USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=11 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+ 180:sc= 0 (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+ 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= -0.013 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 19 CYS SG : rot 84:sc= 1.33 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -146:sc= -0.0168 (180deg=-1) USER MOD Single : A 24 HIS : no HD1:sc= -0.978 K(o=-0.98,f=-2.2!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00398) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.560 -11.779 9.933 1.00 0.00 N ATOM 2 CA GLY A 1 23.860 -12.299 9.551 1.00 0.00 C ATOM 3 C GLY A 1 24.293 -11.826 8.178 1.00 0.00 C ATOM 4 O GLY A 1 24.931 -10.781 8.046 1.00 0.00 O ATOM 0 H1 GLY A 1 22.309 -12.131 10.879 1.00 0.00 H new ATOM 0 H2 GLY A 1 22.593 -10.740 9.948 1.00 0.00 H new ATOM 0 H3 GLY A 1 21.845 -12.093 9.246 1.00 0.00 H new ATOM 0 HA2 GLY A 1 24.602 -11.992 10.288 1.00 0.00 H new ATOM 0 HA3 GLY A 1 23.830 -13.389 9.564 1.00 0.00 H new ATOM 8 N SER A 2 23.947 -12.597 7.152 1.00 0.00 N ATOM 9 CA SER A 2 24.309 -12.254 5.782 1.00 0.00 C ATOM 10 C SER A 2 23.368 -11.192 5.221 1.00 0.00 C ATOM 11 O SER A 2 22.199 -11.121 5.598 1.00 0.00 O ATOM 12 CB SER A 2 24.275 -13.501 4.895 1.00 0.00 C ATOM 13 OG SER A 2 25.243 -14.448 5.311 1.00 0.00 O ATOM 0 H SER A 2 23.416 -13.463 7.244 1.00 0.00 H new ATOM 0 HA SER A 2 25.321 -11.850 5.791 1.00 0.00 H new ATOM 0 HB2 SER A 2 23.283 -13.950 4.932 1.00 0.00 H new ATOM 0 HB3 SER A 2 24.459 -13.219 3.858 1.00 0.00 H new ATOM 0 HG SER A 2 25.200 -15.236 4.730 1.00 0.00 H new ATOM 19 N SER A 3 23.889 -10.367 4.317 1.00 0.00 N ATOM 20 CA SER A 3 23.097 -9.305 3.706 1.00 0.00 C ATOM 21 C SER A 3 21.687 -9.793 3.388 1.00 0.00 C ATOM 22 O SER A 3 20.701 -9.149 3.743 1.00 0.00 O ATOM 23 CB SER A 3 23.776 -8.805 2.430 1.00 0.00 C ATOM 24 OG SER A 3 25.102 -8.379 2.691 1.00 0.00 O ATOM 0 H SER A 3 24.855 -10.414 3.992 1.00 0.00 H new ATOM 0 HA SER A 3 23.026 -8.483 4.418 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.786 -9.600 1.684 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.202 -7.980 2.008 1.00 0.00 H new ATOM 0 HG SER A 3 25.515 -8.066 1.859 1.00 0.00 H new ATOM 30 N GLY A 4 21.601 -10.937 2.716 1.00 0.00 N ATOM 31 CA GLY A 4 20.308 -11.493 2.360 1.00 0.00 C ATOM 32 C GLY A 4 19.483 -10.545 1.513 1.00 0.00 C ATOM 33 O GLY A 4 19.049 -9.495 1.987 1.00 0.00 O ATOM 0 H GLY A 4 22.403 -11.489 2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.454 -12.427 1.817 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.758 -11.736 3.269 1.00 0.00 H new ATOM 37 N SER A 5 19.267 -10.915 0.254 1.00 0.00 N ATOM 38 CA SER A 5 18.493 -10.087 -0.663 1.00 0.00 C ATOM 39 C SER A 5 17.041 -10.552 -0.721 1.00 0.00 C ATOM 40 O SER A 5 16.443 -10.624 -1.795 1.00 0.00 O ATOM 41 CB SER A 5 19.109 -10.127 -2.063 1.00 0.00 C ATOM 42 OG SER A 5 20.079 -9.106 -2.223 1.00 0.00 O ATOM 0 H SER A 5 19.617 -11.782 -0.153 1.00 0.00 H new ATOM 0 HA SER A 5 18.514 -9.062 -0.293 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.569 -11.100 -2.233 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.326 -10.009 -2.812 1.00 0.00 H new ATOM 0 HG SER A 5 20.459 -9.154 -3.125 1.00 0.00 H new ATOM 48 N SER A 6 16.480 -10.866 0.442 1.00 0.00 N ATOM 49 CA SER A 6 15.099 -11.328 0.525 1.00 0.00 C ATOM 50 C SER A 6 14.259 -10.378 1.373 1.00 0.00 C ATOM 51 O SER A 6 14.305 -10.418 2.602 1.00 0.00 O ATOM 52 CB SER A 6 15.046 -12.739 1.115 1.00 0.00 C ATOM 53 OG SER A 6 15.811 -13.645 0.339 1.00 0.00 O ATOM 0 H SER A 6 16.960 -10.809 1.340 1.00 0.00 H new ATOM 0 HA SER A 6 14.687 -11.348 -0.484 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.423 -12.723 2.138 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.011 -13.079 1.161 1.00 0.00 H new ATOM 0 HG SER A 6 15.762 -14.539 0.738 1.00 0.00 H new ATOM 59 N GLY A 7 13.490 -9.522 0.706 1.00 0.00 N ATOM 60 CA GLY A 7 12.649 -8.574 1.413 1.00 0.00 C ATOM 61 C GLY A 7 13.418 -7.352 1.876 1.00 0.00 C ATOM 62 O GLY A 7 13.988 -7.347 2.967 1.00 0.00 O ATOM 0 H GLY A 7 13.435 -9.468 -0.311 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.833 -8.261 0.762 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.199 -9.065 2.276 1.00 0.00 H new ATOM 66 N GLU A 8 13.433 -6.314 1.046 1.00 0.00 N ATOM 67 CA GLU A 8 14.140 -5.082 1.376 1.00 0.00 C ATOM 68 C GLU A 8 13.236 -3.868 1.183 1.00 0.00 C ATOM 69 O GLU A 8 13.658 -2.845 0.642 1.00 0.00 O ATOM 70 CB GLU A 8 15.395 -4.940 0.513 1.00 0.00 C ATOM 71 CG GLU A 8 16.563 -5.786 0.993 1.00 0.00 C ATOM 72 CD GLU A 8 17.266 -5.182 2.193 1.00 0.00 C ATOM 73 OE1 GLU A 8 16.631 -4.381 2.910 1.00 0.00 O ATOM 74 OE2 GLU A 8 18.450 -5.510 2.415 1.00 0.00 O ATOM 0 H GLU A 8 12.964 -6.302 0.140 1.00 0.00 H new ATOM 0 HA GLU A 8 14.434 -5.132 2.425 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.154 -5.218 -0.513 1.00 0.00 H new ATOM 0 HB3 GLU A 8 15.698 -3.893 0.497 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.204 -6.782 1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 8 17.279 -5.906 0.180 1.00 0.00 H new ATOM 81 N LYS A 9 11.990 -3.988 1.628 1.00 0.00 N ATOM 82 CA LYS A 9 11.025 -2.902 1.505 1.00 0.00 C ATOM 83 C LYS A 9 9.722 -3.250 2.217 1.00 0.00 C ATOM 84 O LYS A 9 9.298 -4.406 2.229 1.00 0.00 O ATOM 85 CB LYS A 9 10.749 -2.601 0.030 1.00 0.00 C ATOM 86 CG LYS A 9 10.002 -3.712 -0.687 1.00 0.00 C ATOM 87 CD LYS A 9 10.957 -4.749 -1.255 1.00 0.00 C ATOM 88 CE LYS A 9 11.426 -4.370 -2.651 1.00 0.00 C ATOM 89 NZ LYS A 9 11.875 -5.558 -3.428 1.00 0.00 N ATOM 0 H LYS A 9 11.624 -4.827 2.078 1.00 0.00 H new ATOM 0 HA LYS A 9 11.451 -2.016 1.976 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.171 -1.680 -0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.696 -2.423 -0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 9 9.311 -4.193 0.005 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.403 -3.288 -1.493 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.819 -4.851 -0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.464 -5.720 -1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 9 10.615 -3.873 -3.184 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.245 -3.654 -2.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 12.187 -5.257 -4.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.666 -6.018 -2.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.087 -6.230 -3.521 1.00 0.00 H new ATOM 103 N PHE A 10 9.088 -2.242 2.808 1.00 0.00 N ATOM 104 CA PHE A 10 7.832 -2.441 3.521 1.00 0.00 C ATOM 105 C PHE A 10 6.649 -1.965 2.683 1.00 0.00 C ATOM 106 O PHE A 10 6.418 -0.764 2.543 1.00 0.00 O ATOM 107 CB PHE A 10 7.857 -1.698 4.858 1.00 0.00 C ATOM 108 CG PHE A 10 8.452 -0.322 4.768 1.00 0.00 C ATOM 109 CD1 PHE A 10 7.659 0.773 4.463 1.00 0.00 C ATOM 110 CD2 PHE A 10 9.806 -0.123 4.989 1.00 0.00 C ATOM 111 CE1 PHE A 10 8.205 2.039 4.379 1.00 0.00 C ATOM 112 CE2 PHE A 10 10.357 1.142 4.906 1.00 0.00 C ATOM 113 CZ PHE A 10 9.555 2.225 4.602 1.00 0.00 C ATOM 0 H PHE A 10 9.424 -1.279 2.807 1.00 0.00 H new ATOM 0 HA PHE A 10 7.715 -3.508 3.709 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.839 -1.621 5.241 1.00 0.00 H new ATOM 0 HB3 PHE A 10 8.425 -2.284 5.580 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.602 0.635 4.289 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.437 -0.966 5.229 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.576 2.883 4.139 1.00 0.00 H new ATOM 0 HE2 PHE A 10 11.414 1.284 5.079 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.983 3.215 4.539 1.00 0.00 H new ATOM 123 N ALA A 11 5.905 -2.915 2.128 1.00 0.00 N ATOM 124 CA ALA A 11 4.745 -2.594 1.305 1.00 0.00 C ATOM 125 C ALA A 11 3.452 -3.035 1.982 1.00 0.00 C ATOM 126 O ALA A 11 3.451 -3.950 2.806 1.00 0.00 O ATOM 127 CB ALA A 11 4.874 -3.244 -0.065 1.00 0.00 C ATOM 0 H ALA A 11 6.084 -3.914 2.233 1.00 0.00 H new ATOM 0 HA ALA A 11 4.708 -1.512 1.180 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.001 -2.996 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.773 -2.876 -0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.940 -4.326 0.050 1.00 0.00 H new ATOM 133 N CYS A 12 2.352 -2.377 1.631 1.00 0.00 N ATOM 134 CA CYS A 12 1.052 -2.700 2.206 1.00 0.00 C ATOM 135 C CYS A 12 0.809 -4.207 2.191 1.00 0.00 C ATOM 136 O CYS A 12 1.071 -4.878 1.193 1.00 0.00 O ATOM 137 CB CYS A 12 -0.061 -1.986 1.435 1.00 0.00 C ATOM 138 SG CYS A 12 -1.742 -2.393 2.009 1.00 0.00 S ATOM 0 H CYS A 12 2.335 -1.617 0.951 1.00 0.00 H new ATOM 0 HA CYS A 12 1.046 -2.359 3.241 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.088 -0.909 1.516 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.022 -2.241 0.378 1.00 0.00 H new ATOM 143 N ASP A 13 0.308 -4.730 3.305 1.00 0.00 N ATOM 144 CA ASP A 13 0.029 -6.157 3.420 1.00 0.00 C ATOM 145 C ASP A 13 -1.243 -6.525 2.663 1.00 0.00 C ATOM 146 O ASP A 13 -1.233 -7.407 1.804 1.00 0.00 O ATOM 147 CB ASP A 13 -0.105 -6.554 4.891 1.00 0.00 C ATOM 148 CG ASP A 13 -1.259 -5.851 5.578 1.00 0.00 C ATOM 149 OD1 ASP A 13 -1.074 -4.697 6.018 1.00 0.00 O ATOM 150 OD2 ASP A 13 -2.348 -6.455 5.676 1.00 0.00 O ATOM 0 H ASP A 13 0.087 -4.188 4.140 1.00 0.00 H new ATOM 0 HA ASP A 13 0.863 -6.702 2.978 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -0.247 -7.632 4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.822 -6.319 5.413 1.00 0.00 H new ATOM 155 N TYR A 14 -2.337 -5.844 2.988 1.00 0.00 N ATOM 156 CA TYR A 14 -3.618 -6.102 2.342 1.00 0.00 C ATOM 157 C TYR A 14 -3.444 -6.269 0.835 1.00 0.00 C ATOM 158 O TYR A 14 -3.737 -7.327 0.278 1.00 0.00 O ATOM 159 CB TYR A 14 -4.597 -4.962 2.630 1.00 0.00 C ATOM 160 CG TYR A 14 -5.009 -4.871 4.082 1.00 0.00 C ATOM 161 CD1 TYR A 14 -4.201 -4.236 5.016 1.00 0.00 C ATOM 162 CD2 TYR A 14 -6.207 -5.422 4.520 1.00 0.00 C ATOM 163 CE1 TYR A 14 -4.573 -4.151 6.343 1.00 0.00 C ATOM 164 CE2 TYR A 14 -6.589 -5.341 5.845 1.00 0.00 C ATOM 165 CZ TYR A 14 -5.768 -4.704 6.753 1.00 0.00 C ATOM 166 OH TYR A 14 -6.144 -4.622 8.074 1.00 0.00 O ATOM 0 H TYR A 14 -2.362 -5.109 3.695 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.021 -7.030 2.748 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.141 -4.018 2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.488 -5.095 2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.265 -3.801 4.699 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.851 -5.922 3.812 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.932 -3.654 7.056 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -7.524 -5.773 6.168 1.00 0.00 H new ATOM 0 HH TYR A 14 -7.012 -5.060 8.195 1.00 0.00 H new ATOM 176 N CYS A 15 -2.964 -5.216 0.182 1.00 0.00 N ATOM 177 CA CYS A 15 -2.749 -5.243 -1.260 1.00 0.00 C ATOM 178 C CYS A 15 -1.259 -5.215 -1.589 1.00 0.00 C ATOM 179 O CYS A 15 -0.416 -5.189 -0.693 1.00 0.00 O ATOM 180 CB CYS A 15 -3.452 -4.057 -1.924 1.00 0.00 C ATOM 181 SG CYS A 15 -2.768 -2.434 -1.461 1.00 0.00 S ATOM 0 H CYS A 15 -2.716 -4.333 0.629 1.00 0.00 H new ATOM 0 HA CYS A 15 -3.171 -6.170 -1.648 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -3.389 -4.171 -3.006 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -4.510 -4.082 -1.662 1.00 0.00 H new ATOM 186 N SER A 16 -0.944 -5.219 -2.880 1.00 0.00 N ATOM 187 CA SER A 16 0.444 -5.197 -3.328 1.00 0.00 C ATOM 188 C SER A 16 0.815 -3.823 -3.879 1.00 0.00 C ATOM 189 O SER A 16 1.461 -3.713 -4.921 1.00 0.00 O ATOM 190 CB SER A 16 0.673 -6.267 -4.398 1.00 0.00 C ATOM 191 OG SER A 16 0.002 -5.937 -5.602 1.00 0.00 O ATOM 0 H SER A 16 -1.631 -5.237 -3.634 1.00 0.00 H new ATOM 0 HA SER A 16 1.081 -5.409 -2.469 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.741 -6.371 -4.590 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.319 -7.232 -4.034 1.00 0.00 H new ATOM 0 HG SER A 16 0.166 -6.635 -6.270 1.00 0.00 H new ATOM 197 N PHE A 17 0.402 -2.778 -3.170 1.00 0.00 N ATOM 198 CA PHE A 17 0.689 -1.410 -3.587 1.00 0.00 C ATOM 199 C PHE A 17 1.808 -0.808 -2.741 1.00 0.00 C ATOM 200 O PHE A 17 1.931 -1.102 -1.552 1.00 0.00 O ATOM 201 CB PHE A 17 -0.569 -0.546 -3.479 1.00 0.00 C ATOM 202 CG PHE A 17 -0.285 0.929 -3.479 1.00 0.00 C ATOM 203 CD1 PHE A 17 0.199 1.554 -4.617 1.00 0.00 C ATOM 204 CD2 PHE A 17 -0.503 1.690 -2.342 1.00 0.00 C ATOM 205 CE1 PHE A 17 0.461 2.911 -4.620 1.00 0.00 C ATOM 206 CE2 PHE A 17 -0.242 3.047 -2.339 1.00 0.00 C ATOM 207 CZ PHE A 17 0.239 3.659 -3.480 1.00 0.00 C ATOM 0 H PHE A 17 -0.132 -2.852 -2.304 1.00 0.00 H new ATOM 0 HA PHE A 17 1.015 -1.434 -4.627 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.233 -0.780 -4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.101 -0.806 -2.564 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.373 0.974 -5.511 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -0.881 1.217 -1.448 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.839 3.386 -5.513 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.414 3.628 -1.445 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.441 4.720 -3.481 1.00 0.00 H new ATOM 217 N THR A 18 2.623 0.037 -3.365 1.00 0.00 N ATOM 218 CA THR A 18 3.732 0.680 -2.672 1.00 0.00 C ATOM 219 C THR A 18 4.085 2.015 -3.319 1.00 0.00 C ATOM 220 O THR A 18 3.618 2.327 -4.415 1.00 0.00 O ATOM 221 CB THR A 18 4.984 -0.218 -2.660 1.00 0.00 C ATOM 222 OG1 THR A 18 5.997 0.364 -1.832 1.00 0.00 O ATOM 223 CG2 THR A 18 5.523 -0.413 -4.069 1.00 0.00 C ATOM 0 H THR A 18 2.536 0.292 -4.349 1.00 0.00 H new ATOM 0 HA THR A 18 3.406 0.851 -1.646 1.00 0.00 H new ATOM 0 HB THR A 18 4.702 -1.191 -2.258 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.789 -0.214 -1.829 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.407 -1.050 -4.036 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.760 -0.883 -4.689 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.789 0.555 -4.494 1.00 0.00 H new ATOM 231 N CYS A 19 4.912 2.798 -2.635 1.00 0.00 N ATOM 232 CA CYS A 19 5.327 4.100 -3.143 1.00 0.00 C ATOM 233 C CYS A 19 6.622 4.556 -2.477 1.00 0.00 C ATOM 234 O CYS A 19 7.127 3.902 -1.564 1.00 0.00 O ATOM 235 CB CYS A 19 4.227 5.137 -2.910 1.00 0.00 C ATOM 236 SG CYS A 19 3.041 5.272 -4.268 1.00 0.00 S ATOM 0 H CYS A 19 5.308 2.554 -1.727 1.00 0.00 H new ATOM 0 HA CYS A 19 5.504 4.004 -4.214 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.690 4.882 -1.996 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.689 6.111 -2.747 1.00 0.00 H new ATOM 0 HG CYS A 19 2.129 4.354 -4.140 1.00 0.00 H new ATOM 242 N LEU A 20 7.155 5.681 -2.941 1.00 0.00 N ATOM 243 CA LEU A 20 8.392 6.225 -2.392 1.00 0.00 C ATOM 244 C LEU A 20 8.100 7.242 -1.293 1.00 0.00 C ATOM 245 O LEU A 20 8.728 8.298 -1.228 1.00 0.00 O ATOM 246 CB LEU A 20 9.222 6.877 -3.499 1.00 0.00 C ATOM 247 CG LEU A 20 8.637 8.149 -4.115 1.00 0.00 C ATOM 248 CD1 LEU A 20 9.748 9.066 -4.602 1.00 0.00 C ATOM 249 CD2 LEU A 20 7.690 7.803 -5.255 1.00 0.00 C ATOM 0 H LEU A 20 6.750 6.234 -3.696 1.00 0.00 H new ATOM 0 HA LEU A 20 8.960 5.402 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.207 7.112 -3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.369 6.146 -4.294 1.00 0.00 H new ATOM 0 HG LEU A 20 8.071 8.675 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.313 9.966 -5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.387 9.341 -3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.342 8.549 -5.356 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.283 8.720 -5.681 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.233 7.254 -6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 20 6.875 7.186 -4.876 1.00 0.00 H new ATOM 261 N SER A 21 7.143 6.915 -0.431 1.00 0.00 N ATOM 262 CA SER A 21 6.766 7.800 0.665 1.00 0.00 C ATOM 263 C SER A 21 6.126 7.013 1.804 1.00 0.00 C ATOM 264 O SER A 21 5.008 6.513 1.679 1.00 0.00 O ATOM 265 CB SER A 21 5.800 8.877 0.168 1.00 0.00 C ATOM 266 OG SER A 21 5.909 10.058 0.944 1.00 0.00 O ATOM 0 H SER A 21 6.614 6.044 -0.470 1.00 0.00 H new ATOM 0 HA SER A 21 7.670 8.278 1.041 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.010 9.104 -0.877 1.00 0.00 H new ATOM 0 HB3 SER A 21 4.778 8.502 0.213 1.00 0.00 H new ATOM 0 HG SER A 21 5.283 10.731 0.605 1.00 0.00 H new ATOM 272 N LYS A 22 6.844 6.907 2.918 1.00 0.00 N ATOM 273 CA LYS A 22 6.348 6.182 4.082 1.00 0.00 C ATOM 274 C LYS A 22 5.040 6.786 4.582 1.00 0.00 C ATOM 275 O LYS A 22 4.050 6.080 4.767 1.00 0.00 O ATOM 276 CB LYS A 22 7.392 6.200 5.201 1.00 0.00 C ATOM 277 CG LYS A 22 6.878 5.650 6.520 1.00 0.00 C ATOM 278 CD LYS A 22 8.018 5.207 7.422 1.00 0.00 C ATOM 279 CE LYS A 22 8.622 6.382 8.175 1.00 0.00 C ATOM 280 NZ LYS A 22 9.601 7.132 7.339 1.00 0.00 N ATOM 0 H LYS A 22 7.771 7.314 3.039 1.00 0.00 H new ATOM 0 HA LYS A 22 6.160 5.150 3.785 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.259 5.618 4.887 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.733 7.224 5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.287 6.412 7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.215 4.806 6.330 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.653 4.466 8.134 1.00 0.00 H new ATOM 0 HD3 LYS A 22 8.789 4.722 6.824 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.827 7.055 8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.116 6.020 9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.366 7.495 7.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.000 6.497 6.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.121 7.928 6.872 1.00 0.00 H new ATOM 294 N GLY A 23 5.044 8.098 4.800 1.00 0.00 N ATOM 295 CA GLY A 23 3.852 8.775 5.276 1.00 0.00 C ATOM 296 C GLY A 23 2.630 8.453 4.438 1.00 0.00 C ATOM 297 O GLY A 23 1.564 8.145 4.974 1.00 0.00 O ATOM 0 H GLY A 23 5.852 8.704 4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.665 8.490 6.311 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.021 9.852 5.268 1.00 0.00 H new ATOM 301 N HIS A 24 2.781 8.526 3.120 1.00 0.00 N ATOM 302 CA HIS A 24 1.680 8.242 2.207 1.00 0.00 C ATOM 303 C HIS A 24 1.011 6.917 2.559 1.00 0.00 C ATOM 304 O HIS A 24 -0.217 6.818 2.589 1.00 0.00 O ATOM 305 CB HIS A 24 2.184 8.204 0.763 1.00 0.00 C ATOM 306 CG HIS A 24 1.136 7.796 -0.226 1.00 0.00 C ATOM 307 ND1 HIS A 24 0.627 6.516 -0.298 1.00 0.00 N ATOM 308 CD2 HIS A 24 0.501 8.506 -1.187 1.00 0.00 C ATOM 309 CE1 HIS A 24 -0.276 6.457 -1.261 1.00 0.00 C ATOM 310 NE2 HIS A 24 -0.371 7.652 -1.816 1.00 0.00 N ATOM 0 H HIS A 24 3.655 8.780 2.660 1.00 0.00 H new ATOM 0 HA HIS A 24 0.943 9.039 2.306 1.00 0.00 H new ATOM 0 HB2 HIS A 24 2.563 9.190 0.493 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.023 7.511 0.698 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.652 9.550 -1.417 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.840 5.581 -1.546 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -0.991 7.900 -2.587 1.00 0.00 H new ATOM 318 N LEU A 25 1.824 5.901 2.825 1.00 0.00 N ATOM 319 CA LEU A 25 1.310 4.581 3.175 1.00 0.00 C ATOM 320 C LEU A 25 0.290 4.676 4.304 1.00 0.00 C ATOM 321 O LEU A 25 -0.740 4.001 4.283 1.00 0.00 O ATOM 322 CB LEU A 25 2.459 3.658 3.586 1.00 0.00 C ATOM 323 CG LEU A 25 2.055 2.295 4.151 1.00 0.00 C ATOM 324 CD1 LEU A 25 1.372 1.456 3.082 1.00 0.00 C ATOM 325 CD2 LEU A 25 3.270 1.567 4.707 1.00 0.00 C ATOM 0 H LEU A 25 2.842 5.965 2.805 1.00 0.00 H new ATOM 0 HA LEU A 25 0.815 4.166 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.096 3.494 2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.064 4.174 4.332 1.00 0.00 H new ATOM 0 HG LEU A 25 1.348 2.455 4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.092 0.490 3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.479 1.972 2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.056 1.304 2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.964 0.599 5.105 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.000 1.418 3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.717 2.162 5.504 1.00 0.00 H new ATOM 337 N LYS A 26 0.581 5.520 5.288 1.00 0.00 N ATOM 338 CA LYS A 26 -0.313 5.707 6.426 1.00 0.00 C ATOM 339 C LYS A 26 -1.725 6.046 5.958 1.00 0.00 C ATOM 340 O LYS A 26 -2.698 5.432 6.395 1.00 0.00 O ATOM 341 CB LYS A 26 0.215 6.817 7.337 1.00 0.00 C ATOM 342 CG LYS A 26 -0.308 6.734 8.761 1.00 0.00 C ATOM 343 CD LYS A 26 0.105 7.947 9.578 1.00 0.00 C ATOM 344 CE LYS A 26 0.016 7.670 11.071 1.00 0.00 C ATOM 345 NZ LYS A 26 0.026 8.927 11.870 1.00 0.00 N ATOM 0 H LYS A 26 1.429 6.086 5.321 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.350 4.773 6.986 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.304 6.773 7.355 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.058 7.784 6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.395 6.657 8.746 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.069 5.828 9.236 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.125 8.231 9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.535 8.792 9.325 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.896 7.112 11.283 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.853 7.040 11.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.036 8.696 12.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.908 9.447 11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.787 9.517 11.599 1.00 0.00 H new ATOM 359 N VAL A 27 -1.829 7.027 5.067 1.00 0.00 N ATOM 360 CA VAL A 27 -3.121 7.446 4.538 1.00 0.00 C ATOM 361 C VAL A 27 -3.727 6.366 3.649 1.00 0.00 C ATOM 362 O VAL A 27 -4.946 6.194 3.605 1.00 0.00 O ATOM 363 CB VAL A 27 -3.001 8.752 3.732 1.00 0.00 C ATOM 364 CG1 VAL A 27 -4.352 9.152 3.158 1.00 0.00 C ATOM 365 CG2 VAL A 27 -2.432 9.864 4.600 1.00 0.00 C ATOM 0 H VAL A 27 -1.033 7.547 4.696 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.774 7.616 5.394 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.315 8.583 2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.247 10.077 2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.716 8.363 2.500 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.062 9.303 3.971 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.354 10.780 4.014 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.090 10.034 5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.443 9.577 4.957 1.00 0.00 H new ATOM 375 N HIS A 28 -2.868 5.639 2.941 1.00 0.00 N ATOM 376 CA HIS A 28 -3.319 4.574 2.052 1.00 0.00 C ATOM 377 C HIS A 28 -4.210 3.585 2.798 1.00 0.00 C ATOM 378 O HIS A 28 -5.417 3.526 2.566 1.00 0.00 O ATOM 379 CB HIS A 28 -2.119 3.843 1.448 1.00 0.00 C ATOM 380 CG HIS A 28 -2.488 2.589 0.717 1.00 0.00 C ATOM 381 ND1 HIS A 28 -3.066 2.590 -0.535 1.00 0.00 N ATOM 382 CD2 HIS A 28 -2.356 1.289 1.068 1.00 0.00 C ATOM 383 CE1 HIS A 28 -3.276 1.345 -0.922 1.00 0.00 C ATOM 384 NE2 HIS A 28 -2.853 0.535 0.032 1.00 0.00 N ATOM 0 H HIS A 28 -1.856 5.768 2.966 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.901 5.026 1.249 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.602 4.515 0.763 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.416 3.597 2.244 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -3.296 3.423 -1.078 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -1.938 0.914 1.990 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -3.718 1.041 -1.859 1.00 0.00 H new ATOM 392 N ILE A 29 -3.605 2.810 3.692 1.00 0.00 N ATOM 393 CA ILE A 29 -4.344 1.824 4.471 1.00 0.00 C ATOM 394 C ILE A 29 -5.425 2.489 5.316 1.00 0.00 C ATOM 395 O ILE A 29 -6.458 1.887 5.605 1.00 0.00 O ATOM 396 CB ILE A 29 -3.409 1.020 5.394 1.00 0.00 C ATOM 397 CG1 ILE A 29 -2.252 0.424 4.590 1.00 0.00 C ATOM 398 CG2 ILE A 29 -4.184 -0.076 6.109 1.00 0.00 C ATOM 399 CD1 ILE A 29 -1.151 -0.154 5.452 1.00 0.00 C ATOM 0 H ILE A 29 -2.606 2.846 3.895 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.810 1.144 3.758 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.996 1.694 6.144 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.639 -0.358 3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.831 1.197 3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.509 -0.635 6.757 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.976 0.371 6.709 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.622 -0.751 5.374 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.365 -0.559 4.815 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.737 0.629 6.087 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.557 -0.950 6.076 1.00 0.00 H new ATOM 411 N GLU A 30 -5.179 3.736 5.708 1.00 0.00 N ATOM 412 CA GLU A 30 -6.133 4.483 6.519 1.00 0.00 C ATOM 413 C GLU A 30 -7.416 4.754 5.738 1.00 0.00 C ATOM 414 O GLU A 30 -8.438 5.128 6.314 1.00 0.00 O ATOM 415 CB GLU A 30 -5.517 5.804 6.984 1.00 0.00 C ATOM 416 CG GLU A 30 -4.790 5.701 8.314 1.00 0.00 C ATOM 417 CD GLU A 30 -5.658 5.115 9.410 1.00 0.00 C ATOM 418 OE1 GLU A 30 -6.522 5.848 9.937 1.00 0.00 O ATOM 419 OE2 GLU A 30 -5.474 3.926 9.742 1.00 0.00 O ATOM 0 H GLU A 30 -4.328 4.249 5.477 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.380 3.879 7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.819 6.157 6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.304 6.553 7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.901 5.083 8.191 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.450 6.692 8.616 1.00 0.00 H new ATOM 426 N ARG A 31 -7.354 4.564 4.425 1.00 0.00 N ATOM 427 CA ARG A 31 -8.509 4.790 3.564 1.00 0.00 C ATOM 428 C ARG A 31 -8.729 3.606 2.628 1.00 0.00 C ATOM 429 O ARG A 31 -9.755 2.928 2.698 1.00 0.00 O ATOM 430 CB ARG A 31 -8.321 6.071 2.748 1.00 0.00 C ATOM 431 CG ARG A 31 -8.112 7.311 3.601 1.00 0.00 C ATOM 432 CD ARG A 31 -7.855 8.540 2.744 1.00 0.00 C ATOM 433 NE ARG A 31 -9.064 8.996 2.063 1.00 0.00 N ATOM 434 CZ ARG A 31 -9.483 8.504 0.902 1.00 0.00 C ATOM 435 NH1 ARG A 31 -8.795 7.546 0.297 1.00 0.00 N ATOM 436 NH2 ARG A 31 -10.594 8.969 0.345 1.00 0.00 N ATOM 0 H ARG A 31 -6.516 4.254 3.933 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.388 4.898 4.199 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.464 5.947 2.086 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -9.195 6.220 2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.991 7.478 4.224 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.269 7.153 4.274 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.467 9.343 3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.087 8.312 2.005 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.617 9.732 2.503 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -7.941 7.185 0.723 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.119 7.170 -0.594 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.127 9.705 0.808 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.915 8.591 -0.546 1.00 0.00 H new ATOM 450 N VAL A 32 -7.760 3.363 1.751 1.00 0.00 N ATOM 451 CA VAL A 32 -7.848 2.260 0.801 1.00 0.00 C ATOM 452 C VAL A 32 -8.400 1.004 1.466 1.00 0.00 C ATOM 453 O VAL A 32 -8.950 0.126 0.801 1.00 0.00 O ATOM 454 CB VAL A 32 -6.473 1.940 0.185 1.00 0.00 C ATOM 455 CG1 VAL A 32 -5.594 1.212 1.190 1.00 0.00 C ATOM 456 CG2 VAL A 32 -6.638 1.118 -1.085 1.00 0.00 C ATOM 0 H VAL A 32 -6.905 3.915 1.679 1.00 0.00 H new ATOM 0 HA VAL A 32 -8.528 2.577 0.010 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.984 2.878 -0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.627 0.994 0.737 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -5.450 1.840 2.069 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.075 0.279 1.485 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.657 0.901 -1.508 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.147 0.183 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.228 1.681 -1.808 1.00 0.00 H new ATOM 466 N HIS A 33 -8.249 0.924 2.785 1.00 0.00 N ATOM 467 CA HIS A 33 -8.733 -0.225 3.541 1.00 0.00 C ATOM 468 C HIS A 33 -9.515 0.225 4.772 1.00 0.00 C ATOM 469 O HIS A 33 -8.986 0.246 5.884 1.00 0.00 O ATOM 470 CB HIS A 33 -7.563 -1.114 3.963 1.00 0.00 C ATOM 471 CG HIS A 33 -6.664 -1.499 2.829 1.00 0.00 C ATOM 472 ND1 HIS A 33 -7.136 -1.891 1.594 1.00 0.00 N ATOM 473 CD2 HIS A 33 -5.314 -1.548 2.747 1.00 0.00 C ATOM 474 CE1 HIS A 33 -6.115 -2.167 0.803 1.00 0.00 C ATOM 475 NE2 HIS A 33 -4.998 -1.966 1.478 1.00 0.00 N ATOM 0 H HIS A 33 -7.796 1.641 3.351 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.401 -0.797 2.897 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.977 -0.593 4.720 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.954 -2.018 4.429 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -8.120 -1.957 1.332 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.615 -1.304 3.533 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.182 -2.501 -0.222 1.00 0.00 H new ATOM 483 N LYS A 34 -10.777 0.587 4.566 1.00 0.00 N ATOM 484 CA LYS A 34 -11.633 1.036 5.657 1.00 0.00 C ATOM 485 C LYS A 34 -12.937 0.246 5.687 1.00 0.00 C ATOM 486 O LYS A 34 -13.653 0.172 4.688 1.00 0.00 O ATOM 487 CB LYS A 34 -11.932 2.530 5.516 1.00 0.00 C ATOM 488 CG LYS A 34 -12.588 2.897 4.196 1.00 0.00 C ATOM 489 CD LYS A 34 -12.797 4.397 4.075 1.00 0.00 C ATOM 490 CE LYS A 34 -13.064 4.808 2.635 1.00 0.00 C ATOM 491 NZ LYS A 34 -14.428 4.413 2.188 1.00 0.00 N ATOM 0 H LYS A 34 -11.230 0.578 3.652 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.104 0.864 6.594 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.582 2.841 6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.002 3.089 5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.968 2.548 3.371 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.548 2.387 4.111 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.635 4.700 4.702 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.915 4.919 4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.949 5.888 2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.321 4.349 1.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.570 4.711 1.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.530 3.380 2.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.138 4.871 2.794 1.00 0.00 H new ATOM 505 N LYS A 35 -13.242 -0.341 6.839 1.00 0.00 N ATOM 506 CA LYS A 35 -14.462 -1.123 7.000 1.00 0.00 C ATOM 507 C LYS A 35 -15.568 -0.283 7.630 1.00 0.00 C ATOM 508 O LYS A 35 -16.347 -0.777 8.445 1.00 0.00 O ATOM 509 CB LYS A 35 -14.190 -2.358 7.864 1.00 0.00 C ATOM 510 CG LYS A 35 -13.616 -2.029 9.231 1.00 0.00 C ATOM 511 CD LYS A 35 -13.428 -3.280 10.072 1.00 0.00 C ATOM 512 CE LYS A 35 -14.725 -3.696 10.749 1.00 0.00 C ATOM 513 NZ LYS A 35 -14.881 -3.061 12.087 1.00 0.00 N ATOM 0 H LYS A 35 -12.661 -0.290 7.676 1.00 0.00 H new ATOM 0 HA LYS A 35 -14.792 -1.443 6.012 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -15.119 -2.913 7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.498 -3.015 7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.658 -1.522 9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -14.281 -1.338 9.749 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -13.068 -4.093 9.441 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.663 -3.100 10.828 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.569 -3.422 10.116 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.747 -4.780 10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.777 -3.370 12.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.089 -3.343 12.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.886 -2.026 11.982 1.00 0.00 H new ATOM 527 N ILE A 36 -15.630 0.988 7.246 1.00 0.00 N ATOM 528 CA ILE A 36 -16.643 1.895 7.771 1.00 0.00 C ATOM 529 C ILE A 36 -17.573 2.381 6.665 1.00 0.00 C ATOM 530 O ILE A 36 -17.247 3.312 5.928 1.00 0.00 O ATOM 531 CB ILE A 36 -16.003 3.114 8.461 1.00 0.00 C ATOM 532 CG1 ILE A 36 -15.090 2.661 9.602 1.00 0.00 C ATOM 533 CG2 ILE A 36 -17.080 4.055 8.980 1.00 0.00 C ATOM 534 CD1 ILE A 36 -13.977 3.638 9.910 1.00 0.00 C ATOM 0 H ILE A 36 -14.991 1.412 6.574 1.00 0.00 H new ATOM 0 HA ILE A 36 -17.220 1.333 8.505 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.400 3.651 7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.690 2.512 10.499 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -14.654 1.695 9.346 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -16.612 4.912 9.465 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -17.694 4.400 8.148 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -17.707 3.529 9.700 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -13.370 3.252 10.729 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -13.353 3.769 9.026 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -14.405 4.598 10.197 1.00 0.00 H new ATOM 546 N LYS A 37 -18.735 1.746 6.555 1.00 0.00 N ATOM 547 CA LYS A 37 -19.716 2.114 5.541 1.00 0.00 C ATOM 548 C LYS A 37 -20.602 3.255 6.030 1.00 0.00 C ATOM 549 O LYS A 37 -21.559 3.610 5.344 1.00 0.00 O ATOM 550 CB LYS A 37 -20.578 0.905 5.173 1.00 0.00 C ATOM 551 CG LYS A 37 -19.781 -0.268 4.628 1.00 0.00 C ATOM 552 CD LYS A 37 -20.686 -1.309 3.992 1.00 0.00 C ATOM 553 CE LYS A 37 -19.922 -2.189 3.015 1.00 0.00 C ATOM 554 NZ LYS A 37 -18.871 -2.993 3.698 1.00 0.00 N ATOM 0 H LYS A 37 -19.021 0.973 7.156 1.00 0.00 H new ATOM 0 HA LYS A 37 -19.177 2.450 4.655 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -21.129 0.580 6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -21.316 1.208 4.430 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -19.063 0.090 3.891 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -19.208 -0.726 5.434 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -21.132 -1.929 4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -21.505 -0.812 3.472 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -20.618 -2.857 2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -19.462 -1.566 2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -18.396 -3.604 3.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -18.174 -2.355 4.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -19.309 -3.582 4.435 1.00 0.00 H new TER 568 LYS A 37 HETATM 569 ZN ZN A 101 -3.289 -1.477 0.447 1.00 0.00 ZN