USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 286 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 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+ 147:sc= 0.00475 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00137 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -47:sc= 0.118 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=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 19 CYS SG : rot 101:sc= 0.479 USER MOD Single : A 21 SER OG : rot 180:sc= 0.172 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 HIS : no HD1:sc= -0.11 X(o=-0.11,f=0) USER MOD Single : A 26 LYS NZ :NH3+ -171:sc= 1.27 (180deg=1.2) USER MOD Single : A 34 LYS NZ :NH3+ -156:sc= 1.19 (180deg=0.766) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.237 23.857 -10.377 1.00 0.00 N ATOM 2 CA GLY A 1 2.571 24.343 -9.956 1.00 0.00 C ATOM 3 C GLY A 1 3.667 23.363 -10.347 1.00 0.00 C ATOM 4 O GLY A 1 3.486 22.151 -10.230 1.00 0.00 O ATOM 0 H1 GLY A 1 0.521 24.167 -9.689 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.007 24.244 -11.314 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.245 22.818 -10.424 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.768 25.313 -10.413 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.582 24.492 -8.876 1.00 0.00 H new ATOM 10 N SER A 2 4.813 23.872 -10.808 1.00 0.00 N ATOM 11 CA SER A 2 5.960 23.072 -11.288 1.00 0.00 C ATOM 12 C SER A 2 6.862 22.509 -10.176 1.00 0.00 C ATOM 13 O SER A 2 7.665 21.607 -10.434 1.00 0.00 O ATOM 14 CB SER A 2 6.788 23.911 -12.270 1.00 0.00 C ATOM 15 OG SER A 2 7.207 25.127 -11.665 1.00 0.00 O ATOM 0 H SER A 2 4.980 24.877 -10.862 1.00 0.00 H new ATOM 0 HA SER A 2 5.536 22.197 -11.781 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.659 23.343 -12.596 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.196 24.127 -13.160 1.00 0.00 H new ATOM 0 HG SER A 2 7.735 25.647 -12.307 1.00 0.00 H new ATOM 21 N SER A 3 6.718 22.992 -8.937 1.00 0.00 N ATOM 22 CA SER A 3 7.437 22.525 -7.739 1.00 0.00 C ATOM 23 C SER A 3 6.567 22.617 -6.475 1.00 0.00 C ATOM 24 O SER A 3 5.531 23.289 -6.462 1.00 0.00 O ATOM 25 CB SER A 3 8.742 23.317 -7.562 1.00 0.00 C ATOM 26 OG SER A 3 8.490 24.701 -7.352 1.00 0.00 O ATOM 0 H SER A 3 6.070 23.752 -8.729 1.00 0.00 H new ATOM 0 HA SER A 3 7.679 21.472 -7.886 1.00 0.00 H new ATOM 0 HB2 SER A 3 9.300 22.916 -6.716 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.368 23.190 -8.445 1.00 0.00 H new ATOM 0 HG SER A 3 9.340 25.175 -7.242 1.00 0.00 H new ATOM 32 N GLY A 4 6.961 21.912 -5.407 1.00 0.00 N ATOM 33 CA GLY A 4 6.318 21.922 -4.079 1.00 0.00 C ATOM 34 C GLY A 4 4.993 21.146 -3.974 1.00 0.00 C ATOM 35 O GLY A 4 4.758 20.459 -2.978 1.00 0.00 O ATOM 0 H GLY A 4 7.770 21.292 -5.442 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.018 21.509 -3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.135 22.957 -3.792 1.00 0.00 H new ATOM 39 N SER A 5 4.153 21.211 -5.012 1.00 0.00 N ATOM 40 CA SER A 5 2.860 20.511 -5.133 1.00 0.00 C ATOM 41 C SER A 5 2.676 19.863 -6.523 1.00 0.00 C ATOM 42 O SER A 5 1.554 19.649 -6.991 1.00 0.00 O ATOM 43 CB SER A 5 1.724 21.481 -4.772 1.00 0.00 C ATOM 44 OG SER A 5 0.510 20.794 -4.501 1.00 0.00 O ATOM 0 H SER A 5 4.362 21.779 -5.833 1.00 0.00 H new ATOM 0 HA SER A 5 2.838 19.681 -4.427 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.011 22.069 -3.900 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.570 22.182 -5.593 1.00 0.00 H new ATOM 0 HG SER A 5 0.344 20.133 -5.205 1.00 0.00 H new ATOM 50 N SER A 6 3.785 19.562 -7.208 1.00 0.00 N ATOM 51 CA SER A 6 3.825 19.005 -8.574 1.00 0.00 C ATOM 52 C SER A 6 3.528 17.496 -8.659 1.00 0.00 C ATOM 53 O SER A 6 3.273 16.979 -9.750 1.00 0.00 O ATOM 54 CB SER A 6 5.191 19.313 -9.198 1.00 0.00 C ATOM 55 OG SER A 6 6.245 18.871 -8.353 1.00 0.00 O ATOM 0 H SER A 6 4.716 19.703 -6.816 1.00 0.00 H new ATOM 0 HA SER A 6 3.020 19.486 -9.130 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.270 18.826 -10.170 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.283 20.385 -9.371 1.00 0.00 H new ATOM 0 HG SER A 6 7.107 19.076 -8.771 1.00 0.00 H new ATOM 61 N GLY A 7 3.530 16.785 -7.526 1.00 0.00 N ATOM 62 CA GLY A 7 3.214 15.355 -7.422 1.00 0.00 C ATOM 63 C GLY A 7 3.151 14.860 -5.971 1.00 0.00 C ATOM 64 O GLY A 7 3.572 15.556 -5.043 1.00 0.00 O ATOM 0 H GLY A 7 3.760 17.203 -6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.257 15.164 -7.907 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.966 14.782 -7.964 1.00 0.00 H new ATOM 68 N GLU A 8 2.614 13.655 -5.770 1.00 0.00 N ATOM 69 CA GLU A 8 2.438 13.018 -4.453 1.00 0.00 C ATOM 70 C GLU A 8 2.536 11.482 -4.550 1.00 0.00 C ATOM 71 O GLU A 8 2.091 10.882 -5.533 1.00 0.00 O ATOM 72 CB GLU A 8 1.086 13.464 -3.862 1.00 0.00 C ATOM 73 CG GLU A 8 0.831 12.943 -2.441 1.00 0.00 C ATOM 74 CD GLU A 8 -0.364 13.667 -1.789 1.00 0.00 C ATOM 75 OE1 GLU A 8 -1.511 13.543 -2.286 1.00 0.00 O ATOM 76 OE2 GLU A 8 -0.167 14.374 -0.769 1.00 0.00 O ATOM 0 H GLU A 8 2.278 13.074 -6.538 1.00 0.00 H new ATOM 0 HA GLU A 8 3.242 13.336 -3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.045 14.553 -3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.283 13.121 -4.515 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.637 11.871 -2.473 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.723 13.087 -1.832 1.00 0.00 H new ATOM 83 N LYS A 9 3.110 10.846 -3.517 1.00 0.00 N ATOM 84 CA LYS A 9 3.232 9.384 -3.357 1.00 0.00 C ATOM 85 C LYS A 9 2.828 8.941 -1.943 1.00 0.00 C ATOM 86 O LYS A 9 2.791 9.749 -1.012 1.00 0.00 O ATOM 87 CB LYS A 9 4.662 8.917 -3.698 1.00 0.00 C ATOM 88 CG LYS A 9 5.001 9.088 -5.187 1.00 0.00 C ATOM 89 CD LYS A 9 6.386 8.515 -5.508 1.00 0.00 C ATOM 90 CE LYS A 9 6.702 8.707 -6.998 1.00 0.00 C ATOM 91 NZ LYS A 9 8.045 8.174 -7.347 1.00 0.00 N ATOM 0 H LYS A 9 3.520 11.357 -2.735 1.00 0.00 H new ATOM 0 HA LYS A 9 2.543 8.911 -4.057 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.377 9.482 -3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 9 4.773 7.868 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.247 8.587 -5.794 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.972 10.145 -5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.143 9.011 -4.901 1.00 0.00 H new ATOM 0 HD3 LYS A 9 6.418 7.455 -5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.944 8.205 -7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 9 6.655 9.767 -7.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.224 8.321 -8.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 8.771 8.671 -6.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.081 7.157 -7.133 1.00 0.00 H new ATOM 105 N PHE A 10 2.532 7.654 -1.800 1.00 0.00 N ATOM 106 CA PHE A 10 1.940 7.025 -0.614 1.00 0.00 C ATOM 107 C PHE A 10 2.795 5.842 -0.132 1.00 0.00 C ATOM 108 O PHE A 10 3.542 5.254 -0.919 1.00 0.00 O ATOM 109 CB PHE A 10 0.500 6.603 -0.953 1.00 0.00 C ATOM 110 CG PHE A 10 -0.384 7.750 -1.416 1.00 0.00 C ATOM 111 CD1 PHE A 10 -0.394 8.131 -2.772 1.00 0.00 C ATOM 112 CD2 PHE A 10 -1.161 8.469 -0.487 1.00 0.00 C ATOM 113 CE1 PHE A 10 -1.167 9.225 -3.199 1.00 0.00 C ATOM 114 CE2 PHE A 10 -1.936 9.563 -0.913 1.00 0.00 C ATOM 115 CZ PHE A 10 -1.941 9.939 -2.268 1.00 0.00 C ATOM 0 H PHE A 10 2.706 6.981 -2.546 1.00 0.00 H new ATOM 0 HA PHE A 10 1.913 7.736 0.212 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.529 5.842 -1.732 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.050 6.142 -0.074 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.196 7.579 -3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.162 8.180 0.554 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -1.166 9.516 -4.239 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.528 10.115 -0.198 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.540 10.777 -2.593 1.00 0.00 H new ATOM 125 N ALA A 11 2.706 5.497 1.156 1.00 0.00 N ATOM 126 CA ALA A 11 3.546 4.483 1.803 1.00 0.00 C ATOM 127 C ALA A 11 2.764 3.585 2.781 1.00 0.00 C ATOM 128 O ALA A 11 1.839 4.043 3.457 1.00 0.00 O ATOM 129 CB ALA A 11 4.705 5.194 2.515 1.00 0.00 C ATOM 0 H ALA A 11 2.033 5.924 1.793 1.00 0.00 H new ATOM 0 HA ALA A 11 3.927 3.813 1.032 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.341 4.455 3.002 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.292 5.753 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.307 5.880 3.263 1.00 0.00 H new ATOM 135 N CYS A 12 3.172 2.315 2.874 1.00 0.00 N ATOM 136 CA CYS A 12 2.620 1.317 3.790 1.00 0.00 C ATOM 137 C CYS A 12 2.943 1.633 5.266 1.00 0.00 C ATOM 138 O CYS A 12 3.981 2.216 5.598 1.00 0.00 O ATOM 139 CB CYS A 12 3.125 -0.051 3.329 1.00 0.00 C ATOM 140 SG CYS A 12 2.409 -1.411 4.305 1.00 0.00 S ATOM 0 H CYS A 12 3.922 1.943 2.292 1.00 0.00 H new ATOM 0 HA CYS A 12 1.531 1.326 3.756 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.879 -0.192 2.277 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.212 -0.081 3.409 1.00 0.00 H new ATOM 145 N ASP A 13 2.034 1.235 6.159 1.00 0.00 N ATOM 146 CA ASP A 13 2.175 1.356 7.616 1.00 0.00 C ATOM 147 C ASP A 13 2.832 0.113 8.259 1.00 0.00 C ATOM 148 O ASP A 13 3.212 0.147 9.433 1.00 0.00 O ATOM 149 CB ASP A 13 0.789 1.645 8.215 1.00 0.00 C ATOM 150 CG ASP A 13 0.859 2.078 9.691 1.00 0.00 C ATOM 151 OD1 ASP A 13 1.495 3.119 9.988 1.00 0.00 O ATOM 152 OD2 ASP A 13 0.236 1.416 10.557 1.00 0.00 O ATOM 0 H ASP A 13 1.151 0.806 5.882 1.00 0.00 H new ATOM 0 HA ASP A 13 2.852 2.182 7.836 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.302 2.428 7.633 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.168 0.753 8.131 1.00 0.00 H new ATOM 157 N TYR A 14 2.986 -0.977 7.495 1.00 0.00 N ATOM 158 CA TYR A 14 3.408 -2.298 7.986 1.00 0.00 C ATOM 159 C TYR A 14 4.727 -2.803 7.366 1.00 0.00 C ATOM 160 O TYR A 14 5.396 -3.645 7.972 1.00 0.00 O ATOM 161 CB TYR A 14 2.281 -3.309 7.719 1.00 0.00 C ATOM 162 CG TYR A 14 0.906 -2.919 8.232 1.00 0.00 C ATOM 163 CD1 TYR A 14 0.539 -3.206 9.562 1.00 0.00 C ATOM 164 CD2 TYR A 14 -0.013 -2.283 7.373 1.00 0.00 C ATOM 165 CE1 TYR A 14 -0.742 -2.855 10.035 1.00 0.00 C ATOM 166 CE2 TYR A 14 -1.293 -1.929 7.841 1.00 0.00 C ATOM 167 CZ TYR A 14 -1.662 -2.214 9.174 1.00 0.00 C ATOM 168 OH TYR A 14 -2.902 -1.870 9.620 1.00 0.00 O ATOM 0 H TYR A 14 2.816 -0.965 6.489 1.00 0.00 H new ATOM 0 HA TYR A 14 3.602 -2.196 9.054 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.213 -3.473 6.644 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.559 -4.262 8.170 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.241 -3.696 10.221 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.266 -2.066 6.352 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.020 -3.076 11.055 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.993 -1.439 7.180 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.402 -1.438 8.896 1.00 0.00 H new ATOM 178 N CYS A 15 5.107 -2.309 6.179 1.00 0.00 N ATOM 179 CA CYS A 15 6.337 -2.668 5.459 1.00 0.00 C ATOM 180 C CYS A 15 6.902 -1.490 4.627 1.00 0.00 C ATOM 181 O CYS A 15 6.375 -0.375 4.657 1.00 0.00 O ATOM 182 CB CYS A 15 6.074 -3.938 4.623 1.00 0.00 C ATOM 183 SG CYS A 15 5.014 -3.614 3.192 1.00 0.00 S ATOM 0 H CYS A 15 4.545 -1.623 5.675 1.00 0.00 H new ATOM 0 HA CYS A 15 7.124 -2.890 6.180 1.00 0.00 H new ATOM 0 HB2 CYS A 15 7.024 -4.349 4.282 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.607 -4.695 5.254 1.00 0.00 H new ATOM 188 N SER A 16 7.992 -1.732 3.891 1.00 0.00 N ATOM 189 CA SER A 16 8.729 -0.717 3.108 1.00 0.00 C ATOM 190 C SER A 16 8.186 -0.480 1.687 1.00 0.00 C ATOM 191 O SER A 16 8.917 -0.065 0.782 1.00 0.00 O ATOM 192 CB SER A 16 10.235 -1.027 3.101 1.00 0.00 C ATOM 193 OG SER A 16 10.732 -1.178 4.425 1.00 0.00 O ATOM 0 H SER A 16 8.402 -2.663 3.817 1.00 0.00 H new ATOM 0 HA SER A 16 8.563 0.230 3.621 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.419 -1.939 2.534 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.773 -0.224 2.597 1.00 0.00 H new ATOM 0 HG SER A 16 11.691 -1.376 4.394 1.00 0.00 H new ATOM 199 N PHE A 17 6.898 -0.745 1.479 1.00 0.00 N ATOM 200 CA PHE A 17 6.185 -0.549 0.208 1.00 0.00 C ATOM 201 C PHE A 17 5.759 0.914 -0.004 1.00 0.00 C ATOM 202 O PHE A 17 5.288 1.578 0.926 1.00 0.00 O ATOM 203 CB PHE A 17 4.977 -1.497 0.161 1.00 0.00 C ATOM 204 CG PHE A 17 4.066 -1.335 -1.042 1.00 0.00 C ATOM 205 CD1 PHE A 17 4.331 -2.041 -2.231 1.00 0.00 C ATOM 206 CD2 PHE A 17 2.935 -0.497 -0.967 1.00 0.00 C ATOM 207 CE1 PHE A 17 3.466 -1.916 -3.334 1.00 0.00 C ATOM 208 CE2 PHE A 17 2.069 -0.376 -2.067 1.00 0.00 C ATOM 209 CZ PHE A 17 2.333 -1.087 -3.251 1.00 0.00 C ATOM 0 H PHE A 17 6.296 -1.116 2.214 1.00 0.00 H new ATOM 0 HA PHE A 17 6.865 -0.785 -0.610 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.342 -2.524 0.183 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.386 -1.349 1.065 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.200 -2.680 -2.297 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.733 0.054 -0.060 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.673 -2.457 -4.245 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.201 0.263 -2.003 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.666 -0.997 -4.096 1.00 0.00 H new ATOM 219 N THR A 18 5.874 1.398 -1.244 1.00 0.00 N ATOM 220 CA THR A 18 5.412 2.725 -1.690 1.00 0.00 C ATOM 221 C THR A 18 4.716 2.658 -3.056 1.00 0.00 C ATOM 222 O THR A 18 5.005 1.778 -3.873 1.00 0.00 O ATOM 223 CB THR A 18 6.551 3.760 -1.746 1.00 0.00 C ATOM 224 OG1 THR A 18 7.587 3.333 -2.610 1.00 0.00 O ATOM 225 CG2 THR A 18 7.178 4.027 -0.377 1.00 0.00 C ATOM 0 H THR A 18 6.306 0.861 -1.996 1.00 0.00 H new ATOM 0 HA THR A 18 4.692 3.052 -0.940 1.00 0.00 H new ATOM 0 HB THR A 18 6.089 4.676 -2.114 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.297 4.009 -2.629 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.974 4.764 -0.479 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.417 4.407 0.304 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.591 3.100 0.021 1.00 0.00 H new ATOM 233 N CYS A 19 3.783 3.582 -3.307 1.00 0.00 N ATOM 234 CA CYS A 19 2.942 3.608 -4.508 1.00 0.00 C ATOM 235 C CYS A 19 2.472 5.023 -4.900 1.00 0.00 C ATOM 236 O CYS A 19 2.524 5.966 -4.108 1.00 0.00 O ATOM 237 CB CYS A 19 1.759 2.644 -4.297 1.00 0.00 C ATOM 238 SG CYS A 19 0.800 3.075 -2.812 1.00 0.00 S ATOM 0 H CYS A 19 3.587 4.351 -2.666 1.00 0.00 H new ATOM 0 HA CYS A 19 3.544 3.277 -5.354 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.108 2.669 -5.171 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.132 1.624 -4.207 1.00 0.00 H new ATOM 0 HG CYS A 19 -0.278 3.712 -3.161 1.00 0.00 H new ATOM 244 N LEU A 20 1.989 5.168 -6.139 1.00 0.00 N ATOM 245 CA LEU A 20 1.573 6.443 -6.747 1.00 0.00 C ATOM 246 C LEU A 20 0.126 6.886 -6.438 1.00 0.00 C ATOM 247 O LEU A 20 -0.290 7.963 -6.865 1.00 0.00 O ATOM 248 CB LEU A 20 1.918 6.437 -8.257 1.00 0.00 C ATOM 249 CG LEU A 20 1.201 5.479 -9.241 1.00 0.00 C ATOM 250 CD1 LEU A 20 1.442 3.992 -8.962 1.00 0.00 C ATOM 251 CD2 LEU A 20 -0.308 5.693 -9.347 1.00 0.00 C ATOM 0 H LEU A 20 1.872 4.375 -6.770 1.00 0.00 H new ATOM 0 HA LEU A 20 2.153 7.227 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.756 7.450 -8.624 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.986 6.236 -8.338 1.00 0.00 H new ATOM 0 HG LEU A 20 1.667 5.748 -10.189 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.904 3.392 -9.696 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.509 3.777 -9.029 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.085 3.747 -7.962 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.728 4.980 -10.057 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.766 5.544 -8.369 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.508 6.708 -9.691 1.00 0.00 H new ATOM 263 N SER A 21 -0.646 6.076 -5.702 1.00 0.00 N ATOM 264 CA SER A 21 -2.052 6.345 -5.357 1.00 0.00 C ATOM 265 C SER A 21 -2.436 5.779 -3.987 1.00 0.00 C ATOM 266 O SER A 21 -1.978 4.702 -3.594 1.00 0.00 O ATOM 267 CB SER A 21 -2.961 5.759 -6.446 1.00 0.00 C ATOM 268 OG SER A 21 -4.330 5.854 -6.082 1.00 0.00 O ATOM 0 H SER A 21 -0.304 5.194 -5.320 1.00 0.00 H new ATOM 0 HA SER A 21 -2.181 7.426 -5.300 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.795 6.288 -7.385 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.700 4.715 -6.618 1.00 0.00 H new ATOM 0 HG SER A 21 -4.885 5.475 -6.795 1.00 0.00 H new ATOM 274 N LYS A 22 -3.351 6.464 -3.288 1.00 0.00 N ATOM 275 CA LYS A 22 -3.992 5.974 -2.056 1.00 0.00 C ATOM 276 C LYS A 22 -4.856 4.731 -2.307 1.00 0.00 C ATOM 277 O LYS A 22 -4.986 3.888 -1.422 1.00 0.00 O ATOM 278 CB LYS A 22 -4.801 7.125 -1.431 1.00 0.00 C ATOM 279 CG LYS A 22 -5.243 6.820 0.009 1.00 0.00 C ATOM 280 CD LYS A 22 -5.946 8.032 0.634 1.00 0.00 C ATOM 281 CE LYS A 22 -6.379 7.707 2.070 1.00 0.00 C ATOM 282 NZ LYS A 22 -7.068 8.860 2.708 1.00 0.00 N ATOM 0 H LYS A 22 -3.674 7.391 -3.566 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.221 5.655 -1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.199 8.034 -1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -5.681 7.321 -2.044 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.916 5.962 0.013 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.375 6.548 0.610 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.276 8.891 0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.816 8.306 0.037 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -7.044 6.843 2.064 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.505 7.432 2.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.347 8.605 3.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.425 9.677 2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.915 9.106 2.158 1.00 0.00 H new ATOM 296 N GLY A 23 -5.383 4.561 -3.524 1.00 0.00 N ATOM 297 CA GLY A 23 -6.083 3.340 -3.946 1.00 0.00 C ATOM 298 C GLY A 23 -5.152 2.125 -4.035 1.00 0.00 C ATOM 299 O GLY A 23 -5.520 1.030 -3.610 1.00 0.00 O ATOM 0 H GLY A 23 -5.336 5.274 -4.252 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.887 3.126 -3.242 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.547 3.509 -4.918 1.00 0.00 H new ATOM 303 N HIS A 24 -3.910 2.323 -4.494 1.00 0.00 N ATOM 304 CA HIS A 24 -2.885 1.271 -4.503 1.00 0.00 C ATOM 305 C HIS A 24 -2.451 0.913 -3.072 1.00 0.00 C ATOM 306 O HIS A 24 -2.308 -0.269 -2.755 1.00 0.00 O ATOM 307 CB HIS A 24 -1.681 1.700 -5.361 1.00 0.00 C ATOM 308 CG HIS A 24 -1.899 1.682 -6.858 1.00 0.00 C ATOM 309 ND1 HIS A 24 -0.985 1.243 -7.792 1.00 0.00 N ATOM 310 CD2 HIS A 24 -2.997 2.117 -7.557 1.00 0.00 C ATOM 311 CE1 HIS A 24 -1.515 1.409 -9.015 1.00 0.00 C ATOM 312 NE2 HIS A 24 -2.746 1.941 -8.924 1.00 0.00 N ATOM 0 H HIS A 24 -3.587 3.215 -4.869 1.00 0.00 H new ATOM 0 HA HIS A 24 -3.316 0.375 -4.949 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -1.391 2.709 -5.067 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.841 1.046 -5.127 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.900 2.525 -7.127 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -1.022 1.151 -9.941 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.372 2.171 -9.696 1.00 0.00 H new ATOM 320 N LEU A 25 -2.329 1.906 -2.178 1.00 0.00 N ATOM 321 CA LEU A 25 -2.069 1.688 -0.748 1.00 0.00 C ATOM 322 C LEU A 25 -3.207 0.901 -0.074 1.00 0.00 C ATOM 323 O LEU A 25 -2.946 -0.058 0.653 1.00 0.00 O ATOM 324 CB LEU A 25 -1.833 3.052 -0.069 1.00 0.00 C ATOM 325 CG LEU A 25 -1.637 2.975 1.457 1.00 0.00 C ATOM 326 CD1 LEU A 25 -0.447 2.099 1.843 1.00 0.00 C ATOM 327 CD2 LEU A 25 -1.407 4.374 2.026 1.00 0.00 C ATOM 0 H LEU A 25 -2.409 2.891 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.174 1.076 -0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.954 3.519 -0.513 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.681 3.702 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.543 2.532 1.870 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.349 2.076 2.928 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.605 1.087 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.463 2.509 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.269 4.310 3.105 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.517 4.810 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.270 5.002 1.807 1.00 0.00 H new ATOM 339 N LYS A 26 -4.467 1.260 -0.351 1.00 0.00 N ATOM 340 CA LYS A 26 -5.657 0.562 0.162 1.00 0.00 C ATOM 341 C LYS A 26 -5.663 -0.912 -0.258 1.00 0.00 C ATOM 342 O LYS A 26 -5.772 -1.783 0.604 1.00 0.00 O ATOM 343 CB LYS A 26 -6.920 1.316 -0.289 1.00 0.00 C ATOM 344 CG LYS A 26 -8.209 0.664 0.233 1.00 0.00 C ATOM 345 CD LYS A 26 -9.449 1.473 -0.176 1.00 0.00 C ATOM 346 CE LYS A 26 -10.750 0.866 0.373 1.00 0.00 C ATOM 347 NZ LYS A 26 -11.087 -0.436 -0.261 1.00 0.00 N ATOM 0 H LYS A 26 -4.694 2.056 -0.947 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.638 0.559 1.252 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.869 2.347 0.062 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.949 1.351 -1.378 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.289 -0.351 -0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -8.165 0.586 1.319 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.348 2.496 0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.505 1.523 -1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.655 0.728 1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.569 1.567 0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.042 -0.727 0.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.055 -0.337 -1.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.400 -1.156 0.039 1.00 0.00 H new ATOM 361 N VAL A 27 -5.463 -1.202 -1.547 1.00 0.00 N ATOM 362 CA VAL A 27 -5.381 -2.587 -2.056 1.00 0.00 C ATOM 363 C VAL A 27 -4.184 -3.332 -1.459 1.00 0.00 C ATOM 364 O VAL A 27 -4.342 -4.482 -1.061 1.00 0.00 O ATOM 365 CB VAL A 27 -5.355 -2.621 -3.599 1.00 0.00 C ATOM 366 CG1 VAL A 27 -5.098 -4.029 -4.159 1.00 0.00 C ATOM 367 CG2 VAL A 27 -6.701 -2.150 -4.165 1.00 0.00 C ATOM 0 H VAL A 27 -5.353 -0.491 -2.270 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.283 -3.107 -1.734 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.540 -1.962 -3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.091 -3.992 -5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.134 -4.392 -3.802 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.887 -4.703 -3.825 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.668 -2.179 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.495 -2.806 -3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.897 -1.130 -3.835 1.00 0.00 H new ATOM 377 N HIS A 28 -3.013 -2.698 -1.321 1.00 0.00 N ATOM 378 CA HIS A 28 -1.847 -3.313 -0.676 1.00 0.00 C ATOM 379 C HIS A 28 -2.156 -3.748 0.767 1.00 0.00 C ATOM 380 O HIS A 28 -1.935 -4.908 1.121 1.00 0.00 O ATOM 381 CB HIS A 28 -0.652 -2.349 -0.737 1.00 0.00 C ATOM 382 CG HIS A 28 0.563 -2.864 -0.010 1.00 0.00 C ATOM 383 ND1 HIS A 28 1.489 -3.754 -0.496 1.00 0.00 N ATOM 384 CD2 HIS A 28 0.940 -2.550 1.268 1.00 0.00 C ATOM 385 CE1 HIS A 28 2.402 -3.983 0.458 1.00 0.00 C ATOM 386 NE2 HIS A 28 2.109 -3.278 1.577 1.00 0.00 N ATOM 0 H HIS A 28 -2.848 -1.748 -1.652 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.588 -4.221 -1.221 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.393 -2.167 -1.780 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -0.945 -1.390 -0.309 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.483 -4.171 -1.427 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.430 -1.863 1.927 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.253 -4.639 0.350 1.00 0.00 H new ATOM 394 N ILE A 29 -2.736 -2.864 1.587 1.00 0.00 N ATOM 395 CA ILE A 29 -3.128 -3.183 2.970 1.00 0.00 C ATOM 396 C ILE A 29 -4.185 -4.300 2.998 1.00 0.00 C ATOM 397 O ILE A 29 -4.031 -5.270 3.739 1.00 0.00 O ATOM 398 CB ILE A 29 -3.577 -1.899 3.711 1.00 0.00 C ATOM 399 CG1 ILE A 29 -2.355 -0.968 3.914 1.00 0.00 C ATOM 400 CG2 ILE A 29 -4.226 -2.230 5.068 1.00 0.00 C ATOM 401 CD1 ILE A 29 -2.705 0.436 4.428 1.00 0.00 C ATOM 0 H ILE A 29 -2.948 -1.905 1.312 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.263 -3.571 3.508 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.327 -1.394 3.102 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.668 -1.438 4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.825 -0.873 2.966 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.529 -1.306 5.561 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.101 -2.861 4.909 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.508 -2.758 5.696 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.792 1.020 4.541 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.366 0.930 3.716 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.207 0.356 5.392 1.00 0.00 H new ATOM 413 N GLU A 30 -5.215 -4.224 2.152 1.00 0.00 N ATOM 414 CA GLU A 30 -6.317 -5.199 2.114 1.00 0.00 C ATOM 415 C GLU A 30 -5.953 -6.571 1.503 1.00 0.00 C ATOM 416 O GLU A 30 -6.735 -7.515 1.645 1.00 0.00 O ATOM 417 CB GLU A 30 -7.522 -4.585 1.379 1.00 0.00 C ATOM 418 CG GLU A 30 -8.211 -3.496 2.217 1.00 0.00 C ATOM 419 CD GLU A 30 -9.495 -2.975 1.545 1.00 0.00 C ATOM 420 OE1 GLU A 30 -9.472 -2.611 0.345 1.00 0.00 O ATOM 421 OE2 GLU A 30 -10.550 -2.889 2.220 1.00 0.00 O ATOM 0 H GLU A 30 -5.312 -3.477 1.465 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.564 -5.412 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.191 -4.159 0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.241 -5.369 1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.454 -3.896 3.201 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.521 -2.667 2.371 1.00 0.00 H new ATOM 428 N ARG A 31 -4.787 -6.715 0.850 1.00 0.00 N ATOM 429 CA ARG A 31 -4.379 -7.933 0.128 1.00 0.00 C ATOM 430 C ARG A 31 -3.151 -8.594 0.751 1.00 0.00 C ATOM 431 O ARG A 31 -3.119 -9.818 0.878 1.00 0.00 O ATOM 432 CB ARG A 31 -4.154 -7.554 -1.348 1.00 0.00 C ATOM 433 CG ARG A 31 -3.948 -8.756 -2.275 1.00 0.00 C ATOM 434 CD ARG A 31 -3.778 -8.269 -3.718 1.00 0.00 C ATOM 435 NE ARG A 31 -3.595 -9.398 -4.652 1.00 0.00 N ATOM 436 CZ ARG A 31 -3.477 -9.323 -5.967 1.00 0.00 C ATOM 437 NH1 ARG A 31 -3.504 -8.185 -6.604 1.00 0.00 N ATOM 438 NH2 ARG A 31 -3.327 -10.404 -6.678 1.00 0.00 N ATOM 0 H ARG A 31 -4.088 -5.973 0.808 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.167 -8.682 0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.011 -6.980 -1.700 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.283 -6.902 -1.416 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.069 -9.321 -1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -4.801 -9.431 -2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.653 -7.689 -4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.918 -7.602 -3.779 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.556 -10.331 -4.241 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.619 -7.314 -6.087 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.410 -8.167 -7.619 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.300 -11.315 -6.221 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.237 -10.339 -7.692 1.00 0.00 H new ATOM 452 N VAL A 32 -2.163 -7.797 1.155 1.00 0.00 N ATOM 453 CA VAL A 32 -0.861 -8.272 1.655 1.00 0.00 C ATOM 454 C VAL A 32 -0.856 -8.423 3.180 1.00 0.00 C ATOM 455 O VAL A 32 -0.332 -9.411 3.699 1.00 0.00 O ATOM 456 CB VAL A 32 0.268 -7.335 1.176 1.00 0.00 C ATOM 457 CG1 VAL A 32 1.650 -7.814 1.633 1.00 0.00 C ATOM 458 CG2 VAL A 32 0.296 -7.240 -0.357 1.00 0.00 C ATOM 0 H VAL A 32 -2.241 -6.780 1.146 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.683 -9.265 1.242 1.00 0.00 H new ATOM 0 HB VAL A 32 0.054 -6.362 1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.412 -7.123 1.272 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.680 -7.851 2.722 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.842 -8.809 1.230 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.101 -6.573 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.463 -8.231 -0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.656 -6.849 -0.715 1.00 0.00 H new ATOM 468 N HIS A 33 -1.470 -7.484 3.904 1.00 0.00 N ATOM 469 CA HIS A 33 -1.489 -7.451 5.372 1.00 0.00 C ATOM 470 C HIS A 33 -2.835 -7.972 5.900 1.00 0.00 C ATOM 471 O HIS A 33 -3.745 -7.209 6.231 1.00 0.00 O ATOM 472 CB HIS A 33 -1.092 -6.046 5.852 1.00 0.00 C ATOM 473 CG HIS A 33 0.287 -5.657 5.371 1.00 0.00 C ATOM 474 ND1 HIS A 33 1.465 -6.302 5.672 1.00 0.00 N ATOM 475 CD2 HIS A 33 0.589 -4.671 4.474 1.00 0.00 C ATOM 476 CE1 HIS A 33 2.457 -5.726 4.977 1.00 0.00 C ATOM 477 NE2 HIS A 33 1.979 -4.702 4.232 1.00 0.00 N ATOM 0 H HIS A 33 -1.979 -6.709 3.479 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.747 -8.129 5.794 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.821 -5.320 5.492 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.120 -6.013 6.941 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.567 -7.087 6.316 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.116 -3.985 4.027 1.00 0.00 H new ATOM 0 HE1 HIS A 33 3.491 -6.036 5.007 1.00 0.00 H new ATOM 485 N LYS A 34 -2.958 -9.304 5.954 1.00 0.00 N ATOM 486 CA LYS A 34 -4.194 -10.078 6.210 1.00 0.00 C ATOM 487 C LYS A 34 -4.666 -10.056 7.682 1.00 0.00 C ATOM 488 O LYS A 34 -4.962 -11.096 8.273 1.00 0.00 O ATOM 489 CB LYS A 34 -4.025 -11.512 5.659 1.00 0.00 C ATOM 490 CG LYS A 34 -3.609 -11.580 4.178 1.00 0.00 C ATOM 491 CD LYS A 34 -3.567 -13.041 3.701 1.00 0.00 C ATOM 492 CE LYS A 34 -2.921 -13.221 2.320 1.00 0.00 C ATOM 493 NZ LYS A 34 -3.692 -12.566 1.232 1.00 0.00 N ATOM 0 H LYS A 34 -2.152 -9.913 5.812 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.004 -9.583 5.674 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.278 -12.032 6.258 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.965 -12.049 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.313 -11.012 3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.630 -11.119 4.047 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.017 -13.636 4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.583 -13.433 3.671 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -1.911 -12.811 2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.829 -14.285 2.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.476 -13.029 0.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.710 -12.649 1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -3.431 -11.561 1.178 1.00 0.00 H new ATOM 507 N LYS A 35 -4.732 -8.862 8.282 1.00 0.00 N ATOM 508 CA LYS A 35 -5.167 -8.601 9.672 1.00 0.00 C ATOM 509 C LYS A 35 -6.698 -8.547 9.843 1.00 0.00 C ATOM 510 O LYS A 35 -7.191 -8.550 10.972 1.00 0.00 O ATOM 511 CB LYS A 35 -4.517 -7.292 10.169 1.00 0.00 C ATOM 512 CG LYS A 35 -2.976 -7.260 10.120 1.00 0.00 C ATOM 513 CD LYS A 35 -2.315 -8.354 10.972 1.00 0.00 C ATOM 514 CE LYS A 35 -0.792 -8.170 10.976 1.00 0.00 C ATOM 515 NZ LYS A 35 -0.118 -9.202 11.809 1.00 0.00 N ATOM 0 H LYS A 35 -4.472 -8.005 7.793 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.835 -9.445 10.277 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.900 -6.466 9.570 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -4.835 -7.115 11.197 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.651 -7.369 9.085 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.629 -6.285 10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.697 -8.312 11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.569 -9.337 10.577 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.416 -8.224 9.954 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.546 -7.178 11.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.910 -9.047 11.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.459 -9.134 12.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.333 -10.147 11.432 1.00 0.00 H new ATOM 529 N ILE A 36 -7.446 -8.500 8.736 1.00 0.00 N ATOM 530 CA ILE A 36 -8.919 -8.496 8.694 1.00 0.00 C ATOM 531 C ILE A 36 -9.528 -9.810 9.230 1.00 0.00 C ATOM 532 O ILE A 36 -8.910 -10.877 9.134 1.00 0.00 O ATOM 533 CB ILE A 36 -9.387 -8.135 7.261 1.00 0.00 C ATOM 534 CG1 ILE A 36 -10.887 -7.772 7.227 1.00 0.00 C ATOM 535 CG2 ILE A 36 -9.049 -9.242 6.243 1.00 0.00 C ATOM 536 CD1 ILE A 36 -11.335 -7.110 5.917 1.00 0.00 C ATOM 0 H ILE A 36 -7.029 -8.462 7.806 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.294 -7.729 9.372 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.829 -7.248 6.961 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.474 -8.677 7.385 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.107 -7.100 8.057 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.396 -8.945 5.253 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -7.970 -9.396 6.218 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.542 -10.169 6.537 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.400 -6.885 5.969 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -10.776 -6.187 5.766 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -11.148 -7.788 5.084 1.00 0.00 H new ATOM 548 N LYS A 37 -10.740 -9.729 9.796 1.00 0.00 N ATOM 549 CA LYS A 37 -11.504 -10.848 10.390 1.00 0.00 C ATOM 550 C LYS A 37 -12.853 -11.098 9.696 1.00 0.00 C ATOM 551 O LYS A 37 -13.275 -12.276 9.641 1.00 0.00 O ATOM 552 CB LYS A 37 -11.640 -10.647 11.914 1.00 0.00 C ATOM 553 CG LYS A 37 -12.477 -9.419 12.318 1.00 0.00 C ATOM 554 CD LYS A 37 -12.558 -9.284 13.846 1.00 0.00 C ATOM 555 CE LYS A 37 -13.344 -8.038 14.287 1.00 0.00 C ATOM 556 NZ LYS A 37 -14.796 -8.137 13.976 1.00 0.00 N ATOM 557 OXT LYS A 37 -13.477 -10.130 9.205 1.00 0.00 O ATOM 0 H LYS A 37 -11.242 -8.843 9.858 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.936 -11.763 10.220 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.092 -11.539 12.348 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.644 -10.552 12.347 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.035 -8.518 11.893 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -13.481 -9.507 11.904 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.031 -10.174 14.261 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.550 -9.238 14.257 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.215 -7.893 15.360 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.930 -7.158 13.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.279 -7.272 14.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.924 -8.248 12.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.201 -8.960 14.467 1.00 0.00 H new TER 571 LYS A 37 HETATM 572 ZN ZN A 101 2.878 -3.290 3.324 1.00 0.00 ZN