.625 4.196 1.00 0.00 H new ATOM 375 N HIS A 28 -2.482 5.383 3.281 1.00 0.00 N ATOM 376 CA HIS A 28 -3.076 4.383 2.400 1.00 0.00 C ATOM 377 C HIS A 28 -4.166 3.599 3.126 1.00 0.00 C ATOM 378 O HIS A 28 -5.353 3.758 2.840 1.00 0.00 O ATOM 379 CB HIS A 28 -2.002 3.426 1.882 1.00 0.00 C ATOM 380 CG HIS A 28 -2.549 2.304 1.054 1.00 0.00 C ATOM 381 ND1 HIS A 28 -3.198 2.501 -0.146 1.00 0.00 N ATOM 382 CD2 HIS A 28 -2.538 0.966 1.259 1.00 0.00 C ATOM 383 CE1 HIS A 28 -3.565 1.333 -0.643 1.00 0.00 C ATOM 384 NE2 HIS A 28 -3.176 0.385 0.191 1.00 0.00 N ATOM 0 H HIS A 28 -1.506 5.208 3.520 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.528 4.902 1.554 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.282 3.988 1.287 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.458 3.009 2.730 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -3.368 3.407 -0.582 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -2.107 0.451 2.105 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -4.093 1.179 -1.573 1.00 0.00 H new ATOM 392 N ILE A 29 -3.754 2.753 4.064 1.00 0.00 N ATOM 393 CA ILE A 29 -4.695 1.946 4.830 1.00 0.00 C ATOM 394 C ILE A 29 -5.644 2.825 5.637 1.00 0.00 C ATOM 395 O ILE A 29 -6.655 2.351 6.155 1.00 0.00 O ATOM 396 CB ILE A 29 -3.964 0.986 5.787 1.00 0.00 C ATOM 397 CG1 ILE A 29 -2.924 0.164 5.023 1.00 0.00 C ATOM 398 CG2 ILE A 29 -4.961 0.072 6.484 1.00 0.00 C ATOM 399 CD1 ILE A 29 -1.560 0.816 4.968 1.00 0.00 C ATOM 0 H ILE A 29 -2.775 2.609 4.312 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.269 1.362 4.110 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.449 1.575 6.546 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.831 -0.815 5.492 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.280 -0.002 4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.429 -0.601 7.157 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.668 0.673 7.056 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.501 -0.512 5.739 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.874 0.178 4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.639 1.783 4.472 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.183 0.957 5.981 1.00 0.00 H new ATOM 411 N GLU A 30 -5.312 4.108 5.738 1.00 0.00 N ATOM 412 CA GLU A 30 -6.137 5.054 6.481 1.00 0.00 C ATOM 413 C GLU A 30 -7.544 5.127 5.895 1.00 0.00 C ATOM 414 O GLU A 30 -8.535 4.992 6.613 1.00 0.00 O ATOM 415 CB GLU A 30 -5.495 6.443 6.470 1.00 0.00 C ATOM 416 CG GLU A 30 -4.538 6.680 7.626 1.00 0.00 C ATOM 417 CD GLU A 30 -5.256 6.871 8.948 1.00 0.00 C ATOM 418 OE1 GLU A 30 -6.236 7.644 8.984 1.00 0.00 O ATOM 419 OE2 GLU A 30 -4.838 6.248 9.946 1.00 0.00 O ATOM 0 H GLU A 30 -4.478 4.516 5.315 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.209 4.703 7.510 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.958 6.578 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.281 7.198 6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.855 5.834 7.707 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.931 7.561 7.416 1.00 0.00 H new ATOM 426 N ARG A 31 -7.622 5.343 4.586 1.00 0.00 N ATOM 427 CA ARG A 31 -8.907 5.436 3.903 1.00 0.00 C ATOM 428 C ARG A 31 -9.022 4.374 2.813 1.00 0.00 C ATOM 429 O ARG A 31 -9.985 3.608 2.777 1.00 0.00 O ATOM 430 CB ARG A 31 -9.085 6.828 3.294 1.00 0.00 C ATOM 431 CG ARG A 31 -7.939 7.248 2.388 1.00 0.00 C ATOM 432 CD ARG A 31 -7.756 8.757 2.383 1.00 0.00 C ATOM 433 NE ARG A 31 -7.102 9.226 1.164 1.00 0.00 N ATOM 434 CZ ARG A 31 -7.752 9.484 0.035 1.00 0.00 C ATOM 435 NH1 ARG A 31 -9.066 9.320 -0.030 1.00 0.00 N ATOM 436 NH2 ARG A 31 -7.088 9.907 -1.033 1.00 0.00 N ATOM 0 H ARG A 31 -6.811 5.457 3.978 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.694 5.265 4.638 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.014 6.850 2.724 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.187 7.557 4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.017 6.770 2.720 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.130 6.900 1.373 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.728 9.240 2.482 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.164 9.053 3.249 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.091 9.363 1.181 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.580 8.995 0.789 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.562 9.519 -0.899 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.077 10.034 -0.988 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.589 10.105 -1.899 1.00 0.00 H new ATOM 450 N VAL A 32 -8.033 4.335 1.925 1.00 0.00 N ATOM 451 CA VAL A 32 -8.023 3.367 0.835 1.00 0.00 C ATOM 452 C VAL A 32 -8.571 2.020 1.291 1.00 0.00 C ATOM 453 O VAL A 32 -9.221 1.310 0.523 1.00 0.00 O ATOM 454 CB VAL A 32 -6.602 3.168 0.275 1.00 0.00 C ATOM 455 CG1 VAL A 32 -6.636 2.298 -0.972 1.00 0.00 C ATOM 456 CG2 VAL A 32 -5.952 4.512 -0.019 1.00 0.00 C ATOM 0 H VAL A 32 -7.229 4.962 1.939 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.663 3.768 0.049 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.002 2.657 1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.623 2.169 -1.353 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.058 1.324 -0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.252 2.777 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.949 4.352 -0.414 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.549 5.052 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.892 5.096 0.900 1.00 0.00 H new ATOM 466 N HIS A 33 -8.305 1.673 2.546 1.00 0.00 N ATOM 467 CA HIS A 33 -8.773 0.410 3.106 1.00 0.00 C ATOM 468 C HIS A 33 -9.841 0.649 4.169 1.00 0.00 C ATOM 469 O HIS A 33 -10.996 0.256 4.004 1.00 0.00 O ATOM 470 CB HIS A 33 -7.604 -0.370 3.708 1.00 0.00 C ATOM 471 CG HIS A 33 -6.732 -1.029 2.683 1.00 0.00 C ATOM 472 ND1 HIS A 33 -7.064 -2.215 2.064 1.00 0.00 N ATOM 473 CD2 HIS A 33 -5.536 -0.659 2.169 1.00 0.00 C ATOM 474 CE1 HIS A 33 -6.109 -2.548 1.215 1.00 0.00 C ATOM 475 NE2 HIS A 33 -5.170 -1.620 1.258 1.00 0.00 N ATOM 0 H HIS A 33 -7.768 2.249 3.195 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.213 -0.175 2.299 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.997 0.307 4.308 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.995 -1.131 4.384 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -7.914 -2.752 2.235 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.974 0.227 2.427 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.098 -3.430 0.591 1.00 0.00 H new ATOM 483 N LYS A 34 -9.448 1.296 5.261 1.00 0.00 N ATOM 484 CA LYS A 34 -10.370 1.589 6.351 1.00 0.00 C ATOM 485 C LYS A 34 -11.241 0.377 6.667 1.00 0.00 C ATOM 486 O LYS A 34 -12.408 0.517 7.036 1.00 0.00 O ATOM 487 CB LYS A 34 -11.254 2.786 5.992 1.00 0.00 C ATOM 488 CG LYS A 34 -11.721 3.581 7.199 1.00 0.00 C ATOM 489 CD LYS A 34 -12.403 4.874 6.784 1.00 0.00 C ATOM 490 CE LYS A 34 -13.315 5.400 7.882 1.00 0.00 C ATOM 491 NZ LYS A 34 -12.558 5.729 9.122 1.00 0.00 N ATOM 0 H LYS A 34 -8.496 1.628 5.414 1.00 0.00 H new ATOM 0 HA LYS A 34 -9.782 1.833 7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.702 3.447 5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.125 2.431 5.442 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.411 2.977 7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.868 3.807 7.839 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.649 5.624 6.545 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.983 4.706 5.877 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.835 6.290 7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -14.077 4.655 8.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.210 6.116 9.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.110 4.867 9.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.825 6.434 8.904 1.00 0.00 H new ATOM 505 N LYS A 35 -10.667 -0.812 6.523 1.00 0.00 N ATOM 506 CA LYS A 35 -11.389 -2.049 6.795 1.00 0.00 C ATOM 507 C LYS A 35 -11.686 -2.189 8.285 1.00 0.00 C ATOM 508 O LYS A 35 -10.781 -2.417 9.089 1.00 0.00 O ATOM 509 CB LYS A 35 -10.580 -3.254 6.310 1.00 0.00 C ATOM 510 CG LYS A 35 -10.715 -3.517 4.820 1.00 0.00 C ATOM 511 CD LYS A 35 -12.025 -4.214 4.494 1.00 0.00 C ATOM 512 CE LYS A 35 -12.045 -4.719 3.059 1.00 0.00 C ATOM 513 NZ LYS A 35 -11.083 -5.836 2.850 1.00 0.00 N ATOM 0 H LYS A 35 -9.703 -0.945 6.219 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.335 -2.014 6.255 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.528 -3.095 6.549 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.900 -4.140 6.857 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.658 -2.574 4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.881 -4.131 4.481 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.173 -5.050 5.177 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.854 -3.524 4.650 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.051 -5.054 2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.802 -3.900 2.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.320 -6.338 1.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.118 -5.455 2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.139 -6.497 3.651 1.00 0.00 H new ATOM 527 N ILE A 36 -12.957 -2.053 8.646 1.00 0.00 N ATOM 528 CA ILE A 36 -13.372 -2.167 10.039 1.00 0.00 C ATOM 529 C ILE A 36 -13.875 -3.573 10.349 1.00 0.00 C ATOM 530 O ILE A 36 -14.823 -4.056 9.730 1.00 0.00 O ATOM 531 CB ILE A 36 -14.477 -1.151 10.382 1.00 0.00 C ATOM 532 CG1 ILE A 36 -13.982 0.276 10.138 1.00 0.00 C ATOM 533 CG2 ILE A 36 -14.924 -1.323 11.826 1.00 0.00 C ATOM 534 CD1 ILE A 36 -15.098 1.276 9.937 1.00 0.00 C ATOM 0 H ILE A 36 -13.718 -1.864 7.993 1.00 0.00 H new ATOM 0 HA ILE A 36 -12.494 -1.955 10.649 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.333 -1.334 9.733 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -13.372 0.590 10.985 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -13.336 0.283 9.260 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -15.705 -0.598 12.054 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -15.312 -2.332 11.969 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.075 -1.163 12.491 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -14.674 2.266 9.769 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -15.695 0.986 9.072 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -15.731 1.298 10.824 1.00 0.00 H new ATOM 546 N LYS A 37 -13.234 -4.225 11.313 1.00 0.00 N ATOM 547 CA LYS A 37 -13.617 -5.575 11.710 1.00 0.00 C ATOM 548 C LYS A 37 -15.019 -5.589 12.310 1.00 0.00 C ATOM 549 O LYS A 37 -15.356 -4.684 13.073 1.00 0.00 O ATOM 550 CB LYS A 37 -12.613 -6.137 12.719 1.00 0.00 C ATOM 551 CG LYS A 37 -12.751 -7.632 12.946 1.00 0.00 C ATOM 552 CD LYS A 37 -12.362 -8.423 11.709 1.00 0.00 C ATOM 553 CE LYS A 37 -11.904 -9.829 12.067 1.00 0.00 C ATOM 554 NZ LYS A 37 -11.011 -10.404 11.024 1.00 0.00 N ATOM 0 H LYS A 37 -12.446 -3.840 11.834 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.616 -6.202 10.819 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.602 -5.923 12.371 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.739 -5.620 13.670 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.122 -7.933 13.784 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.780 -7.866 13.220 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.212 -8.478 11.029 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.564 -7.903 11.180 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.380 -9.808 13.022 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.774 -10.473 12.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.721 -11.362 11.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -11.519 -10.448 10.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.168 -9.804 10.919 1.00 0.00 H new TER 568 LYS A 37 HETATM 569 ZN ZN A 101 -3.326 -1.644 0.522 1.00 0.00 ZN