USER MOD reduce.3.24.130724 H: found=0, std=0, add=275, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 273 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 29 HIS HE2 : A 29 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 42:sc= 0.924 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 8 ASN : amide:sc= -2.58! C(o=-2.6!,f=-5.1!) USER MOD Single : A 14 ASN : amide:sc= -6.53! C(o=-6.5!,f=-11!) USER MOD Single : A 18 CYS SG : rot -130:sc= 1.3 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 49:sc= -0.953 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 74:sc= 0.543 USER MOD Single : A 32 GLN : amide:sc= -0.41 X(o=-0.41,f=-0.41) USER MOD Single : A 33 THR OG1 : rot 82:sc= 0.666 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0731) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -62:sc= 0.0844 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.586 -12.930 -4.801 1.00 0.00 N ATOM 2 CA GLY A 1 9.539 -14.371 -4.637 1.00 0.00 C ATOM 3 C GLY A 1 8.170 -14.945 -4.942 1.00 0.00 C ATOM 4 O GLY A 1 7.485 -15.442 -4.049 1.00 0.00 O ATOM 0 H1 GLY A 1 10.543 -12.587 -4.581 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.347 -12.684 -5.783 1.00 0.00 H new ATOM 0 H3 GLY A 1 8.902 -12.485 -4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.277 -14.832 -5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.817 -14.626 -3.614 1.00 0.00 H new ATOM 8 N SER A 2 7.770 -14.877 -6.208 1.00 0.00 N ATOM 9 CA SER A 2 6.471 -15.389 -6.628 1.00 0.00 C ATOM 10 C SER A 2 6.560 -16.871 -6.982 1.00 0.00 C ATOM 11 O SER A 2 6.821 -17.231 -8.129 1.00 0.00 O ATOM 12 CB SER A 2 5.951 -14.597 -7.829 1.00 0.00 C ATOM 13 OG SER A 2 6.827 -14.715 -8.936 1.00 0.00 O ATOM 0 H SER A 2 8.327 -14.472 -6.961 1.00 0.00 H new ATOM 0 HA SER A 2 5.776 -15.273 -5.796 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.960 -14.958 -8.105 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.843 -13.547 -7.557 1.00 0.00 H new ATOM 0 HG SER A 2 7.134 -15.642 -9.013 1.00 0.00 H new ATOM 19 N SER A 3 6.342 -17.724 -5.987 1.00 0.00 N ATOM 20 CA SER A 3 6.401 -19.167 -6.191 1.00 0.00 C ATOM 21 C SER A 3 5.001 -19.748 -6.372 1.00 0.00 C ATOM 22 O SER A 3 4.732 -20.455 -7.342 1.00 0.00 O ATOM 23 CB SER A 3 7.096 -19.843 -5.007 1.00 0.00 C ATOM 24 OG SER A 3 8.446 -19.424 -4.902 1.00 0.00 O ATOM 0 H SER A 3 6.123 -17.442 -5.032 1.00 0.00 H new ATOM 0 HA SER A 3 6.975 -19.357 -7.098 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.565 -19.605 -4.085 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.056 -20.926 -5.127 1.00 0.00 H new ATOM 0 HG SER A 3 8.868 -19.868 -4.137 1.00 0.00 H new ATOM 30 N GLY A 4 4.114 -19.443 -5.430 1.00 0.00 N ATOM 31 CA GLY A 4 2.753 -19.942 -5.503 1.00 0.00 C ATOM 32 C GLY A 4 1.907 -19.174 -6.499 1.00 0.00 C ATOM 33 O GLY A 4 2.357 -18.182 -7.072 1.00 0.00 O ATOM 0 H GLY A 4 4.313 -18.859 -4.618 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.770 -20.996 -5.782 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.293 -19.880 -4.517 1.00 0.00 H new ATOM 37 N SER A 5 0.677 -19.634 -6.706 1.00 0.00 N ATOM 38 CA SER A 5 -0.233 -18.987 -7.644 1.00 0.00 C ATOM 39 C SER A 5 -1.310 -18.202 -6.902 1.00 0.00 C ATOM 40 O SER A 5 -1.568 -17.038 -7.208 1.00 0.00 O ATOM 41 CB SER A 5 -0.882 -20.028 -8.558 1.00 0.00 C ATOM 42 OG SER A 5 0.019 -20.456 -9.564 1.00 0.00 O ATOM 0 H SER A 5 0.288 -20.452 -6.237 1.00 0.00 H new ATOM 0 HA SER A 5 0.345 -18.291 -8.252 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.205 -20.885 -7.967 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.774 -19.605 -9.020 1.00 0.00 H new ATOM 0 HG SER A 5 -0.419 -21.122 -10.134 1.00 0.00 H new ATOM 48 N SER A 6 -1.937 -18.849 -5.924 1.00 0.00 N ATOM 49 CA SER A 6 -2.989 -18.214 -5.140 1.00 0.00 C ATOM 50 C SER A 6 -3.164 -18.916 -3.796 1.00 0.00 C ATOM 51 O SER A 6 -2.822 -20.088 -3.647 1.00 0.00 O ATOM 52 CB SER A 6 -4.310 -18.230 -5.912 1.00 0.00 C ATOM 53 OG SER A 6 -4.861 -19.535 -5.953 1.00 0.00 O ATOM 0 H SER A 6 -1.734 -19.812 -5.656 1.00 0.00 H new ATOM 0 HA SER A 6 -2.697 -17.180 -4.955 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.018 -17.548 -5.442 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.146 -17.869 -6.927 1.00 0.00 H new ATOM 0 HG SER A 6 -5.705 -19.518 -6.450 1.00 0.00 H new ATOM 59 N GLY A 7 -3.699 -18.188 -2.821 1.00 0.00 N ATOM 60 CA GLY A 7 -3.911 -18.756 -1.502 1.00 0.00 C ATOM 61 C GLY A 7 -4.959 -18.003 -0.707 1.00 0.00 C ATOM 62 O GLY A 7 -5.835 -17.356 -1.280 1.00 0.00 O ATOM 0 H GLY A 7 -3.989 -17.215 -2.921 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.216 -19.798 -1.603 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.970 -18.751 -0.952 1.00 0.00 H new ATOM 66 N ASN A 8 -4.871 -18.089 0.616 1.00 0.00 N ATOM 67 CA ASN A 8 -5.821 -17.412 1.491 1.00 0.00 C ATOM 68 C ASN A 8 -5.458 -15.938 1.652 1.00 0.00 C ATOM 69 O ASN A 8 -6.315 -15.062 1.544 1.00 0.00 O ATOM 70 CB ASN A 8 -5.859 -18.092 2.861 1.00 0.00 C ATOM 71 CG ASN A 8 -4.628 -17.787 3.692 1.00 0.00 C ATOM 72 OD1 ASN A 8 -4.447 -16.665 4.166 1.00 0.00 O ATOM 73 ND2 ASN A 8 -3.773 -18.787 3.872 1.00 0.00 N ATOM 0 H ASN A 8 -4.152 -18.621 1.106 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.808 -17.477 1.033 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.748 -17.766 3.401 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -5.945 -19.170 2.726 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.926 -18.641 4.422 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.963 -19.701 3.461 1.00 0.00 H new ATOM 80 N GLY A 9 -4.181 -15.674 1.909 1.00 0.00 N ATOM 81 CA GLY A 9 -3.726 -14.306 2.080 1.00 0.00 C ATOM 82 C GLY A 9 -3.268 -13.680 0.778 1.00 0.00 C ATOM 83 O GLY A 9 -2.096 -13.774 0.415 1.00 0.00 O ATOM 0 H GLY A 9 -3.453 -16.383 2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.533 -13.708 2.503 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.906 -14.286 2.797 1.00 0.00 H new ATOM 87 N ALA A 10 -4.196 -13.042 0.072 1.00 0.00 N ATOM 88 CA ALA A 10 -3.880 -12.398 -1.198 1.00 0.00 C ATOM 89 C ALA A 10 -3.180 -11.062 -0.977 1.00 0.00 C ATOM 90 O ALA A 10 -2.139 -10.789 -1.575 1.00 0.00 O ATOM 91 CB ALA A 10 -5.146 -12.203 -2.019 1.00 0.00 C ATOM 0 H ALA A 10 -5.172 -12.957 0.357 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.199 -13.048 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.896 -11.721 -2.964 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -5.605 -13.172 -2.216 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.845 -11.576 -1.466 1.00 0.00 H new ATOM 97 N PHE A 11 -3.757 -10.232 -0.114 1.00 0.00 N ATOM 98 CA PHE A 11 -3.188 -8.923 0.185 1.00 0.00 C ATOM 99 C PHE A 11 -2.203 -9.010 1.347 1.00 0.00 C ATOM 100 O PHE A 11 -2.592 -9.266 2.487 1.00 0.00 O ATOM 101 CB PHE A 11 -4.299 -7.924 0.517 1.00 0.00 C ATOM 102 CG PHE A 11 -5.194 -7.614 -0.649 1.00 0.00 C ATOM 103 CD1 PHE A 11 -4.677 -7.057 -1.807 1.00 0.00 C ATOM 104 CD2 PHE A 11 -6.553 -7.880 -0.586 1.00 0.00 C ATOM 105 CE1 PHE A 11 -5.499 -6.769 -2.881 1.00 0.00 C ATOM 106 CE2 PHE A 11 -7.379 -7.596 -1.657 1.00 0.00 C ATOM 107 CZ PHE A 11 -6.851 -7.040 -2.806 1.00 0.00 C ATOM 0 H PHE A 11 -4.618 -10.443 0.390 1.00 0.00 H new ATOM 0 HA PHE A 11 -2.651 -8.578 -0.698 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -4.903 -8.322 1.333 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -3.849 -6.998 0.876 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.620 -6.845 -1.872 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -6.971 -8.314 0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -5.084 -6.333 -3.778 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.436 -7.809 -1.596 1.00 0.00 H new ATOM 0 HZ PHE A 11 -7.495 -6.818 -3.644 1.00 0.00 H new ATOM 117 N PHE A 12 -0.926 -8.795 1.050 1.00 0.00 N ATOM 118 CA PHE A 12 0.116 -8.851 2.069 1.00 0.00 C ATOM 119 C PHE A 12 0.796 -7.494 2.225 1.00 0.00 C ATOM 120 O PHE A 12 0.970 -6.758 1.254 1.00 0.00 O ATOM 121 CB PHE A 12 1.154 -9.916 1.709 1.00 0.00 C ATOM 122 CG PHE A 12 1.756 -9.730 0.346 1.00 0.00 C ATOM 123 CD1 PHE A 12 0.998 -9.937 -0.795 1.00 0.00 C ATOM 124 CD2 PHE A 12 3.080 -9.348 0.205 1.00 0.00 C ATOM 125 CE1 PHE A 12 1.550 -9.767 -2.051 1.00 0.00 C ATOM 126 CE2 PHE A 12 3.638 -9.177 -1.048 1.00 0.00 C ATOM 127 CZ PHE A 12 2.871 -9.386 -2.177 1.00 0.00 C ATOM 0 H PHE A 12 -0.587 -8.580 0.112 1.00 0.00 H new ATOM 0 HA PHE A 12 -0.351 -9.115 3.018 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.950 -9.903 2.454 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.686 -10.899 1.760 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.036 -10.235 -0.702 1.00 0.00 H new ATOM 0 HD2 PHE A 12 3.684 -9.182 1.085 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.949 -9.932 -2.933 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.672 -8.880 -1.144 1.00 0.00 H new ATOM 0 HZ PHE A 12 3.304 -9.252 -3.157 1.00 0.00 H new ATOM 137 N CYS A 13 1.179 -7.170 3.456 1.00 0.00 N ATOM 138 CA CYS A 13 1.840 -5.902 3.742 1.00 0.00 C ATOM 139 C CYS A 13 3.248 -5.878 3.156 1.00 0.00 C ATOM 140 O CYS A 13 3.965 -6.877 3.196 1.00 0.00 O ATOM 141 CB CYS A 13 1.899 -5.664 5.252 1.00 0.00 C ATOM 142 SG CYS A 13 2.443 -3.990 5.720 1.00 0.00 S ATOM 0 H CYS A 13 1.043 -7.768 4.271 1.00 0.00 H new ATOM 0 HA CYS A 13 1.260 -5.105 3.278 1.00 0.00 H new ATOM 0 HB2 CYS A 13 0.912 -5.846 5.676 1.00 0.00 H new ATOM 0 HB3 CYS A 13 2.576 -6.392 5.698 1.00 0.00 H new ATOM 147 N ASN A 14 3.638 -4.729 2.613 1.00 0.00 N ATOM 148 CA ASN A 14 4.960 -4.575 2.018 1.00 0.00 C ATOM 149 C ASN A 14 5.997 -4.222 3.081 1.00 0.00 C ATOM 150 O ASN A 14 7.029 -4.881 3.197 1.00 0.00 O ATOM 151 CB ASN A 14 4.933 -3.492 0.938 1.00 0.00 C ATOM 152 CG ASN A 14 4.621 -2.119 1.502 1.00 0.00 C ATOM 153 OD1 ASN A 14 5.485 -1.464 2.086 1.00 0.00 O ATOM 154 ND2 ASN A 14 3.380 -1.678 1.331 1.00 0.00 N ATOM 0 H ASN A 14 3.057 -3.891 2.573 1.00 0.00 H new ATOM 0 HA ASN A 14 5.239 -5.526 1.564 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.898 -3.463 0.432 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.187 -3.751 0.187 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.110 -0.762 1.690 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.697 -2.255 0.841 1.00 0.00 H new ATOM 161 N GLU A 15 5.712 -3.179 3.855 1.00 0.00 N ATOM 162 CA GLU A 15 6.620 -2.740 4.908 1.00 0.00 C ATOM 163 C GLU A 15 6.934 -3.884 5.868 1.00 0.00 C ATOM 164 O GLU A 15 8.097 -4.171 6.151 1.00 0.00 O ATOM 165 CB GLU A 15 6.013 -1.565 5.678 1.00 0.00 C ATOM 166 CG GLU A 15 5.660 -0.378 4.798 1.00 0.00 C ATOM 167 CD GLU A 15 4.287 -0.507 4.167 1.00 0.00 C ATOM 168 OE1 GLU A 15 3.466 -1.291 4.687 1.00 0.00 O ATOM 169 OE2 GLU A 15 4.035 0.176 3.152 1.00 0.00 O ATOM 0 H GLU A 15 4.861 -2.623 3.773 1.00 0.00 H new ATOM 0 HA GLU A 15 7.550 -2.417 4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 15 5.114 -1.905 6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.717 -1.241 6.445 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.698 0.535 5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.409 -0.278 4.012 1.00 0.00 H new ATOM 176 N CYS A 16 5.888 -4.534 6.366 1.00 0.00 N ATOM 177 CA CYS A 16 6.049 -5.646 7.295 1.00 0.00 C ATOM 178 C CYS A 16 5.484 -6.935 6.705 1.00 0.00 C ATOM 179 O CYS A 16 4.912 -6.932 5.614 1.00 0.00 O ATOM 180 CB CYS A 16 5.356 -5.333 8.623 1.00 0.00 C ATOM 181 SG CYS A 16 3.582 -5.749 8.651 1.00 0.00 S ATOM 0 H CYS A 16 4.919 -4.310 6.142 1.00 0.00 H new ATOM 0 HA CYS A 16 7.115 -5.786 7.473 1.00 0.00 H new ATOM 0 HB2 CYS A 16 5.859 -5.879 9.421 1.00 0.00 H new ATOM 0 HB3 CYS A 16 5.473 -4.271 8.840 1.00 0.00 H new ATOM 186 N ASP A 17 5.648 -8.034 7.432 1.00 0.00 N ATOM 187 CA ASP A 17 5.153 -9.330 6.982 1.00 0.00 C ATOM 188 C ASP A 17 3.794 -9.638 7.603 1.00 0.00 C ATOM 189 O ASP A 17 3.667 -9.740 8.824 1.00 0.00 O ATOM 190 CB ASP A 17 6.152 -10.432 7.338 1.00 0.00 C ATOM 191 CG ASP A 17 7.508 -10.214 6.696 1.00 0.00 C ATOM 192 OD1 ASP A 17 7.573 -9.494 5.678 1.00 0.00 O ATOM 193 OD2 ASP A 17 8.504 -10.764 7.211 1.00 0.00 O ATOM 0 H ASP A 17 6.120 -8.054 8.336 1.00 0.00 H new ATOM 0 HA ASP A 17 5.037 -9.291 5.899 1.00 0.00 H new ATOM 0 HB2 ASP A 17 6.269 -10.476 8.421 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.754 -11.396 7.021 1.00 0.00 H new ATOM 198 N CYS A 18 2.782 -9.785 6.755 1.00 0.00 N ATOM 199 CA CYS A 18 1.432 -10.079 7.221 1.00 0.00 C ATOM 200 C CYS A 18 0.538 -10.506 6.061 1.00 0.00 C ATOM 201 O CYS A 18 0.908 -10.365 4.895 1.00 0.00 O ATOM 202 CB CYS A 18 0.833 -8.858 7.920 1.00 0.00 C ATOM 203 SG CYS A 18 -0.534 -9.245 9.039 1.00 0.00 S ATOM 0 H CYS A 18 2.871 -9.705 5.742 1.00 0.00 H new ATOM 0 HA CYS A 18 1.491 -10.902 7.933 1.00 0.00 H new ATOM 0 HB2 CYS A 18 1.618 -8.354 8.483 1.00 0.00 H new ATOM 0 HB3 CYS A 18 0.482 -8.156 7.164 1.00 0.00 H new ATOM 0 HG CYS A 18 -1.544 -8.470 8.775 1.00 0.00 H new ATOM 209 N ARG A 19 -0.639 -11.028 6.389 1.00 0.00 N ATOM 210 CA ARG A 19 -1.585 -11.478 5.374 1.00 0.00 C ATOM 211 C ARG A 19 -3.015 -11.118 5.766 1.00 0.00 C ATOM 212 O ARG A 19 -3.389 -11.201 6.936 1.00 0.00 O ATOM 213 CB ARG A 19 -1.466 -12.990 5.170 1.00 0.00 C ATOM 214 CG ARG A 19 -0.053 -13.453 4.856 1.00 0.00 C ATOM 215 CD ARG A 19 0.215 -13.447 3.360 1.00 0.00 C ATOM 216 NE ARG A 19 -0.380 -14.601 2.692 1.00 0.00 N ATOM 217 CZ ARG A 19 -0.029 -15.009 1.477 1.00 0.00 C ATOM 218 NH1 ARG A 19 0.909 -14.360 0.801 1.00 0.00 N ATOM 219 NH2 ARG A 19 -0.617 -16.069 0.937 1.00 0.00 N ATOM 0 H ARG A 19 -0.961 -11.150 7.349 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.344 -10.972 4.439 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.814 -13.498 6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.127 -13.292 4.357 1.00 0.00 H new ATOM 0 HG2 ARG A 19 0.664 -12.803 5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.098 -14.458 5.250 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.184 -12.531 2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.291 -13.442 3.185 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.105 -15.123 3.185 1.00 0.00 H new ATOM 0 HH11 ARG A 19 1.363 -13.545 1.213 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.176 -14.676 -0.131 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.339 -16.571 1.455 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.347 -16.382 0.004 1.00 0.00 H new ATOM 233 N PHE A 20 -3.810 -10.716 4.779 1.00 0.00 N ATOM 234 CA PHE A 20 -5.198 -10.341 5.021 1.00 0.00 C ATOM 235 C PHE A 20 -6.112 -10.914 3.941 1.00 0.00 C ATOM 236 O PHE A 20 -5.693 -11.113 2.801 1.00 0.00 O ATOM 237 CB PHE A 20 -5.337 -8.818 5.067 1.00 0.00 C ATOM 238 CG PHE A 20 -4.361 -8.155 5.997 1.00 0.00 C ATOM 239 CD1 PHE A 20 -4.670 -7.980 7.336 1.00 0.00 C ATOM 240 CD2 PHE A 20 -3.135 -7.707 5.532 1.00 0.00 C ATOM 241 CE1 PHE A 20 -3.774 -7.370 8.194 1.00 0.00 C ATOM 242 CE2 PHE A 20 -2.235 -7.097 6.385 1.00 0.00 C ATOM 243 CZ PHE A 20 -2.555 -6.929 7.718 1.00 0.00 C ATOM 0 H PHE A 20 -3.517 -10.642 3.805 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.497 -10.755 5.984 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.199 -8.418 4.063 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -6.351 -8.563 5.375 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -5.621 -8.324 7.714 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.880 -7.836 4.491 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.027 -7.238 9.236 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.283 -6.752 6.010 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.853 -6.454 8.387 1.00 0.00 H new ATOM 253 N SER A 21 -7.361 -11.176 4.310 1.00 0.00 N ATOM 254 CA SER A 21 -8.334 -11.730 3.375 1.00 0.00 C ATOM 255 C SER A 21 -8.944 -10.630 2.511 1.00 0.00 C ATOM 256 O SER A 21 -9.058 -10.775 1.294 1.00 0.00 O ATOM 257 CB SER A 21 -9.438 -12.470 4.133 1.00 0.00 C ATOM 258 OG SER A 21 -9.990 -13.509 3.344 1.00 0.00 O ATOM 0 H SER A 21 -7.724 -11.014 5.249 1.00 0.00 H new ATOM 0 HA SER A 21 -7.816 -12.434 2.724 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.034 -12.886 5.056 1.00 0.00 H new ATOM 0 HB3 SER A 21 -10.222 -11.768 4.416 1.00 0.00 H new ATOM 0 HG SER A 21 -10.692 -13.968 3.852 1.00 0.00 H new ATOM 264 N GLU A 22 -9.334 -9.532 3.150 1.00 0.00 N ATOM 265 CA GLU A 22 -9.933 -8.408 2.440 1.00 0.00 C ATOM 266 C GLU A 22 -8.866 -7.408 2.004 1.00 0.00 C ATOM 267 O GLU A 22 -7.703 -7.518 2.392 1.00 0.00 O ATOM 268 CB GLU A 22 -10.970 -7.712 3.324 1.00 0.00 C ATOM 269 CG GLU A 22 -12.037 -6.967 2.540 1.00 0.00 C ATOM 270 CD GLU A 22 -13.294 -6.723 3.352 1.00 0.00 C ATOM 271 OE1 GLU A 22 -13.585 -7.538 4.253 1.00 0.00 O ATOM 272 OE2 GLU A 22 -13.987 -5.719 3.088 1.00 0.00 O ATOM 0 H GLU A 22 -9.246 -9.397 4.157 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.427 -8.796 1.549 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.451 -8.456 3.959 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.460 -7.010 3.984 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.635 -6.011 2.204 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.291 -7.538 1.647 1.00 0.00 H new ATOM 279 N GLU A 23 -9.271 -6.434 1.195 1.00 0.00 N ATOM 280 CA GLU A 23 -8.349 -5.416 0.705 1.00 0.00 C ATOM 281 C GLU A 23 -8.223 -4.270 1.705 1.00 0.00 C ATOM 282 O GLU A 23 -7.212 -3.569 1.738 1.00 0.00 O ATOM 283 CB GLU A 23 -8.820 -4.878 -0.647 1.00 0.00 C ATOM 284 CG GLU A 23 -8.108 -3.607 -1.078 1.00 0.00 C ATOM 285 CD GLU A 23 -8.459 -3.192 -2.494 1.00 0.00 C ATOM 286 OE1 GLU A 23 -8.489 -4.071 -3.380 1.00 0.00 O ATOM 287 OE2 GLU A 23 -8.706 -1.988 -2.715 1.00 0.00 O ATOM 0 H GLU A 23 -10.230 -6.328 0.865 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.369 -5.878 0.582 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.668 -5.645 -1.407 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.892 -4.685 -0.598 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.367 -2.800 -0.392 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.031 -3.756 -1.004 1.00 0.00 H new ATOM 294 N ALA A 24 -9.258 -4.086 2.519 1.00 0.00 N ATOM 295 CA ALA A 24 -9.264 -3.027 3.520 1.00 0.00 C ATOM 296 C ALA A 24 -8.337 -3.366 4.682 1.00 0.00 C ATOM 297 O ALA A 24 -7.472 -2.571 5.052 1.00 0.00 O ATOM 298 CB ALA A 24 -10.679 -2.784 4.024 1.00 0.00 C ATOM 0 H ALA A 24 -10.103 -4.657 2.504 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.897 -2.115 3.050 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -10.668 -1.990 4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -11.316 -2.489 3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -11.068 -3.699 4.472 1.00 0.00 H new ATOM 304 N SER A 25 -8.523 -4.550 5.256 1.00 0.00 N ATOM 305 CA SER A 25 -7.706 -4.992 6.380 1.00 0.00 C ATOM 306 C SER A 25 -6.236 -4.656 6.149 1.00 0.00 C ATOM 307 O SER A 25 -5.472 -4.474 7.097 1.00 0.00 O ATOM 308 CB SER A 25 -7.870 -6.498 6.596 1.00 0.00 C ATOM 309 OG SER A 25 -8.098 -7.167 5.368 1.00 0.00 O ATOM 0 H SER A 25 -9.233 -5.221 4.961 1.00 0.00 H new ATOM 0 HA SER A 25 -8.044 -4.466 7.272 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.976 -6.900 7.072 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.703 -6.683 7.275 1.00 0.00 H new ATOM 0 HG SER A 25 -7.433 -6.878 4.709 1.00 0.00 H new ATOM 315 N LEU A 26 -5.847 -4.577 4.881 1.00 0.00 N ATOM 316 CA LEU A 26 -4.468 -4.263 4.522 1.00 0.00 C ATOM 317 C LEU A 26 -4.192 -2.771 4.675 1.00 0.00 C ATOM 318 O LEU A 26 -3.337 -2.363 5.462 1.00 0.00 O ATOM 319 CB LEU A 26 -4.182 -4.702 3.085 1.00 0.00 C ATOM 320 CG LEU A 26 -2.873 -4.197 2.477 1.00 0.00 C ATOM 321 CD1 LEU A 26 -1.683 -4.898 3.113 1.00 0.00 C ATOM 322 CD2 LEU A 26 -2.871 -4.401 0.969 1.00 0.00 C ATOM 0 H LEU A 26 -6.467 -4.726 4.085 1.00 0.00 H new ATOM 0 HA LEU A 26 -3.809 -4.807 5.199 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.178 -5.792 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.005 -4.368 2.454 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.790 -3.129 2.679 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.761 -4.526 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.674 -4.700 4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.760 -5.972 2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.932 -4.036 0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.978 -5.462 0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.702 -3.851 0.526 1.00 0.00 H new ATOM 334 N LYS A 27 -4.923 -1.958 3.919 1.00 0.00 N ATOM 335 CA LYS A 27 -4.760 -0.510 3.972 1.00 0.00 C ATOM 336 C LYS A 27 -4.867 -0.003 5.406 1.00 0.00 C ATOM 337 O LYS A 27 -4.003 0.735 5.879 1.00 0.00 O ATOM 338 CB LYS A 27 -5.814 0.174 3.098 1.00 0.00 C ATOM 339 CG LYS A 27 -7.091 0.519 3.843 1.00 0.00 C ATOM 340 CD LYS A 27 -8.053 1.305 2.966 1.00 0.00 C ATOM 341 CE LYS A 27 -8.590 0.453 1.826 1.00 0.00 C ATOM 342 NZ LYS A 27 -9.376 1.261 0.853 1.00 0.00 N ATOM 0 H LYS A 27 -5.635 -2.278 3.262 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.768 -0.266 3.592 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.390 1.087 2.679 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.057 -0.478 2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.573 -0.397 4.184 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.849 1.101 4.732 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.883 1.670 3.571 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.545 2.180 2.560 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.759 -0.029 1.311 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.218 -0.341 2.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.725 0.645 0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.183 1.701 1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.770 2.003 0.448 1.00 0.00 H new ATOM 356 N ARG A 28 -5.932 -0.404 6.093 1.00 0.00 N ATOM 357 CA ARG A 28 -6.151 0.011 7.474 1.00 0.00 C ATOM 358 C ARG A 28 -4.960 -0.367 8.350 1.00 0.00 C ATOM 359 O ARG A 28 -4.451 0.455 9.112 1.00 0.00 O ATOM 360 CB ARG A 28 -7.427 -0.629 8.024 1.00 0.00 C ATOM 361 CG ARG A 28 -8.051 0.148 9.172 1.00 0.00 C ATOM 362 CD ARG A 28 -8.871 1.325 8.667 1.00 0.00 C ATOM 363 NE ARG A 28 -9.741 1.871 9.705 1.00 0.00 N ATOM 364 CZ ARG A 28 -10.917 1.346 10.030 1.00 0.00 C ATOM 365 NH1 ARG A 28 -11.361 0.266 9.401 1.00 0.00 N ATOM 366 NH2 ARG A 28 -11.651 1.900 10.986 1.00 0.00 N ATOM 0 H ARG A 28 -6.656 -1.015 5.716 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.261 1.095 7.489 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.155 -0.718 7.218 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.200 -1.640 8.362 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.687 -0.515 9.758 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.267 0.508 9.838 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.201 2.106 8.308 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.475 1.008 7.817 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.428 2.701 10.208 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.799 -0.163 8.666 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.264 -0.135 9.652 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.312 2.730 11.472 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.554 1.496 11.235 1.00 0.00 H new ATOM 380 N HIS A 29 -4.522 -1.617 8.237 1.00 0.00 N ATOM 381 CA HIS A 29 -3.391 -2.104 9.019 1.00 0.00 C ATOM 382 C HIS A 29 -2.163 -1.225 8.804 1.00 0.00 C ATOM 383 O HIS A 29 -1.486 -0.842 9.758 1.00 0.00 O ATOM 384 CB HIS A 29 -3.070 -3.551 8.643 1.00 0.00 C ATOM 385 CG HIS A 29 -1.644 -3.933 8.896 1.00 0.00 C ATOM 386 ND1 HIS A 29 -1.247 -4.684 9.982 1.00 0.00 N ATOM 387 CD2 HIS A 29 -0.517 -3.664 8.194 1.00 0.00 C ATOM 388 CE1 HIS A 29 0.062 -4.859 9.939 1.00 0.00 C ATOM 389 NE2 HIS A 29 0.529 -4.251 8.863 1.00 0.00 N ATOM 0 H HIS A 29 -4.933 -2.311 7.612 1.00 0.00 H new ATOM 0 HA HIS A 29 -3.665 -2.063 10.073 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.722 -4.218 9.208 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.296 -3.702 7.588 1.00 0.00 H new ATOM 0 HD1 HIS A 29 -1.867 -5.048 10.706 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.453 -3.094 7.279 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.650 -5.406 10.661 1.00 0.00 H new ATOM 397 N THR A 30 -1.880 -0.910 7.544 1.00 0.00 N ATOM 398 CA THR A 30 -0.732 -0.078 7.204 1.00 0.00 C ATOM 399 C THR A 30 -0.838 1.297 7.853 1.00 0.00 C ATOM 400 O THR A 30 0.127 1.796 8.434 1.00 0.00 O ATOM 401 CB THR A 30 -0.597 0.096 5.679 1.00 0.00 C ATOM 402 OG1 THR A 30 -0.683 -1.178 5.031 1.00 0.00 O ATOM 403 CG2 THR A 30 0.723 0.762 5.325 1.00 0.00 C ATOM 0 H THR A 30 -2.430 -1.218 6.742 1.00 0.00 H new ATOM 0 HA THR A 30 0.153 -0.589 7.584 1.00 0.00 H new ATOM 0 HB THR A 30 -1.411 0.734 5.335 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.612 -1.490 5.046 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.795 0.874 4.243 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.773 1.744 5.796 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.548 0.146 5.682 1.00 0.00 H new ATOM 411 N LEU A 31 -2.015 1.905 7.752 1.00 0.00 N ATOM 412 CA LEU A 31 -2.247 3.223 8.331 1.00 0.00 C ATOM 413 C LEU A 31 -1.977 3.214 9.833 1.00 0.00 C ATOM 414 O LEU A 31 -1.198 4.023 10.337 1.00 0.00 O ATOM 415 CB LEU A 31 -3.683 3.674 8.063 1.00 0.00 C ATOM 416 CG LEU A 31 -3.910 4.457 6.769 1.00 0.00 C ATOM 417 CD1 LEU A 31 -3.505 3.624 5.563 1.00 0.00 C ATOM 418 CD2 LEU A 31 -5.365 4.891 6.656 1.00 0.00 C ATOM 0 H LEU A 31 -2.823 1.506 7.275 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.558 3.925 7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.323 2.792 8.047 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.011 4.291 8.900 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.286 5.351 6.793 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.674 4.197 4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.449 3.364 5.638 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.102 2.712 5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.508 5.447 5.729 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.008 4.011 6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.622 5.526 7.503 1.00 0.00 H new ATOM 430 N GLN A 32 -2.623 2.292 10.539 1.00 0.00 N ATOM 431 CA GLN A 32 -2.451 2.177 11.983 1.00 0.00 C ATOM 432 C GLN A 32 -1.074 1.618 12.324 1.00 0.00 C ATOM 433 O GLN A 32 -0.256 2.292 12.951 1.00 0.00 O ATOM 434 CB GLN A 32 -3.540 1.282 12.577 1.00 0.00 C ATOM 435 CG GLN A 32 -3.755 1.494 14.067 1.00 0.00 C ATOM 436 CD GLN A 32 -3.816 2.961 14.445 1.00 0.00 C ATOM 437 OE1 GLN A 32 -4.751 3.671 14.074 1.00 0.00 O ATOM 438 NE2 GLN A 32 -2.817 3.424 15.188 1.00 0.00 N ATOM 0 H GLN A 32 -3.270 1.614 10.136 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.535 3.174 12.415 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.477 1.468 12.053 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.278 0.239 12.401 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.681 1.006 14.370 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.947 1.014 14.619 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.062 2.800 15.473 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.805 4.403 15.473 1.00 0.00 H new ATOM 447 N THR A 33 -0.823 0.381 11.907 1.00 0.00 N ATOM 448 CA THR A 33 0.455 -0.269 12.169 1.00 0.00 C ATOM 449 C THR A 33 1.620 0.606 11.721 1.00 0.00 C ATOM 450 O THR A 33 2.548 0.861 12.488 1.00 0.00 O ATOM 451 CB THR A 33 0.548 -1.632 11.458 1.00 0.00 C ATOM 452 OG1 THR A 33 -0.607 -2.423 11.762 1.00 0.00 O ATOM 453 CG2 THR A 33 1.805 -2.378 11.879 1.00 0.00 C ATOM 0 H THR A 33 -1.488 -0.191 11.386 1.00 0.00 H new ATOM 0 HA THR A 33 0.515 -0.424 13.246 1.00 0.00 H new ATOM 0 HB THR A 33 0.594 -1.454 10.384 1.00 0.00 H new ATOM 0 HG1 THR A 33 -1.346 -2.162 11.174 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.848 -3.338 11.364 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.683 -1.787 11.620 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.785 -2.545 12.956 1.00 0.00 H new ATOM 461 N HIS A 34 1.564 1.063 10.474 1.00 0.00 N ATOM 462 CA HIS A 34 2.616 1.912 9.924 1.00 0.00 C ATOM 463 C HIS A 34 2.085 3.311 9.627 1.00 0.00 C ATOM 464 O HIS A 34 1.798 3.646 8.478 1.00 0.00 O ATOM 465 CB HIS A 34 3.188 1.290 8.650 1.00 0.00 C ATOM 466 CG HIS A 34 3.444 -0.181 8.764 1.00 0.00 C ATOM 467 ND1 HIS A 34 4.304 -0.725 9.694 1.00 0.00 N ATOM 468 CD2 HIS A 34 2.945 -1.224 8.060 1.00 0.00 C ATOM 469 CE1 HIS A 34 4.325 -2.039 9.555 1.00 0.00 C ATOM 470 NE2 HIS A 34 3.508 -2.367 8.571 1.00 0.00 N ATOM 0 H HIS A 34 0.803 0.860 9.826 1.00 0.00 H new ATOM 0 HA HIS A 34 3.409 1.994 10.667 1.00 0.00 H new ATOM 0 HB2 HIS A 34 2.496 1.467 7.827 1.00 0.00 H new ATOM 0 HB3 HIS A 34 4.121 1.794 8.397 1.00 0.00 H new ATOM 0 HD1 HIS A 34 4.840 -0.196 10.382 1.00 0.00 H new ATOM 0 HD2 HIS A 34 2.236 -1.167 7.247 1.00 0.00 H new ATOM 0 HE1 HIS A 34 4.911 -2.728 10.146 1.00 0.00 H new ATOM 478 N SER A 35 1.955 4.124 10.671 1.00 0.00 N ATOM 479 CA SER A 35 1.455 5.485 10.523 1.00 0.00 C ATOM 480 C SER A 35 2.562 6.423 10.052 1.00 0.00 C ATOM 481 O SER A 35 3.523 6.681 10.778 1.00 0.00 O ATOM 482 CB SER A 35 0.876 5.985 11.848 1.00 0.00 C ATOM 483 OG SER A 35 -0.027 7.057 11.638 1.00 0.00 O ATOM 0 H SER A 35 2.189 3.863 11.629 1.00 0.00 H new ATOM 0 HA SER A 35 0.667 5.476 9.770 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.364 5.168 12.356 1.00 0.00 H new ATOM 0 HB3 SER A 35 1.685 6.310 12.502 1.00 0.00 H new ATOM 0 HG SER A 35 -0.384 7.357 12.500 1.00 0.00 H new ATOM 489 N ASP A 36 2.420 6.930 8.833 1.00 0.00 N ATOM 490 CA ASP A 36 3.406 7.841 8.264 1.00 0.00 C ATOM 491 C ASP A 36 3.934 8.802 9.324 1.00 0.00 C ATOM 492 O ASP A 36 3.243 9.114 10.294 1.00 0.00 O ATOM 493 CB ASP A 36 2.796 8.628 7.103 1.00 0.00 C ATOM 494 CG ASP A 36 2.582 7.770 5.871 1.00 0.00 C ATOM 495 OD1 ASP A 36 3.570 7.195 5.369 1.00 0.00 O ATOM 496 OD2 ASP A 36 1.425 7.673 5.411 1.00 0.00 O ATOM 0 H ASP A 36 1.631 6.726 8.219 1.00 0.00 H new ATOM 0 HA ASP A 36 4.240 7.246 7.891 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.842 9.052 7.417 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.449 9.464 6.851 1.00 0.00 H new ATOM 501 N LYS A 37 5.164 9.267 9.134 1.00 0.00 N ATOM 502 CA LYS A 37 5.786 10.193 10.073 1.00 0.00 C ATOM 503 C LYS A 37 5.644 11.634 9.592 1.00 0.00 C ATOM 504 O LYS A 37 6.577 12.430 9.702 1.00 0.00 O ATOM 505 CB LYS A 37 7.266 9.849 10.256 1.00 0.00 C ATOM 506 CG LYS A 37 8.085 9.989 8.984 1.00 0.00 C ATOM 507 CD LYS A 37 9.540 10.304 9.289 1.00 0.00 C ATOM 508 CE LYS A 37 10.282 9.076 9.794 1.00 0.00 C ATOM 509 NZ LYS A 37 10.554 8.103 8.700 1.00 0.00 N ATOM 0 H LYS A 37 5.750 9.017 8.338 1.00 0.00 H new ATOM 0 HA LYS A 37 5.275 10.096 11.031 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.689 10.497 11.024 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.350 8.826 10.621 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.025 9.066 8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.663 10.780 8.364 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.028 10.681 8.390 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.593 11.096 10.037 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.224 9.383 10.250 1.00 0.00 H new ATOM 0 HE3 LYS A 37 9.694 8.591 10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 11.216 7.376 9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.664 7.652 8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 10.972 8.601 7.889 1.00 0.00 H new ATOM 523 N SER A 38 4.471 11.962 9.059 1.00 0.00 N ATOM 524 CA SER A 38 4.209 13.306 8.559 1.00 0.00 C ATOM 525 C SER A 38 4.326 14.336 9.679 1.00 0.00 C ATOM 526 O SER A 38 3.909 14.089 10.810 1.00 0.00 O ATOM 527 CB SER A 38 2.815 13.377 7.931 1.00 0.00 C ATOM 528 OG SER A 38 2.516 14.693 7.499 1.00 0.00 O ATOM 0 H SER A 38 3.688 11.316 8.963 1.00 0.00 H new ATOM 0 HA SER A 38 4.956 13.535 7.799 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.759 12.692 7.085 1.00 0.00 H new ATOM 0 HB3 SER A 38 2.069 13.051 8.656 1.00 0.00 H new ATOM 0 HG SER A 38 1.621 14.711 7.100 1.00 0.00 H new ATOM 534 N GLY A 39 4.899 15.491 9.355 1.00 0.00 N ATOM 535 CA GLY A 39 5.062 16.541 10.344 1.00 0.00 C ATOM 536 C GLY A 39 6.053 17.601 9.905 1.00 0.00 C ATOM 537 O GLY A 39 7.013 17.325 9.186 1.00 0.00 O ATOM 0 H GLY A 39 5.253 15.718 8.426 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.096 17.008 10.536 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.397 16.102 11.284 1.00 0.00 H new ATOM 541 N PRO A 40 5.822 18.848 10.342 1.00 0.00 N ATOM 542 CA PRO A 40 6.690 19.980 10.001 1.00 0.00 C ATOM 543 C PRO A 40 8.053 19.889 10.679 1.00 0.00 C ATOM 544 O PRO A 40 8.902 20.764 10.507 1.00 0.00 O ATOM 545 CB PRO A 40 5.914 21.192 10.521 1.00 0.00 C ATOM 546 CG PRO A 40 5.055 20.652 11.612 1.00 0.00 C ATOM 547 CD PRO A 40 4.697 19.250 11.202 1.00 0.00 C ATOM 0 HA PRO A 40 6.905 20.021 8.933 1.00 0.00 H new ATOM 0 HB2 PRO A 40 6.588 21.964 10.893 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.314 21.646 9.732 1.00 0.00 H new ATOM 0 HG2 PRO A 40 5.585 20.657 12.564 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.160 21.261 11.742 1.00 0.00 H new ATOM 0 HD2 PRO A 40 4.596 18.592 12.065 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.749 19.218 10.665 1.00 0.00 H new ATOM 555 N SER A 41 8.257 18.825 11.449 1.00 0.00 N ATOM 556 CA SER A 41 9.516 18.622 12.155 1.00 0.00 C ATOM 557 C SER A 41 10.521 17.886 11.274 1.00 0.00 C ATOM 558 O SER A 41 11.596 18.404 10.973 1.00 0.00 O ATOM 559 CB SER A 41 9.280 17.836 13.446 1.00 0.00 C ATOM 560 OG SER A 41 10.505 17.394 14.005 1.00 0.00 O ATOM 0 H SER A 41 7.566 18.090 11.600 1.00 0.00 H new ATOM 0 HA SER A 41 9.926 19.601 12.404 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.753 18.463 14.166 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.640 16.978 13.241 1.00 0.00 H new ATOM 0 HG SER A 41 10.327 16.896 14.830 1.00 0.00 H new ATOM 566 N SER A 42 10.162 16.674 10.864 1.00 0.00 N ATOM 567 CA SER A 42 11.032 15.863 10.020 1.00 0.00 C ATOM 568 C SER A 42 11.787 16.735 9.022 1.00 0.00 C ATOM 569 O SER A 42 12.993 16.582 8.833 1.00 0.00 O ATOM 570 CB SER A 42 10.215 14.806 9.275 1.00 0.00 C ATOM 571 OG SER A 42 9.321 15.407 8.355 1.00 0.00 O ATOM 0 H SER A 42 9.274 16.232 11.103 1.00 0.00 H new ATOM 0 HA SER A 42 11.758 15.364 10.662 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.886 14.130 8.746 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.655 14.204 9.991 1.00 0.00 H new ATOM 0 HG SER A 42 8.680 15.967 8.840 1.00 0.00 H new ATOM 577 N GLY A 43 11.066 17.653 8.383 1.00 0.00 N ATOM 578 CA GLY A 43 11.683 18.537 7.412 1.00 0.00 C ATOM 579 C GLY A 43 11.298 19.988 7.621 1.00 0.00 C ATOM 580 O GLY A 43 11.993 20.692 8.351 1.00 0.00 O ATOM 0 H GLY A 43 10.066 17.799 8.521 1.00 0.00 H new ATOM 0 HA2 GLY A 43 12.767 18.440 7.474 1.00 0.00 H new ATOM 0 HA3 GLY A 43 11.392 18.228 6.408 1.00 0.00 H new TER 584 GLY A 43 HETATM 585 ZN ZN A 201 2.374 -3.893 8.017 1.00 0.00 ZN