USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=14 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 Set 1.1: A 21 SER OG : rot 160:sc= 0 USER MOD Set 1.2: A 24 HIS : no HD1:sc= -0.701 X(o=-0.7,f=-0.21) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.0446 (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=-0.0375) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -57:sc= 0.825 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 131:sc= -1.7 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -97:sc= -0.156 (180deg=-1.22) USER MOD Single : A 34 LYS NZ :NH3+ -154:sc= -0.166 (180deg=-0.633) USER MOD Single : A 35 LYS NZ :NH3+ -112:sc= -0.935 (180deg=-3.17!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 20.956 -2.296 13.163 1.00 0.00 N ATOM 2 CA GLY A 1 22.261 -1.878 12.686 1.00 0.00 C ATOM 3 C GLY A 1 22.178 -0.733 11.696 1.00 0.00 C ATOM 4 O GLY A 1 21.232 0.054 11.725 1.00 0.00 O ATOM 0 H1 GLY A 1 20.960 -2.327 14.203 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.235 -1.620 12.840 1.00 0.00 H new ATOM 0 H3 GLY A 1 20.736 -3.241 12.789 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.875 -1.576 13.535 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.761 -2.725 12.216 1.00 0.00 H new ATOM 8 N SER A 2 23.171 -0.638 10.818 1.00 0.00 N ATOM 9 CA SER A 2 23.209 0.422 9.818 1.00 0.00 C ATOM 10 C SER A 2 22.521 -0.020 8.531 1.00 0.00 C ATOM 11 O SER A 2 22.732 -1.134 8.052 1.00 0.00 O ATOM 12 CB SER A 2 24.656 0.824 9.525 1.00 0.00 C ATOM 13 OG SER A 2 24.713 1.838 8.536 1.00 0.00 O ATOM 0 H SER A 2 23.960 -1.283 10.779 1.00 0.00 H new ATOM 0 HA SER A 2 22.674 1.284 10.217 1.00 0.00 H new ATOM 0 HB2 SER A 2 25.131 1.177 10.440 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.218 -0.048 9.190 1.00 0.00 H new ATOM 0 HG SER A 2 25.648 2.079 8.368 1.00 0.00 H new ATOM 19 N SER A 3 21.696 0.862 7.975 1.00 0.00 N ATOM 20 CA SER A 3 20.973 0.562 6.745 1.00 0.00 C ATOM 21 C SER A 3 21.940 0.231 5.613 1.00 0.00 C ATOM 22 O SER A 3 22.971 0.883 5.451 1.00 0.00 O ATOM 23 CB SER A 3 20.090 1.746 6.346 1.00 0.00 C ATOM 24 OG SER A 3 19.075 1.344 5.442 1.00 0.00 O ATOM 0 H SER A 3 21.512 1.790 8.357 1.00 0.00 H new ATOM 0 HA SER A 3 20.342 -0.308 6.927 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.637 2.182 7.236 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.703 2.522 5.888 1.00 0.00 H new ATOM 0 HG SER A 3 18.524 2.118 5.204 1.00 0.00 H new ATOM 30 N GLY A 4 21.599 -0.790 4.831 1.00 0.00 N ATOM 31 CA GLY A 4 22.447 -1.191 3.724 1.00 0.00 C ATOM 32 C GLY A 4 22.499 -0.149 2.625 1.00 0.00 C ATOM 33 O GLY A 4 22.154 1.012 2.844 1.00 0.00 O ATOM 0 H GLY A 4 20.751 -1.346 4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 4 23.456 -1.376 4.092 1.00 0.00 H new ATOM 0 HA3 GLY A 4 22.080 -2.131 3.312 1.00 0.00 H new ATOM 37 N SER A 5 22.932 -0.562 1.438 1.00 0.00 N ATOM 38 CA SER A 5 23.033 0.346 0.302 1.00 0.00 C ATOM 39 C SER A 5 21.735 0.360 -0.499 1.00 0.00 C ATOM 40 O SER A 5 21.438 1.324 -1.204 1.00 0.00 O ATOM 41 CB SER A 5 24.199 -0.061 -0.602 1.00 0.00 C ATOM 42 OG SER A 5 24.009 -1.366 -1.122 1.00 0.00 O ATOM 0 H SER A 5 23.219 -1.520 1.238 1.00 0.00 H new ATOM 0 HA SER A 5 23.214 1.350 0.686 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.293 0.651 -1.422 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.131 -0.023 -0.038 1.00 0.00 H new ATOM 0 HG SER A 5 24.766 -1.602 -1.698 1.00 0.00 H new ATOM 48 N SER A 6 20.965 -0.718 -0.385 1.00 0.00 N ATOM 49 CA SER A 6 19.700 -0.832 -1.101 1.00 0.00 C ATOM 50 C SER A 6 18.634 0.057 -0.467 1.00 0.00 C ATOM 51 O SER A 6 17.881 0.736 -1.165 1.00 0.00 O ATOM 52 CB SER A 6 19.225 -2.287 -1.112 1.00 0.00 C ATOM 53 OG SER A 6 18.425 -2.554 -2.250 1.00 0.00 O ATOM 0 H SER A 6 21.195 -1.524 0.196 1.00 0.00 H new ATOM 0 HA SER A 6 19.861 -0.501 -2.127 1.00 0.00 H new ATOM 0 HB2 SER A 6 20.087 -2.954 -1.105 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.655 -2.493 -0.206 1.00 0.00 H new ATOM 0 HG SER A 6 18.136 -3.490 -2.234 1.00 0.00 H new ATOM 59 N GLY A 7 18.578 0.048 0.861 1.00 0.00 N ATOM 60 CA GLY A 7 17.602 0.857 1.568 1.00 0.00 C ATOM 61 C GLY A 7 16.511 0.022 2.209 1.00 0.00 C ATOM 62 O GLY A 7 16.789 -1.011 2.817 1.00 0.00 O ATOM 0 H GLY A 7 19.191 -0.505 1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.108 1.441 2.337 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.152 1.566 0.874 1.00 0.00 H new ATOM 66 N GLU A 8 15.268 0.471 2.074 1.00 0.00 N ATOM 67 CA GLU A 8 14.132 -0.242 2.648 1.00 0.00 C ATOM 68 C GLU A 8 12.819 0.255 2.050 1.00 0.00 C ATOM 69 O GLU A 8 12.598 1.459 1.922 1.00 0.00 O ATOM 70 CB GLU A 8 14.110 -0.070 4.168 1.00 0.00 C ATOM 71 CG GLU A 8 13.452 -1.227 4.901 1.00 0.00 C ATOM 72 CD GLU A 8 14.057 -2.569 4.537 1.00 0.00 C ATOM 73 OE1 GLU A 8 15.221 -2.591 4.086 1.00 0.00 O ATOM 74 OE2 GLU A 8 13.367 -3.596 4.702 1.00 0.00 O ATOM 0 H GLU A 8 15.021 1.324 1.573 1.00 0.00 H new ATOM 0 HA GLU A 8 14.242 -1.300 2.410 1.00 0.00 H new ATOM 0 HB2 GLU A 8 15.133 0.042 4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.583 0.852 4.414 1.00 0.00 H new ATOM 0 HG2 GLU A 8 13.544 -1.071 5.976 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.387 -1.239 4.671 1.00 0.00 H new ATOM 81 N LYS A 9 11.951 -0.682 1.683 1.00 0.00 N ATOM 82 CA LYS A 9 10.659 -0.342 1.099 1.00 0.00 C ATOM 83 C LYS A 9 9.519 -0.958 1.903 1.00 0.00 C ATOM 84 O LYS A 9 9.748 -1.764 2.805 1.00 0.00 O ATOM 85 CB LYS A 9 10.591 -0.823 -0.353 1.00 0.00 C ATOM 86 CG LYS A 9 10.753 -2.326 -0.504 1.00 0.00 C ATOM 87 CD LYS A 9 11.327 -2.690 -1.863 1.00 0.00 C ATOM 88 CE LYS A 9 10.250 -2.704 -2.937 1.00 0.00 C ATOM 89 NZ LYS A 9 9.392 -3.917 -2.847 1.00 0.00 N ATOM 0 H LYS A 9 12.119 -1.683 1.780 1.00 0.00 H new ATOM 0 HA LYS A 9 10.552 0.742 1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 9 9.634 -0.524 -0.782 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.369 -0.322 -0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.408 -2.703 0.282 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.786 -2.812 -0.374 1.00 0.00 H new ATOM 0 HD2 LYS A 9 12.104 -1.975 -2.134 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.801 -3.670 -1.808 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.630 -1.813 -2.841 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.718 -2.662 -3.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 8.785 -3.976 -3.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 9.993 -4.764 -2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 8.798 -3.860 -1.995 1.00 0.00 H new ATOM 103 N PHE A 10 8.291 -0.574 1.570 1.00 0.00 N ATOM 104 CA PHE A 10 7.116 -1.090 2.262 1.00 0.00 C ATOM 105 C PHE A 10 6.027 -1.481 1.267 1.00 0.00 C ATOM 106 O PHE A 10 5.636 -0.686 0.413 1.00 0.00 O ATOM 107 CB PHE A 10 6.575 -0.045 3.241 1.00 0.00 C ATOM 108 CG PHE A 10 7.627 0.529 4.146 1.00 0.00 C ATOM 109 CD1 PHE A 10 8.340 1.657 3.773 1.00 0.00 C ATOM 110 CD2 PHE A 10 7.903 -0.059 5.370 1.00 0.00 C ATOM 111 CE1 PHE A 10 9.309 2.187 4.604 1.00 0.00 C ATOM 112 CE2 PHE A 10 8.870 0.467 6.205 1.00 0.00 C ATOM 113 CZ PHE A 10 9.574 1.592 5.822 1.00 0.00 C ATOM 0 H PHE A 10 8.084 0.092 0.826 1.00 0.00 H new ATOM 0 HA PHE A 10 7.414 -1.980 2.817 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.111 0.764 2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.792 -0.499 3.849 1.00 0.00 H new ATOM 0 HD1 PHE A 10 8.136 2.127 2.822 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.356 -0.939 5.675 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.859 3.066 4.301 1.00 0.00 H new ATOM 0 HE2 PHE A 10 9.075 -0.001 7.156 1.00 0.00 H new ATOM 0 HZ PHE A 10 10.330 2.005 6.473 1.00 0.00 H new ATOM 123 N ALA A 11 5.543 -2.714 1.383 1.00 0.00 N ATOM 124 CA ALA A 11 4.500 -3.211 0.495 1.00 0.00 C ATOM 125 C ALA A 11 3.221 -3.517 1.268 1.00 0.00 C ATOM 126 O ALA A 11 3.208 -4.373 2.153 1.00 0.00 O ATOM 127 CB ALA A 11 4.982 -4.452 -0.242 1.00 0.00 C ATOM 0 H ALA A 11 5.857 -3.386 2.083 1.00 0.00 H new ATOM 0 HA ALA A 11 4.276 -2.432 -0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.193 -4.813 -0.902 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.864 -4.205 -0.833 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.235 -5.229 0.480 1.00 0.00 H new ATOM 133 N CYS A 12 2.147 -2.811 0.929 1.00 0.00 N ATOM 134 CA CYS A 12 0.863 -3.005 1.592 1.00 0.00 C ATOM 135 C CYS A 12 0.521 -4.489 1.690 1.00 0.00 C ATOM 136 O CYS A 12 0.812 -5.265 0.780 1.00 0.00 O ATOM 137 CB CYS A 12 -0.241 -2.264 0.836 1.00 0.00 C ATOM 138 SG CYS A 12 -1.887 -2.399 1.605 1.00 0.00 S ATOM 0 H CYS A 12 2.141 -2.099 0.199 1.00 0.00 H new ATOM 0 HA CYS A 12 0.937 -2.600 2.601 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.028 -1.210 0.762 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.294 -2.652 -0.181 1.00 0.00 H new ATOM 143 N ASP A 13 -0.100 -4.875 2.799 1.00 0.00 N ATOM 144 CA ASP A 13 -0.484 -6.265 3.016 1.00 0.00 C ATOM 145 C ASP A 13 -1.844 -6.557 2.389 1.00 0.00 C ATOM 146 O ASP A 13 -1.963 -7.410 1.509 1.00 0.00 O ATOM 147 CB ASP A 13 -0.521 -6.578 4.512 1.00 0.00 C ATOM 148 CG ASP A 13 -1.386 -7.783 4.830 1.00 0.00 C ATOM 149 OD1 ASP A 13 -1.097 -8.877 4.302 1.00 0.00 O ATOM 150 OD2 ASP A 13 -2.350 -7.631 5.608 1.00 0.00 O ATOM 0 H ASP A 13 -0.348 -4.245 3.562 1.00 0.00 H new ATOM 0 HA ASP A 13 0.261 -6.901 2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.493 -6.758 4.868 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -0.899 -5.710 5.053 1.00 0.00 H new ATOM 155 N TYR A 14 -2.867 -5.844 2.847 1.00 0.00 N ATOM 156 CA TYR A 14 -4.219 -6.030 2.334 1.00 0.00 C ATOM 157 C TYR A 14 -4.207 -6.204 0.818 1.00 0.00 C ATOM 158 O TYR A 14 -4.678 -7.213 0.294 1.00 0.00 O ATOM 159 CB TYR A 14 -5.099 -4.838 2.715 1.00 0.00 C ATOM 160 CG TYR A 14 -5.035 -4.482 4.183 1.00 0.00 C ATOM 161 CD1 TYR A 14 -4.018 -3.675 4.678 1.00 0.00 C ATOM 162 CD2 TYR A 14 -5.990 -4.954 5.075 1.00 0.00 C ATOM 163 CE1 TYR A 14 -3.955 -3.348 6.019 1.00 0.00 C ATOM 164 CE2 TYR A 14 -5.936 -4.631 6.417 1.00 0.00 C ATOM 165 CZ TYR A 14 -4.916 -3.828 6.884 1.00 0.00 C ATOM 166 OH TYR A 14 -4.858 -3.505 8.220 1.00 0.00 O ATOM 0 H TYR A 14 -2.786 -5.132 3.573 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.630 -6.935 2.782 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.797 -3.972 2.126 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -6.132 -5.060 2.448 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.264 -3.297 4.003 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -6.789 -5.584 4.713 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.158 -2.720 6.388 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -6.688 -5.005 7.096 1.00 0.00 H new ATOM 0 HH TYR A 14 -5.609 -3.923 8.690 1.00 0.00 H new ATOM 176 N CYS A 15 -3.664 -5.213 0.120 1.00 0.00 N ATOM 177 CA CYS A 15 -3.589 -5.254 -1.336 1.00 0.00 C ATOM 178 C CYS A 15 -2.137 -5.300 -1.804 1.00 0.00 C ATOM 179 O CYS A 15 -1.211 -5.169 -1.004 1.00 0.00 O ATOM 180 CB CYS A 15 -4.292 -4.036 -1.938 1.00 0.00 C ATOM 181 SG CYS A 15 -3.416 -2.462 -1.666 1.00 0.00 S ATOM 0 H CYS A 15 -3.269 -4.371 0.539 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.091 -6.160 -1.676 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -4.412 -4.192 -3.010 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.293 -3.961 -1.513 1.00 0.00 H new ATOM 186 N SER A 16 -1.947 -5.489 -3.106 1.00 0.00 N ATOM 187 CA SER A 16 -0.609 -5.557 -3.682 1.00 0.00 C ATOM 188 C SER A 16 -0.105 -4.165 -4.051 1.00 0.00 C ATOM 189 O SER A 16 0.426 -3.953 -5.141 1.00 0.00 O ATOM 190 CB SER A 16 -0.608 -6.456 -4.920 1.00 0.00 C ATOM 191 OG SER A 16 0.688 -6.546 -5.484 1.00 0.00 O ATOM 0 H SER A 16 -2.703 -5.598 -3.782 1.00 0.00 H new ATOM 0 HA SER A 16 0.060 -5.981 -2.933 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.961 -7.452 -4.650 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.304 -6.061 -5.661 1.00 0.00 H new ATOM 0 HG SER A 16 1.013 -5.648 -5.703 1.00 0.00 H new ATOM 197 N PHE A 17 -0.277 -3.218 -3.134 1.00 0.00 N ATOM 198 CA PHE A 17 0.159 -1.846 -3.361 1.00 0.00 C ATOM 199 C PHE A 17 1.524 -1.596 -2.725 1.00 0.00 C ATOM 200 O PHE A 17 1.722 -1.841 -1.535 1.00 0.00 O ATOM 201 CB PHE A 17 -0.867 -0.862 -2.796 1.00 0.00 C ATOM 202 CG PHE A 17 -0.356 0.547 -2.696 1.00 0.00 C ATOM 203 CD1 PHE A 17 0.308 0.978 -1.558 1.00 0.00 C ATOM 204 CD2 PHE A 17 -0.539 1.440 -3.739 1.00 0.00 C ATOM 205 CE1 PHE A 17 0.780 2.273 -1.463 1.00 0.00 C ATOM 206 CE2 PHE A 17 -0.068 2.737 -3.650 1.00 0.00 C ATOM 207 CZ PHE A 17 0.591 3.154 -2.510 1.00 0.00 C ATOM 0 H PHE A 17 -0.715 -3.376 -2.227 1.00 0.00 H new ATOM 0 HA PHE A 17 0.245 -1.692 -4.437 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.755 -0.874 -3.427 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.175 -1.199 -1.806 1.00 0.00 H new ATOM 0 HD1 PHE A 17 0.458 0.294 -0.736 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.055 1.120 -4.632 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.296 2.596 -0.571 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.215 3.423 -4.471 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.958 4.167 -2.437 1.00 0.00 H new ATOM 217 N THR A 18 2.463 -1.106 -3.528 1.00 0.00 N ATOM 218 CA THR A 18 3.810 -0.824 -3.046 1.00 0.00 C ATOM 219 C THR A 18 4.096 0.673 -3.059 1.00 0.00 C ATOM 220 O THR A 18 3.538 1.414 -3.870 1.00 0.00 O ATOM 221 CB THR A 18 4.873 -1.546 -3.894 1.00 0.00 C ATOM 222 OG1 THR A 18 4.570 -2.944 -3.973 1.00 0.00 O ATOM 223 CG2 THR A 18 6.260 -1.356 -3.300 1.00 0.00 C ATOM 0 H THR A 18 2.316 -0.896 -4.515 1.00 0.00 H new ATOM 0 HA THR A 18 3.863 -1.192 -2.021 1.00 0.00 H new ATOM 0 HB THR A 18 4.862 -1.115 -4.895 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.250 -3.396 -4.515 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.994 -1.875 -3.916 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.500 -0.293 -3.268 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.282 -1.763 -2.289 1.00 0.00 H new ATOM 231 N CYS A 19 4.968 1.112 -2.159 1.00 0.00 N ATOM 232 CA CYS A 19 5.329 2.522 -2.067 1.00 0.00 C ATOM 233 C CYS A 19 6.671 2.696 -1.363 1.00 0.00 C ATOM 234 O CYS A 19 7.058 1.876 -0.529 1.00 0.00 O ATOM 235 CB CYS A 19 4.244 3.300 -1.321 1.00 0.00 C ATOM 236 SG CYS A 19 4.262 5.080 -1.638 1.00 0.00 S ATOM 0 H CYS A 19 5.439 0.512 -1.482 1.00 0.00 H new ATOM 0 HA CYS A 19 5.417 2.915 -3.080 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.269 2.902 -1.601 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.362 3.131 -0.251 1.00 0.00 H new ATOM 0 HG CYS A 19 3.062 5.480 -1.936 1.00 0.00 H new ATOM 242 N LEU A 20 7.379 3.767 -1.706 1.00 0.00 N ATOM 243 CA LEU A 20 8.680 4.047 -1.109 1.00 0.00 C ATOM 244 C LEU A 20 8.523 4.816 0.200 1.00 0.00 C ATOM 245 O LEU A 20 9.022 4.393 1.243 1.00 0.00 O ATOM 246 CB LEU A 20 9.548 4.846 -2.082 1.00 0.00 C ATOM 247 CG LEU A 20 9.904 4.146 -3.394 1.00 0.00 C ATOM 248 CD1 LEU A 20 10.593 5.113 -4.345 1.00 0.00 C ATOM 249 CD2 LEU A 20 10.786 2.935 -3.130 1.00 0.00 C ATOM 0 H LEU A 20 7.074 4.455 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 20 9.167 3.096 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 20 9.032 5.776 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 20 10.474 5.115 -1.574 1.00 0.00 H new ATOM 0 HG LEU A 20 8.982 3.803 -3.863 1.00 0.00 H new ATOM 0 HD11 LEU A 20 10.839 4.597 -5.273 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.927 5.949 -4.560 1.00 0.00 H new ATOM 0 HD13 LEU A 20 11.507 5.487 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 20 11.029 2.449 -4.075 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.705 3.254 -2.639 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.256 2.232 -2.487 1.00 0.00 H new ATOM 261 N SER A 21 7.826 5.946 0.137 1.00 0.00 N ATOM 262 CA SER A 21 7.605 6.774 1.316 1.00 0.00 C ATOM 263 C SER A 21 6.779 6.027 2.358 1.00 0.00 C ATOM 264 O SER A 21 5.832 5.314 2.023 1.00 0.00 O ATOM 265 CB SER A 21 6.900 8.075 0.927 1.00 0.00 C ATOM 266 OG SER A 21 6.641 8.876 2.067 1.00 0.00 O ATOM 0 H SER A 21 7.405 6.309 -0.718 1.00 0.00 H new ATOM 0 HA SER A 21 8.576 7.011 1.750 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.518 8.630 0.222 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.963 7.847 0.419 1.00 0.00 H new ATOM 0 HG SER A 21 6.496 9.804 1.788 1.00 0.00 H new ATOM 272 N LYS A 22 7.144 6.194 3.625 1.00 0.00 N ATOM 273 CA LYS A 22 6.438 5.537 4.718 1.00 0.00 C ATOM 274 C LYS A 22 5.048 6.137 4.907 1.00 0.00 C ATOM 275 O LYS A 22 4.046 5.424 4.885 1.00 0.00 O ATOM 276 CB LYS A 22 7.239 5.660 6.017 1.00 0.00 C ATOM 277 CG LYS A 22 6.503 5.134 7.237 1.00 0.00 C ATOM 278 CD LYS A 22 6.528 3.616 7.291 1.00 0.00 C ATOM 279 CE LYS A 22 5.335 3.013 6.566 1.00 0.00 C ATOM 280 NZ LYS A 22 4.171 2.822 7.475 1.00 0.00 N ATOM 0 H LYS A 22 7.925 6.779 3.920 1.00 0.00 H new ATOM 0 HA LYS A 22 6.328 4.483 4.464 1.00 0.00 H new ATOM 0 HB2 LYS A 22 8.178 5.118 5.908 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.493 6.707 6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.959 5.539 8.141 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.470 5.481 7.218 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.451 3.250 6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.527 3.288 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.047 3.662 5.739 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.620 2.054 6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.379 2.409 6.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.438 2.183 8.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.883 3.741 7.868 1.00 0.00 H new ATOM 294 N GLY A 23 4.997 7.453 5.090 1.00 0.00 N ATOM 295 CA GLY A 23 3.725 8.126 5.278 1.00 0.00 C ATOM 296 C GLY A 23 2.717 7.772 4.202 1.00 0.00 C ATOM 297 O GLY A 23 1.532 7.594 4.486 1.00 0.00 O ATOM 0 H GLY A 23 5.813 8.065 5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.318 7.861 6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.885 9.204 5.281 1.00 0.00 H new ATOM 301 N HIS A 24 3.187 7.671 2.963 1.00 0.00 N ATOM 302 CA HIS A 24 2.318 7.337 1.840 1.00 0.00 C ATOM 303 C HIS A 24 1.528 6.063 2.125 1.00 0.00 C ATOM 304 O HIS A 24 0.298 6.056 2.066 1.00 0.00 O ATOM 305 CB HIS A 24 3.141 7.166 0.563 1.00 0.00 C ATOM 306 CG HIS A 24 3.343 8.442 -0.194 1.00 0.00 C ATOM 307 ND1 HIS A 24 2.830 8.658 -1.455 1.00 0.00 N ATOM 308 CD2 HIS A 24 4.007 9.574 0.139 1.00 0.00 C ATOM 309 CE1 HIS A 24 3.170 9.867 -1.866 1.00 0.00 C ATOM 310 NE2 HIS A 24 3.884 10.444 -0.916 1.00 0.00 N ATOM 0 H HIS A 24 4.165 7.816 2.711 1.00 0.00 H new ATOM 0 HA HIS A 24 1.614 8.157 1.701 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.114 6.748 0.821 1.00 0.00 H new ATOM 0 HB3 HIS A 24 2.645 6.443 -0.085 1.00 0.00 H new ATOM 0 HD2 HIS A 24 4.535 9.758 1.063 1.00 0.00 H new ATOM 0 HE1 HIS A 24 2.909 10.308 -2.817 1.00 0.00 H new ATOM 0 HE2 HIS A 24 4.280 11.383 -0.959 1.00 0.00 H new ATOM 318 N LEU A 25 2.243 4.986 2.432 1.00 0.00 N ATOM 319 CA LEU A 25 1.610 3.705 2.726 1.00 0.00 C ATOM 320 C LEU A 25 0.602 3.844 3.862 1.00 0.00 C ATOM 321 O LEU A 25 -0.531 3.370 3.763 1.00 0.00 O ATOM 322 CB LEU A 25 2.668 2.663 3.091 1.00 0.00 C ATOM 323 CG LEU A 25 2.139 1.312 3.575 1.00 0.00 C ATOM 324 CD1 LEU A 25 1.383 0.604 2.462 1.00 0.00 C ATOM 325 CD2 LEU A 25 3.281 0.443 4.083 1.00 0.00 C ATOM 0 H LEU A 25 3.262 4.974 2.484 1.00 0.00 H new ATOM 0 HA LEU A 25 1.079 3.376 1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.298 2.493 2.218 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.307 3.080 3.869 1.00 0.00 H new ATOM 0 HG LEU A 25 1.448 1.489 4.399 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.014 -0.355 2.826 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.541 1.220 2.145 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.051 0.439 1.616 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.886 -0.514 4.423 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.996 0.275 3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.779 0.945 4.912 1.00 0.00 H new ATOM 337 N LYS A 26 1.020 4.497 4.940 1.00 0.00 N ATOM 338 CA LYS A 26 0.153 4.702 6.095 1.00 0.00 C ATOM 339 C LYS A 26 -1.177 5.319 5.675 1.00 0.00 C ATOM 340 O LYS A 26 -2.240 4.743 5.904 1.00 0.00 O ATOM 341 CB LYS A 26 0.843 5.603 7.123 1.00 0.00 C ATOM 342 CG LYS A 26 0.021 5.832 8.379 1.00 0.00 C ATOM 343 CD LYS A 26 0.552 7.006 9.186 1.00 0.00 C ATOM 344 CE LYS A 26 1.863 6.661 9.875 1.00 0.00 C ATOM 345 NZ LYS A 26 3.036 6.916 8.995 1.00 0.00 N ATOM 0 H LYS A 26 1.954 4.894 5.039 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.044 3.730 6.547 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.799 5.158 7.400 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.062 6.566 6.661 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.018 6.017 8.106 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.034 4.931 8.993 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.700 7.863 8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.186 7.300 9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.959 7.249 10.788 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.852 5.612 10.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.323 6.029 8.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.780 7.616 8.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.825 7.281 9.566 1.00 0.00 H new ATOM 359 N VAL A 27 -1.110 6.494 5.056 1.00 0.00 N ATOM 360 CA VAL A 27 -2.309 7.188 4.601 1.00 0.00 C ATOM 361 C VAL A 27 -3.109 6.324 3.633 1.00 0.00 C ATOM 362 O VAL A 27 -4.340 6.298 3.679 1.00 0.00 O ATOM 363 CB VAL A 27 -1.959 8.521 3.914 1.00 0.00 C ATOM 364 CG1 VAL A 27 -3.217 9.201 3.395 1.00 0.00 C ATOM 365 CG2 VAL A 27 -1.208 9.433 4.873 1.00 0.00 C ATOM 0 H VAL A 27 -0.238 6.985 4.858 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.912 7.392 5.486 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.310 8.312 3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.950 10.141 2.913 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.711 8.550 2.673 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.893 9.399 4.227 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.968 10.371 4.371 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.831 9.637 5.744 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.286 8.946 5.191 1.00 0.00 H new ATOM 375 N HIS A 28 -2.403 5.618 2.756 1.00 0.00 N ATOM 376 CA HIS A 28 -3.048 4.751 1.776 1.00 0.00 C ATOM 377 C HIS A 28 -4.032 3.803 2.453 1.00 0.00 C ATOM 378 O HIS A 28 -5.208 3.752 2.092 1.00 0.00 O ATOM 379 CB HIS A 28 -1.999 3.950 1.004 1.00 0.00 C ATOM 380 CG HIS A 28 -2.516 2.654 0.460 1.00 0.00 C ATOM 381 ND1 HIS A 28 -3.484 2.581 -0.519 1.00 0.00 N ATOM 382 CD2 HIS A 28 -2.192 1.375 0.764 1.00 0.00 C ATOM 383 CE1 HIS A 28 -3.735 1.313 -0.793 1.00 0.00 C ATOM 384 NE2 HIS A 28 -2.964 0.561 -0.029 1.00 0.00 N ATOM 0 H HIS A 28 -1.384 5.629 2.704 1.00 0.00 H new ATOM 0 HA HIS A 28 -3.600 5.381 1.078 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -1.625 4.557 0.180 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.153 3.747 1.661 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -3.936 3.381 -0.962 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -1.463 1.055 1.494 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -4.449 0.953 -1.519 1.00 0.00 H new ATOM 392 N ILE A 29 -3.544 3.054 3.436 1.00 0.00 N ATOM 393 CA ILE A 29 -4.381 2.108 4.163 1.00 0.00 C ATOM 394 C ILE A 29 -5.313 2.830 5.130 1.00 0.00 C ATOM 395 O ILE A 29 -6.450 2.409 5.341 1.00 0.00 O ATOM 396 CB ILE A 29 -3.531 1.093 4.950 1.00 0.00 C ATOM 397 CG1 ILE A 29 -2.446 0.498 4.050 1.00 0.00 C ATOM 398 CG2 ILE A 29 -4.413 -0.006 5.522 1.00 0.00 C ATOM 399 CD1 ILE A 29 -1.299 -0.123 4.816 1.00 0.00 C ATOM 0 H ILE A 29 -2.573 3.084 3.747 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.973 1.575 3.419 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.047 1.611 5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.894 -0.259 3.406 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.056 1.280 3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.798 -0.715 6.075 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.152 0.433 6.192 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.922 -0.524 4.709 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -0.568 -0.524 4.114 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.825 0.635 5.440 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.676 -0.928 5.447 1.00 0.00 H new ATOM 411 N GLU A 30 -4.825 3.921 5.712 1.00 0.00 N ATOM 412 CA GLU A 30 -5.616 4.702 6.656 1.00 0.00 C ATOM 413 C GLU A 30 -6.831 5.317 5.968 1.00 0.00 C ATOM 414 O GLU A 30 -7.730 5.842 6.626 1.00 0.00 O ATOM 415 CB GLU A 30 -4.760 5.803 7.285 1.00 0.00 C ATOM 416 CG GLU A 30 -4.003 5.354 8.523 1.00 0.00 C ATOM 417 CD GLU A 30 -4.829 5.478 9.789 1.00 0.00 C ATOM 418 OE1 GLU A 30 -5.330 6.589 10.063 1.00 0.00 O ATOM 419 OE2 GLU A 30 -4.975 4.465 10.505 1.00 0.00 O ATOM 0 H GLU A 30 -3.886 4.284 5.547 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.965 4.031 7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.046 6.164 6.544 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.401 6.645 7.547 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.691 4.317 8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -3.096 5.950 8.626 1.00 0.00 H new ATOM 426 N ARG A 31 -6.850 5.249 4.641 1.00 0.00 N ATOM 427 CA ARG A 31 -7.953 5.801 3.864 1.00 0.00 C ATOM 428 C ARG A 31 -8.592 4.727 2.988 1.00 0.00 C ATOM 429 O ARG A 31 -9.774 4.416 3.131 1.00 0.00 O ATOM 430 CB ARG A 31 -7.463 6.959 2.993 1.00 0.00 C ATOM 431 CG ARG A 31 -6.777 8.064 3.780 1.00 0.00 C ATOM 432 CD ARG A 31 -7.782 9.072 4.315 1.00 0.00 C ATOM 433 NE ARG A 31 -7.261 9.807 5.465 1.00 0.00 N ATOM 434 CZ ARG A 31 -6.440 10.847 5.361 1.00 0.00 C ATOM 435 NH1 ARG A 31 -6.050 11.272 4.168 1.00 0.00 N ATOM 436 NH2 ARG A 31 -6.009 11.464 6.454 1.00 0.00 N ATOM 0 H ARG A 31 -6.114 4.817 4.082 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.704 6.172 4.561 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.770 6.573 2.246 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -8.311 7.381 2.454 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.219 7.629 4.609 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.054 8.572 3.142 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.046 9.775 3.525 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.698 8.554 4.600 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.542 9.506 6.398 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.380 10.801 3.326 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.420 12.070 4.092 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.308 11.140 7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.379 12.262 6.374 1.00 0.00 H new ATOM 450 N VAL A 32 -7.801 4.163 2.081 1.00 0.00 N ATOM 451 CA VAL A 32 -8.288 3.124 1.182 1.00 0.00 C ATOM 452 C VAL A 32 -8.889 1.960 1.962 1.00 0.00 C ATOM 453 O VAL A 32 -10.081 1.674 1.851 1.00 0.00 O ATOM 454 CB VAL A 32 -7.161 2.593 0.275 1.00 0.00 C ATOM 455 CG1 VAL A 32 -7.651 1.412 -0.549 1.00 0.00 C ATOM 456 CG2 VAL A 32 -6.636 3.700 -0.625 1.00 0.00 C ATOM 0 H VAL A 32 -6.820 4.408 1.949 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.060 3.579 0.561 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.341 2.250 0.906 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -6.842 1.050 -1.183 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.975 0.613 0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.488 1.726 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.841 3.307 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.446 4.076 -1.250 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.244 4.512 -0.012 1.00 0.00 H new ATOM 466 N HIS A 33 -8.055 1.291 2.752 1.00 0.00 N ATOM 467 CA HIS A 33 -8.504 0.158 3.553 1.00 0.00 C ATOM 468 C HIS A 33 -9.171 0.632 4.840 1.00 0.00 C ATOM 469 O HIS A 33 -8.570 0.592 5.914 1.00 0.00 O ATOM 470 CB HIS A 33 -7.327 -0.760 3.882 1.00 0.00 C ATOM 471 CG HIS A 33 -6.667 -1.346 2.672 1.00 0.00 C ATOM 472 ND1 HIS A 33 -7.249 -2.327 1.898 1.00 0.00 N ATOM 473 CD2 HIS A 33 -5.467 -1.081 2.102 1.00 0.00 C ATOM 474 CE1 HIS A 33 -6.436 -2.642 0.906 1.00 0.00 C ATOM 475 NE2 HIS A 33 -5.348 -1.901 1.007 1.00 0.00 N ATOM 0 H HIS A 33 -7.065 1.514 2.854 1.00 0.00 H new ATOM 0 HA HIS A 33 -9.237 -0.399 2.970 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.587 -0.198 4.453 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.677 -1.570 4.523 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -8.165 -2.744 2.065 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.740 -0.360 2.445 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.629 -3.380 0.142 1.00 0.00 H new ATOM 483 N LYS A 34 -10.415 1.083 4.726 1.00 0.00 N ATOM 484 CA LYS A 34 -11.164 1.565 5.880 1.00 0.00 C ATOM 485 C LYS A 34 -12.457 0.776 6.058 1.00 0.00 C ATOM 486 O LYS A 34 -13.519 1.192 5.594 1.00 0.00 O ATOM 487 CB LYS A 34 -11.480 3.054 5.722 1.00 0.00 C ATOM 488 CG LYS A 34 -12.271 3.634 6.882 1.00 0.00 C ATOM 489 CD LYS A 34 -13.093 4.837 6.451 1.00 0.00 C ATOM 490 CE LYS A 34 -12.298 6.128 6.575 1.00 0.00 C ATOM 491 NZ LYS A 34 -11.938 6.424 7.989 1.00 0.00 N ATOM 0 H LYS A 34 -10.927 1.125 3.845 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.548 1.422 6.768 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.546 3.606 5.618 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.042 3.202 4.800 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.931 2.869 7.292 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.588 3.926 7.679 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.418 4.706 5.419 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.993 4.902 7.063 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.390 6.054 5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.881 6.954 6.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.809 7.449 8.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.699 6.096 8.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.054 5.934 8.232 1.00 0.00 H new ATOM 505 N LYS A 35 -12.361 -0.364 6.733 1.00 0.00 N ATOM 506 CA LYS A 35 -13.523 -1.211 6.975 1.00 0.00 C ATOM 507 C LYS A 35 -14.645 -0.418 7.639 1.00 0.00 C ATOM 508 O LYS A 35 -14.428 0.691 8.128 1.00 0.00 O ATOM 509 CB LYS A 35 -13.137 -2.403 7.854 1.00 0.00 C ATOM 510 CG LYS A 35 -12.729 -2.012 9.264 1.00 0.00 C ATOM 511 CD LYS A 35 -12.406 -3.232 10.110 1.00 0.00 C ATOM 512 CE LYS A 35 -13.664 -3.997 10.489 1.00 0.00 C ATOM 513 NZ LYS A 35 -14.078 -4.949 9.421 1.00 0.00 N ATOM 0 H LYS A 35 -11.489 -0.723 7.123 1.00 0.00 H new ATOM 0 HA LYS A 35 -13.881 -1.578 6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -13.979 -3.093 7.907 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -12.314 -2.940 7.382 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.860 -1.356 9.223 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -13.534 -1.446 9.733 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.731 -3.889 9.561 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.882 -2.921 11.014 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -13.491 -4.544 11.416 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -14.473 -3.293 10.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.970 -4.627 8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.341 -4.991 8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -14.212 -5.895 9.832 1.00 0.00 H new ATOM 527 N ILE A 36 -15.842 -0.995 7.654 1.00 0.00 N ATOM 528 CA ILE A 36 -16.996 -0.343 8.260 1.00 0.00 C ATOM 529 C ILE A 36 -17.385 -1.020 9.570 1.00 0.00 C ATOM 530 O ILE A 36 -17.204 -2.226 9.736 1.00 0.00 O ATOM 531 CB ILE A 36 -18.209 -0.350 7.312 1.00 0.00 C ATOM 532 CG1 ILE A 36 -19.331 0.525 7.876 1.00 0.00 C ATOM 533 CG2 ILE A 36 -18.700 -1.773 7.091 1.00 0.00 C ATOM 534 CD1 ILE A 36 -20.393 0.876 6.859 1.00 0.00 C ATOM 0 H ILE A 36 -16.038 -1.912 7.253 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.707 0.689 8.459 1.00 0.00 H new ATOM 0 HB ILE A 36 -17.902 0.061 6.350 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -19.799 0.007 8.713 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -18.900 1.445 8.271 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -19.558 -1.762 6.419 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -17.901 -2.369 6.650 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -18.993 -2.209 8.046 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -21.156 1.497 7.329 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -19.939 1.422 6.032 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -20.852 -0.038 6.482 1.00 0.00 H new ATOM 546 N LYS A 37 -17.921 -0.235 10.499 1.00 0.00 N ATOM 547 CA LYS A 37 -18.339 -0.758 11.794 1.00 0.00 C ATOM 548 C LYS A 37 -19.147 0.281 12.565 1.00 0.00 C ATOM 549 O LYS A 37 -18.632 1.366 12.832 1.00 0.00 O ATOM 550 CB LYS A 37 -17.119 -1.182 12.614 1.00 0.00 C ATOM 551 CG LYS A 37 -17.451 -2.129 13.754 1.00 0.00 C ATOM 552 CD LYS A 37 -17.910 -1.373 14.990 1.00 0.00 C ATOM 553 CE LYS A 37 -18.834 -2.222 15.851 1.00 0.00 C ATOM 554 NZ LYS A 37 -20.261 -2.062 15.457 1.00 0.00 N ATOM 0 H LYS A 37 -18.076 0.766 10.379 1.00 0.00 H new ATOM 0 HA LYS A 37 -18.972 -1.628 11.619 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.397 -1.661 11.953 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -16.638 -0.292 13.020 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -18.232 -2.821 13.438 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -16.574 -2.728 13.998 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.042 -1.069 15.575 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -18.426 -0.461 14.689 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -18.549 -3.271 15.765 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -18.713 -1.943 16.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -20.858 -2.656 16.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -20.541 -1.066 15.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -20.382 -2.352 14.466 1.00 0.00 H new TER 568 LYS A 37 HETATM 569 ZN ZN A 101 -3.588 -1.422 0.266 1.00 0.00 ZN