USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 426 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 23 HIS HE2 : A 23 HIS NE2 : A 56 ZNZN :(H bumps) USER MOD NoAdj-H: A 44 HIS HE2 : A 44 HIS NE2 : A 57 ZNZN :(H bumps) USER MOD Set 1.1: A 8 ASN : amide:sc= 0.924 K(o=1.9,f=-8.6!) USER MOD Set 1.2: A 11 LYS NZ :NH3+ 164:sc= 0.96 (180deg=-0.645) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -137:sc= 0.0625 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.0074) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.617 X(o=-0.62,f=-1) USER MOD Single : A 9 GLN : amide:sc= -0.0369 X(o=-0.037,f=0) USER MOD Single : A 12 THR OG1 : rot 24:sc= -0.309! USER MOD Single : A 14 LYS NZ :NH3+ -129:sc= 1.18 (180deg=-0.00436) USER MOD Single : A 17 ASN : amide:sc= -0.748 X(o=-0.75,f=-1.2!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0.00377 X(o=0.0038,f=0) USER MOD Single : A 33 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 38 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00499) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 178:sc= 0 (180deg=-0.0054) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0541 USER MOD Single : A 53 GLN : amide:sc= -0.0994 K(o=-0.099,f=-1.5!) USER MOD Single : A 55 ASN :FLIP amide:sc=-0.00492 F(o=-0.71,f=-0.0049) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.325 0.000 0.000 1.00 1.00 N ATOM 2 CA MET A 1 2.073 0.000 -1.245 1.00 1.00 C ATOM 3 C MET A 1 1.902 -1.327 -1.988 1.00 1.00 C ATOM 4 O MET A 1 1.351 -2.281 -1.442 1.00 1.00 O ATOM 5 CB MET A 1 3.556 0.233 -0.950 1.00 1.00 C ATOM 6 CG MET A 1 4.185 1.158 -1.994 1.00 1.00 C ATOM 7 SD MET A 1 4.625 2.716 -1.242 1.00 1.00 S ATOM 8 CE MET A 1 3.041 3.537 -1.278 1.00 1.00 C ATOM 0 H1 MET A 1 0.841 0.914 0.114 1.00 1.00 H new ATOM 0 H2 MET A 1 0.620 -0.765 -0.018 1.00 1.00 H new ATOM 0 H3 MET A 1 1.977 -0.149 0.797 1.00 1.00 H new ATOM 0 HA MET A 1 1.689 0.801 -1.877 1.00 1.00 H new ATOM 0 HB2 MET A 1 3.669 0.669 0.042 1.00 1.00 H new ATOM 0 HB3 MET A 1 4.083 -0.721 -0.940 1.00 1.00 H new ATOM 0 HG2 MET A 1 5.071 0.688 -2.422 1.00 1.00 H new ATOM 0 HG3 MET A 1 3.485 1.325 -2.813 1.00 1.00 H new ATOM 0 HE1 MET A 1 3.137 4.531 -0.842 1.00 1.00 H new ATOM 0 HE2 MET A 1 2.700 3.624 -2.310 1.00 1.00 H new ATOM 0 HE3 MET A 1 2.318 2.957 -0.704 1.00 1.00 H new ATOM 18 N GLN A 2 2.386 -1.345 -3.221 1.00 1.00 N ATOM 19 CA GLN A 2 2.293 -2.539 -4.044 1.00 1.00 C ATOM 20 C GLN A 2 0.829 -2.868 -4.339 1.00 1.00 C ATOM 21 O GLN A 2 0.338 -2.604 -5.436 1.00 1.00 O ATOM 22 CB GLN A 2 2.997 -3.721 -3.376 1.00 1.00 C ATOM 23 CG GLN A 2 4.512 -3.509 -3.340 1.00 1.00 C ATOM 24 CD GLN A 2 5.255 -4.807 -3.662 1.00 1.00 C ATOM 25 OE1 GLN A 2 5.198 -5.329 -4.763 1.00 1.00 O ATOM 26 NE2 GLN A 2 5.955 -5.297 -2.642 1.00 1.00 N ATOM 0 H GLN A 2 2.844 -0.552 -3.670 1.00 1.00 H new ATOM 0 HA GLN A 2 2.799 -2.345 -4.990 1.00 1.00 H new ATOM 0 HB2 GLN A 2 2.620 -3.847 -2.361 1.00 1.00 H new ATOM 0 HB3 GLN A 2 2.768 -4.639 -3.918 1.00 1.00 H new ATOM 0 HG2 GLN A 2 4.792 -2.738 -4.058 1.00 1.00 H new ATOM 0 HG3 GLN A 2 4.809 -3.150 -2.355 1.00 1.00 H new ATOM 0 HE21 GLN A 2 5.960 -4.810 -1.746 1.00 1.00 H new ATOM 0 HE22 GLN A 2 6.487 -6.160 -2.756 1.00 1.00 H new ATOM 35 N LYS A 3 0.171 -3.440 -3.341 1.00 1.00 N ATOM 36 CA LYS A 3 -1.227 -3.808 -3.479 1.00 1.00 C ATOM 37 C LYS A 3 -2.102 -2.702 -2.887 1.00 1.00 C ATOM 38 O LYS A 3 -1.594 -1.763 -2.277 1.00 1.00 O ATOM 39 CB LYS A 3 -1.481 -5.188 -2.868 1.00 1.00 C ATOM 40 CG LYS A 3 -1.510 -5.113 -1.340 1.00 1.00 C ATOM 41 CD LYS A 3 -0.347 -5.898 -0.731 1.00 1.00 C ATOM 42 CE LYS A 3 0.041 -5.332 0.636 1.00 1.00 C ATOM 43 NZ LYS A 3 0.145 -6.417 1.637 1.00 1.00 N ATOM 0 H LYS A 3 0.581 -3.658 -2.433 1.00 1.00 H new ATOM 0 HA LYS A 3 -1.495 -3.897 -4.532 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -2.428 -5.583 -3.234 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -0.702 -5.880 -3.187 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -1.457 -4.072 -1.022 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -2.455 -5.511 -0.971 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -0.626 -6.947 -0.628 1.00 1.00 H new ATOM 0 HD3 LYS A 3 0.512 -5.861 -1.401 1.00 1.00 H new ATOM 0 HE2 LYS A 3 0.993 -4.806 0.561 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -0.702 -4.602 0.958 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 0.409 -6.015 2.559 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -0.772 -6.901 1.720 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 0.871 -7.099 1.336 1.00 1.00 H new ATOM 56 N GLY A 4 -3.404 -2.850 -3.086 1.00 1.00 N ATOM 57 CA GLY A 4 -4.355 -1.875 -2.579 1.00 1.00 C ATOM 58 C GLY A 4 -3.933 -0.453 -2.952 1.00 1.00 C ATOM 59 O GLY A 4 -2.910 -0.256 -3.607 1.00 1.00 O ATOM 0 H GLY A 4 -3.823 -3.631 -3.592 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -5.345 -2.083 -2.985 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -4.429 -1.964 -1.495 1.00 1.00 H new ATOM 63 N ASN A 5 -4.742 0.503 -2.519 1.00 1.00 N ATOM 64 CA ASN A 5 -4.466 1.902 -2.799 1.00 1.00 C ATOM 65 C ASN A 5 -5.556 2.769 -2.167 1.00 1.00 C ATOM 66 O ASN A 5 -5.260 3.671 -1.384 1.00 1.00 O ATOM 67 CB ASN A 5 -4.462 2.171 -4.305 1.00 1.00 C ATOM 68 CG ASN A 5 -3.034 2.347 -4.827 1.00 1.00 C ATOM 69 OD1 ASN A 5 -2.519 1.542 -5.585 1.00 1.00 O ATOM 70 ND2 ASN A 5 -2.425 3.442 -4.380 1.00 1.00 N ATOM 0 H ASN A 5 -5.589 0.336 -1.976 1.00 1.00 H new ATOM 0 HA ASN A 5 -3.486 2.142 -2.387 1.00 1.00 H new ATOM 0 HB2 ASN A 5 -4.944 1.345 -4.827 1.00 1.00 H new ATOM 0 HB3 ASN A 5 -5.044 3.067 -4.520 1.00 1.00 H new ATOM 0 HD21 ASN A 5 -1.469 3.649 -4.671 1.00 1.00 H new ATOM 0 HD22 ASN A 5 -2.914 4.075 -3.747 1.00 1.00 H new ATOM 77 N PHE A 6 -6.793 2.466 -2.529 1.00 1.00 N ATOM 78 CA PHE A 6 -7.929 3.206 -2.006 1.00 1.00 C ATOM 79 C PHE A 6 -7.755 3.496 -0.514 1.00 1.00 C ATOM 80 O PHE A 6 -7.854 2.591 0.313 1.00 1.00 O ATOM 81 CB PHE A 6 -9.165 2.327 -2.202 1.00 1.00 C ATOM 82 CG PHE A 6 -10.208 2.921 -3.151 1.00 1.00 C ATOM 83 CD1 PHE A 6 -10.656 4.190 -2.960 1.00 1.00 C ATOM 84 CD2 PHE A 6 -10.685 2.179 -4.187 1.00 1.00 C ATOM 85 CE1 PHE A 6 -11.624 4.742 -3.841 1.00 1.00 C ATOM 86 CE2 PHE A 6 -11.653 2.731 -5.068 1.00 1.00 C ATOM 87 CZ PHE A 6 -12.102 4.000 -4.877 1.00 1.00 C ATOM 0 H PHE A 6 -7.034 1.718 -3.179 1.00 1.00 H new ATOM 0 HA PHE A 6 -8.022 4.160 -2.525 1.00 1.00 H new ATOM 0 HB2 PHE A 6 -8.851 1.357 -2.586 1.00 1.00 H new ATOM 0 HB3 PHE A 6 -9.630 2.151 -1.232 1.00 1.00 H new ATOM 0 HD1 PHE A 6 -10.276 4.779 -2.138 1.00 1.00 H new ATOM 0 HD2 PHE A 6 -10.328 1.171 -4.339 1.00 1.00 H new ATOM 0 HE1 PHE A 6 -11.980 5.750 -3.689 1.00 1.00 H new ATOM 0 HE2 PHE A 6 -12.033 2.142 -5.890 1.00 1.00 H new ATOM 0 HZ PHE A 6 -12.838 4.419 -5.547 1.00 1.00 H new ATOM 97 N ARG A 7 -7.499 4.761 -0.215 1.00 1.00 N ATOM 98 CA ARG A 7 -7.310 5.181 1.163 1.00 1.00 C ATOM 99 C ARG A 7 -8.474 4.696 2.030 1.00 1.00 C ATOM 100 O ARG A 7 -8.280 3.894 2.942 1.00 1.00 O ATOM 101 CB ARG A 7 -7.207 6.704 1.265 1.00 1.00 C ATOM 102 CG ARG A 7 -6.712 7.129 2.649 1.00 1.00 C ATOM 103 CD ARG A 7 -7.055 8.594 2.929 1.00 1.00 C ATOM 104 NE ARG A 7 -8.483 8.718 3.297 1.00 1.00 N ATOM 105 CZ ARG A 7 -9.181 9.872 3.242 1.00 1.00 C ATOM 106 NH1 ARG A 7 -8.588 11.013 2.832 1.00 1.00 N ATOM 107 NH2 ARG A 7 -10.453 9.868 3.596 1.00 1.00 N ATOM 0 H ARG A 7 -7.418 5.509 -0.904 1.00 1.00 H new ATOM 0 HA ARG A 7 -6.379 4.741 1.519 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -6.526 7.078 0.501 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -8.181 7.152 1.070 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -7.164 6.494 3.411 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -5.633 6.986 2.713 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -6.429 8.975 3.736 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -6.844 9.200 2.048 1.00 1.00 H new ATOM 0 HE ARG A 7 -8.970 7.879 3.612 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -7.605 11.008 2.561 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -9.123 11.881 2.794 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -10.894 9.002 3.905 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -10.995 10.731 3.560 1.00 1.00 H new ATOM 120 N ASN A 8 -9.656 5.202 1.714 1.00 1.00 N ATOM 121 CA ASN A 8 -10.851 4.831 2.453 1.00 1.00 C ATOM 122 C ASN A 8 -10.698 5.262 3.913 1.00 1.00 C ATOM 123 O ASN A 8 -9.588 5.527 4.372 1.00 1.00 O ATOM 124 CB ASN A 8 -11.065 3.316 2.428 1.00 1.00 C ATOM 125 CG ASN A 8 -12.157 2.933 1.426 1.00 1.00 C ATOM 126 OD1 ASN A 8 -13.229 2.474 1.783 1.00 1.00 O ATOM 127 ND2 ASN A 8 -11.824 3.146 0.156 1.00 1.00 N ATOM 0 H ASN A 8 -9.812 5.866 0.956 1.00 1.00 H new ATOM 0 HA ASN A 8 -11.703 5.324 1.985 1.00 1.00 H new ATOM 0 HB2 ASN A 8 -10.132 2.818 2.163 1.00 1.00 H new ATOM 0 HB3 ASN A 8 -11.341 2.968 3.423 1.00 1.00 H new ATOM 0 HD21 ASN A 8 -12.484 2.922 -0.589 1.00 1.00 H new ATOM 0 HD22 ASN A 8 -10.909 3.533 -0.073 1.00 1.00 H new ATOM 134 N GLN A 9 -11.828 5.320 4.601 1.00 1.00 N ATOM 135 CA GLN A 9 -11.834 5.715 5.999 1.00 1.00 C ATOM 136 C GLN A 9 -12.865 4.897 6.778 1.00 1.00 C ATOM 137 O GLN A 9 -12.521 4.211 7.740 1.00 1.00 O ATOM 138 CB GLN A 9 -12.101 7.214 6.145 1.00 1.00 C ATOM 139 CG GLN A 9 -11.304 7.803 7.311 1.00 1.00 C ATOM 140 CD GLN A 9 -11.925 9.116 7.792 1.00 1.00 C ATOM 141 OE1 GLN A 9 -11.357 10.187 7.658 1.00 1.00 O ATOM 142 NE2 GLN A 9 -13.120 8.973 8.359 1.00 1.00 N ATOM 0 H GLN A 9 -12.747 5.100 4.216 1.00 1.00 H new ATOM 0 HA GLN A 9 -10.848 5.513 6.417 1.00 1.00 H new ATOM 0 HB2 GLN A 9 -11.833 7.726 5.221 1.00 1.00 H new ATOM 0 HB3 GLN A 9 -13.166 7.383 6.306 1.00 1.00 H new ATOM 0 HG2 GLN A 9 -11.274 7.088 8.133 1.00 1.00 H new ATOM 0 HG3 GLN A 9 -10.273 7.976 7.001 1.00 1.00 H new ATOM 0 HE21 GLN A 9 -13.539 8.046 8.439 1.00 1.00 H new ATOM 0 HE22 GLN A 9 -13.617 9.790 8.713 1.00 1.00 H new ATOM 151 N ARG A 10 -14.110 4.995 6.334 1.00 1.00 N ATOM 152 CA ARG A 10 -15.194 4.272 6.977 1.00 1.00 C ATOM 153 C ARG A 10 -16.519 4.562 6.269 1.00 1.00 C ATOM 154 O ARG A 10 -16.600 5.472 5.445 1.00 1.00 O ATOM 155 CB ARG A 10 -15.316 4.661 8.452 1.00 1.00 C ATOM 156 CG ARG A 10 -15.905 6.065 8.602 1.00 1.00 C ATOM 157 CD ARG A 10 -15.653 6.618 10.006 1.00 1.00 C ATOM 158 NE ARG A 10 -16.938 6.785 10.721 1.00 1.00 N ATOM 159 CZ ARG A 10 -17.126 7.637 11.752 1.00 1.00 C ATOM 160 NH1 ARG A 10 -16.111 8.408 12.197 1.00 1.00 N ATOM 161 NH2 ARG A 10 -18.316 7.705 12.318 1.00 1.00 N ATOM 0 H ARG A 10 -14.392 5.565 5.536 1.00 1.00 H new ATOM 0 HA ARG A 10 -14.968 3.208 6.911 1.00 1.00 H new ATOM 0 HB2 ARG A 10 -15.948 3.940 8.971 1.00 1.00 H new ATOM 0 HB3 ARG A 10 -14.334 4.622 8.924 1.00 1.00 H new ATOM 0 HG2 ARG A 10 -15.462 6.730 7.860 1.00 1.00 H new ATOM 0 HG3 ARG A 10 -16.977 6.037 8.405 1.00 1.00 H new ATOM 0 HD2 ARG A 10 -15.003 5.941 10.561 1.00 1.00 H new ATOM 0 HD3 ARG A 10 -15.136 7.575 9.942 1.00 1.00 H new ATOM 0 HE ARG A 10 -17.731 6.221 10.416 1.00 1.00 H new ATOM 0 HH11 ARG A 10 -15.194 8.350 11.754 1.00 1.00 H new ATOM 0 HH12 ARG A 10 -16.261 9.049 12.976 1.00 1.00 H new ATOM 0 HH21 ARG A 10 -19.078 7.119 11.976 1.00 1.00 H new ATOM 0 HH22 ARG A 10 -18.474 8.343 13.098 1.00 1.00 H new ATOM 174 N LYS A 11 -17.524 3.772 6.616 1.00 1.00 N ATOM 175 CA LYS A 11 -18.841 3.932 6.024 1.00 1.00 C ATOM 176 C LYS A 11 -19.817 2.963 6.693 1.00 1.00 C ATOM 177 O LYS A 11 -20.954 3.327 6.991 1.00 1.00 O ATOM 178 CB LYS A 11 -18.767 3.779 4.503 1.00 1.00 C ATOM 179 CG LYS A 11 -18.269 2.385 4.116 1.00 1.00 C ATOM 180 CD LYS A 11 -18.199 2.231 2.595 1.00 1.00 C ATOM 181 CE LYS A 11 -16.917 2.856 2.040 1.00 1.00 C ATOM 182 NZ LYS A 11 -15.730 2.105 2.506 1.00 1.00 N ATOM 0 H LYS A 11 -17.453 3.019 7.300 1.00 1.00 H new ATOM 0 HA LYS A 11 -19.219 4.939 6.202 1.00 1.00 H new ATOM 0 HB2 LYS A 11 -19.752 3.951 4.068 1.00 1.00 H new ATOM 0 HB3 LYS A 11 -18.100 4.535 4.090 1.00 1.00 H new ATOM 0 HG2 LYS A 11 -17.283 2.214 4.548 1.00 1.00 H new ATOM 0 HG3 LYS A 11 -18.935 1.629 4.532 1.00 1.00 H new ATOM 0 HD2 LYS A 11 -18.237 1.174 2.331 1.00 1.00 H new ATOM 0 HD3 LYS A 11 -19.067 2.705 2.137 1.00 1.00 H new ATOM 0 HE2 LYS A 11 -16.949 2.858 0.950 1.00 1.00 H new ATOM 0 HE3 LYS A 11 -16.845 3.896 2.359 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 -14.908 2.359 1.922 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 -15.536 2.344 3.500 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 -15.911 1.084 2.424 1.00 1.00 H new ATOM 195 N THR A 12 -19.339 1.746 6.909 1.00 1.00 N ATOM 196 CA THR A 12 -20.155 0.721 7.537 1.00 1.00 C ATOM 197 C THR A 12 -21.556 0.705 6.922 1.00 1.00 C ATOM 198 O THR A 12 -21.788 1.316 5.880 1.00 1.00 O ATOM 199 CB THR A 12 -20.157 0.977 9.045 1.00 1.00 C ATOM 200 OG1 THR A 12 -20.681 2.296 9.174 1.00 1.00 O ATOM 201 CG2 THR A 12 -18.744 1.080 9.623 1.00 1.00 C ATOM 0 H THR A 12 -18.396 1.447 6.660 1.00 1.00 H new ATOM 0 HA THR A 12 -19.745 -0.274 7.362 1.00 1.00 H new ATOM 0 HB THR A 12 -20.698 0.175 9.548 1.00 1.00 H new ATOM 0 HG1 THR A 12 -21.228 2.509 8.389 1.00 1.00 H new ATOM 0 HG21 THR A 12 -18.802 1.262 10.696 1.00 1.00 H new ATOM 0 HG22 THR A 12 -18.208 0.148 9.441 1.00 1.00 H new ATOM 0 HG23 THR A 12 -18.214 1.903 9.144 1.00 1.00 H new ATOM 209 N VAL A 13 -22.454 -0.002 7.593 1.00 1.00 N ATOM 210 CA VAL A 13 -23.826 -0.106 7.126 1.00 1.00 C ATOM 211 C VAL A 13 -24.777 0.033 8.316 1.00 1.00 C ATOM 212 O VAL A 13 -24.401 -0.249 9.453 1.00 1.00 O ATOM 213 CB VAL A 13 -24.018 -1.415 6.357 1.00 1.00 C ATOM 214 CG1 VAL A 13 -23.252 -1.390 5.033 1.00 1.00 C ATOM 215 CG2 VAL A 13 -23.604 -2.617 7.208 1.00 1.00 C ATOM 0 H VAL A 13 -22.258 -0.508 8.456 1.00 1.00 H new ATOM 0 HA VAL A 13 -24.056 0.701 6.431 1.00 1.00 H new ATOM 0 HB VAL A 13 -25.079 -1.517 6.128 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -23.405 -2.332 4.506 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -23.615 -0.567 4.418 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -22.189 -1.253 5.230 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -23.750 -3.534 6.638 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -22.553 -2.524 7.482 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -24.213 -2.650 8.111 1.00 1.00 H new ATOM 225 N LYS A 14 -25.992 0.468 8.014 1.00 1.00 N ATOM 226 CA LYS A 14 -27.000 0.649 9.044 1.00 1.00 C ATOM 227 C LYS A 14 -28.259 -0.134 8.663 1.00 1.00 C ATOM 228 O LYS A 14 -28.609 -0.218 7.487 1.00 1.00 O ATOM 229 CB LYS A 14 -27.253 2.137 9.292 1.00 1.00 C ATOM 230 CG LYS A 14 -28.060 2.754 8.148 1.00 1.00 C ATOM 231 CD LYS A 14 -27.271 3.870 7.460 1.00 1.00 C ATOM 232 CE LYS A 14 -27.894 4.230 6.110 1.00 1.00 C ATOM 233 NZ LYS A 14 -29.191 4.916 6.304 1.00 1.00 N ATOM 0 H LYS A 14 -26.301 0.700 7.070 1.00 1.00 H new ATOM 0 HA LYS A 14 -26.649 0.247 9.994 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -27.790 2.267 10.232 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -26.302 2.659 9.394 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -28.315 1.983 7.421 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -28.999 3.152 8.534 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -27.248 4.752 8.100 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -26.238 3.554 7.315 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -27.216 4.874 5.550 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -28.039 3.327 5.517 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -29.919 4.452 5.724 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -29.464 4.866 7.306 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -29.103 5.912 6.018 1.00 1.00 H new ATOM 246 N CYS A 15 -28.904 -0.686 9.679 1.00 1.00 N ATOM 247 CA CYS A 15 -30.116 -1.459 9.465 1.00 1.00 C ATOM 248 C CYS A 15 -31.278 -0.484 9.265 1.00 1.00 C ATOM 249 O CYS A 15 -31.649 0.243 10.185 1.00 1.00 O ATOM 250 CB CYS A 15 -30.378 -2.430 10.618 1.00 1.00 C ATOM 251 SG CYS A 15 -31.851 -3.453 10.251 1.00 1.00 S ATOM 0 H CYS A 15 -28.611 -0.614 10.653 1.00 1.00 H new ATOM 0 HA CYS A 15 -30.004 -2.077 8.574 1.00 1.00 H new ATOM 0 HB2 CYS A 15 -29.509 -3.070 10.770 1.00 1.00 H new ATOM 0 HB3 CYS A 15 -30.531 -1.876 11.544 1.00 1.00 H new ATOM 256 N PHE A 16 -31.820 -0.500 8.056 1.00 1.00 N ATOM 257 CA PHE A 16 -32.933 0.373 7.723 1.00 1.00 C ATOM 258 C PHE A 16 -34.267 -0.266 8.112 1.00 1.00 C ATOM 259 O PHE A 16 -35.330 0.265 7.793 1.00 1.00 O ATOM 260 CB PHE A 16 -32.902 0.579 6.207 1.00 1.00 C ATOM 261 CG PHE A 16 -32.836 2.047 5.780 1.00 1.00 C ATOM 262 CD1 PHE A 16 -33.831 2.904 6.135 1.00 1.00 C ATOM 263 CD2 PHE A 16 -31.783 2.494 5.045 1.00 1.00 C ATOM 264 CE1 PHE A 16 -33.769 4.266 5.738 1.00 1.00 C ATOM 265 CE2 PHE A 16 -31.722 3.856 4.648 1.00 1.00 C ATOM 266 CZ PHE A 16 -32.716 4.713 5.003 1.00 1.00 C ATOM 0 H PHE A 16 -31.509 -1.104 7.295 1.00 1.00 H new ATOM 0 HA PHE A 16 -32.841 1.315 8.264 1.00 1.00 H new ATOM 0 HB2 PHE A 16 -32.040 0.053 5.797 1.00 1.00 H new ATOM 0 HB3 PHE A 16 -33.791 0.124 5.770 1.00 1.00 H new ATOM 0 HD1 PHE A 16 -34.668 2.549 6.718 1.00 1.00 H new ATOM 0 HD2 PHE A 16 -30.993 1.813 4.763 1.00 1.00 H new ATOM 0 HE1 PHE A 16 -34.558 4.947 6.020 1.00 1.00 H new ATOM 0 HE2 PHE A 16 -30.886 4.211 4.064 1.00 1.00 H new ATOM 0 HZ PHE A 16 -32.669 5.749 4.701 1.00 1.00 H new ATOM 276 N ASN A 17 -34.169 -1.397 8.795 1.00 1.00 N ATOM 277 CA ASN A 17 -35.355 -2.114 9.231 1.00 1.00 C ATOM 278 C ASN A 17 -35.666 -1.742 10.682 1.00 1.00 C ATOM 279 O ASN A 17 -36.816 -1.467 11.023 1.00 1.00 O ATOM 280 CB ASN A 17 -35.138 -3.627 9.167 1.00 1.00 C ATOM 281 CG ASN A 17 -36.448 -4.379 9.411 1.00 1.00 C ATOM 282 OD1 ASN A 17 -37.447 -3.818 9.830 1.00 1.00 O ATOM 283 ND2 ASN A 17 -36.387 -5.677 9.128 1.00 1.00 N ATOM 0 H ASN A 17 -33.286 -1.835 9.057 1.00 1.00 H new ATOM 0 HA ASN A 17 -36.177 -1.839 8.570 1.00 1.00 H new ATOM 0 HB2 ASN A 17 -34.734 -3.899 8.192 1.00 1.00 H new ATOM 0 HB3 ASN A 17 -34.400 -3.924 9.912 1.00 1.00 H new ATOM 0 HD21 ASN A 17 -37.209 -6.267 9.259 1.00 1.00 H new ATOM 0 HD22 ASN A 17 -35.518 -6.083 8.780 1.00 1.00 H new ATOM 290 N CYS A 18 -34.622 -1.746 11.498 1.00 1.00 N ATOM 291 CA CYS A 18 -34.770 -1.413 12.904 1.00 1.00 C ATOM 292 C CYS A 18 -34.246 0.009 13.118 1.00 1.00 C ATOM 293 O CYS A 18 -34.817 0.775 13.893 1.00 1.00 O ATOM 294 CB CYS A 18 -34.057 -2.425 13.803 1.00 1.00 C ATOM 295 SG CYS A 18 -32.306 -2.587 13.298 1.00 1.00 S ATOM 0 H CYS A 18 -33.670 -1.975 11.212 1.00 1.00 H new ATOM 0 HA CYS A 18 -35.823 -1.457 13.182 1.00 1.00 H new ATOM 0 HB2 CYS A 18 -34.116 -2.104 14.843 1.00 1.00 H new ATOM 0 HB3 CYS A 18 -34.553 -3.393 13.739 1.00 1.00 H new ATOM 300 N GLY A 19 -33.165 0.319 12.418 1.00 1.00 N ATOM 301 CA GLY A 19 -32.557 1.635 12.522 1.00 1.00 C ATOM 302 C GLY A 19 -31.225 1.566 13.270 1.00 1.00 C ATOM 303 O GLY A 19 -30.533 2.574 13.407 1.00 1.00 O ATOM 0 H GLY A 19 -32.694 -0.319 11.776 1.00 1.00 H new ATOM 0 HA2 GLY A 19 -32.397 2.046 11.525 1.00 1.00 H new ATOM 0 HA3 GLY A 19 -33.235 2.313 13.041 1.00 1.00 H new ATOM 307 N LYS A 20 -30.905 0.367 13.735 1.00 1.00 N ATOM 308 CA LYS A 20 -29.667 0.154 14.466 1.00 1.00 C ATOM 309 C LYS A 20 -28.502 0.084 13.477 1.00 1.00 C ATOM 310 O LYS A 20 -28.555 -0.663 12.502 1.00 1.00 O ATOM 311 CB LYS A 20 -29.783 -1.076 15.368 1.00 1.00 C ATOM 312 CG LYS A 20 -29.155 -0.813 16.738 1.00 1.00 C ATOM 313 CD LYS A 20 -28.265 -1.980 17.167 1.00 1.00 C ATOM 314 CE LYS A 20 -28.552 -2.386 18.614 1.00 1.00 C ATOM 315 NZ LYS A 20 -29.808 -3.165 18.695 1.00 1.00 N ATOM 0 H LYS A 20 -31.481 -0.467 13.620 1.00 1.00 H new ATOM 0 HA LYS A 20 -29.469 0.993 15.134 1.00 1.00 H new ATOM 0 HB2 LYS A 20 -30.832 -1.344 15.491 1.00 1.00 H new ATOM 0 HB3 LYS A 20 -29.290 -1.926 14.895 1.00 1.00 H new ATOM 0 HG2 LYS A 20 -28.566 0.104 16.702 1.00 1.00 H new ATOM 0 HG3 LYS A 20 -29.940 -0.659 17.478 1.00 1.00 H new ATOM 0 HD2 LYS A 20 -28.432 -2.831 16.507 1.00 1.00 H new ATOM 0 HD3 LYS A 20 -27.217 -1.699 17.066 1.00 1.00 H new ATOM 0 HE2 LYS A 20 -27.724 -2.979 19.003 1.00 1.00 H new ATOM 0 HE3 LYS A 20 -28.628 -1.496 19.239 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 -29.988 -3.432 19.684 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 -30.598 -2.587 18.344 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 -29.722 -4.024 18.114 1.00 1.00 H new ATOM 328 N GLU A 21 -27.476 0.872 13.764 1.00 1.00 N ATOM 329 CA GLU A 21 -26.299 0.909 12.913 1.00 1.00 C ATOM 330 C GLU A 21 -25.370 -0.262 13.241 1.00 1.00 C ATOM 331 O GLU A 21 -25.095 -0.532 14.408 1.00 1.00 O ATOM 332 CB GLU A 21 -25.566 2.245 13.047 1.00 1.00 C ATOM 333 CG GLU A 21 -25.028 2.434 14.467 1.00 1.00 C ATOM 334 CD GLU A 21 -23.498 2.409 14.481 1.00 1.00 C ATOM 335 OE1 GLU A 21 -22.898 1.572 15.171 1.00 1.00 O ATOM 336 OE2 GLU A 21 -22.932 3.301 13.741 1.00 1.00 O ATOM 0 H GLU A 21 -27.436 1.490 14.574 1.00 1.00 H new ATOM 0 HA GLU A 21 -26.621 0.812 11.876 1.00 1.00 H new ATOM 0 HB2 GLU A 21 -24.743 2.286 12.334 1.00 1.00 H new ATOM 0 HB3 GLU A 21 -26.243 3.062 12.799 1.00 1.00 H new ATOM 0 HG2 GLU A 21 -25.384 3.382 14.871 1.00 1.00 H new ATOM 0 HG3 GLU A 21 -25.414 1.646 15.114 1.00 1.00 H new ATOM 344 N GLY A 22 -24.912 -0.925 12.189 1.00 1.00 N ATOM 345 CA GLY A 22 -24.019 -2.060 12.350 1.00 1.00 C ATOM 346 C GLY A 22 -24.349 -3.164 11.344 1.00 1.00 C ATOM 347 O GLY A 22 -23.450 -3.823 10.824 1.00 1.00 O ATOM 0 H GLY A 22 -25.143 -0.698 11.222 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -22.987 -1.737 12.215 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -24.101 -2.451 13.364 1.00 1.00 H new ATOM 351 N HIS A 23 -25.640 -3.331 11.099 1.00 1.00 N ATOM 352 CA HIS A 23 -26.099 -4.344 10.163 1.00 1.00 C ATOM 353 C HIS A 23 -27.037 -3.707 9.137 1.00 1.00 C ATOM 354 O HIS A 23 -27.260 -2.497 9.161 1.00 1.00 O ATOM 355 CB HIS A 23 -26.742 -5.517 10.906 1.00 1.00 C ATOM 356 CG HIS A 23 -28.079 -5.193 11.527 1.00 1.00 C ATOM 357 ND1 HIS A 23 -28.212 -4.377 12.637 1.00 1.00 N ATOM 358 CD2 HIS A 23 -29.340 -5.581 11.181 1.00 1.00 C ATOM 359 CE1 HIS A 23 -29.500 -4.286 12.937 1.00 1.00 C ATOM 360 NE2 HIS A 23 -30.197 -5.034 12.034 1.00 1.00 N ATOM 0 H HIS A 23 -26.383 -2.782 11.532 1.00 1.00 H new ATOM 0 HA HIS A 23 -25.248 -4.755 9.620 1.00 1.00 H new ATOM 0 HB2 HIS A 23 -26.867 -6.348 10.212 1.00 1.00 H new ATOM 0 HB3 HIS A 23 -26.062 -5.855 11.688 1.00 1.00 H new ATOM 0 HD1 HIS A 23 -27.449 -3.923 13.139 1.00 1.00 H new ATOM 0 HD2 HIS A 23 -29.598 -6.225 10.353 1.00 1.00 H new ATOM 0 HE1 HIS A 23 -29.923 -3.719 13.753 1.00 1.00 H new ATOM 368 N ILE A 24 -27.562 -4.549 8.259 1.00 1.00 N ATOM 369 CA ILE A 24 -28.471 -4.083 7.226 1.00 1.00 C ATOM 370 C ILE A 24 -29.850 -4.708 7.446 1.00 1.00 C ATOM 371 O ILE A 24 -29.983 -5.681 8.186 1.00 1.00 O ATOM 372 CB ILE A 24 -27.888 -4.355 5.837 1.00 1.00 C ATOM 373 CG1 ILE A 24 -27.566 -5.840 5.658 1.00 1.00 C ATOM 374 CG2 ILE A 24 -26.670 -3.468 5.571 1.00 1.00 C ATOM 375 CD1 ILE A 24 -27.105 -6.133 4.229 1.00 1.00 C ATOM 0 H ILE A 24 -27.375 -5.552 8.242 1.00 1.00 H new ATOM 0 HA ILE A 24 -28.596 -3.002 7.289 1.00 1.00 H new ATOM 0 HB ILE A 24 -28.642 -4.098 5.093 1.00 1.00 H new ATOM 0 HG12 ILE A 24 -26.788 -6.134 6.362 1.00 1.00 H new ATOM 0 HG13 ILE A 24 -28.448 -6.437 5.889 1.00 1.00 H new ATOM 0 HG21 ILE A 24 -26.275 -3.681 4.578 1.00 1.00 H new ATOM 0 HG22 ILE A 24 -26.964 -2.420 5.628 1.00 1.00 H new ATOM 0 HG23 ILE A 24 -25.902 -3.670 6.318 1.00 1.00 H new ATOM 0 HD11 ILE A 24 -26.883 -7.195 4.129 1.00 1.00 H new ATOM 0 HD12 ILE A 24 -27.895 -5.860 3.529 1.00 1.00 H new ATOM 0 HD13 ILE A 24 -26.209 -5.553 4.010 1.00 1.00 H new ATOM 387 N ALA A 25 -30.841 -4.123 6.790 1.00 1.00 N ATOM 388 CA ALA A 25 -32.206 -4.609 6.906 1.00 1.00 C ATOM 389 C ALA A 25 -32.258 -6.075 6.469 1.00 1.00 C ATOM 390 O ALA A 25 -32.957 -6.883 7.078 1.00 1.00 O ATOM 391 CB ALA A 25 -33.137 -3.721 6.078 1.00 1.00 C ATOM 0 H ALA A 25 -30.726 -3.317 6.176 1.00 1.00 H new ATOM 0 HA ALA A 25 -32.545 -4.560 7.941 1.00 1.00 H new ATOM 0 HB1 ALA A 25 -34.160 -4.086 6.165 1.00 1.00 H new ATOM 0 HB2 ALA A 25 -33.084 -2.696 6.446 1.00 1.00 H new ATOM 0 HB3 ALA A 25 -32.830 -3.748 5.032 1.00 1.00 H new ATOM 397 N LYS A 26 -31.509 -6.373 5.418 1.00 1.00 N ATOM 398 CA LYS A 26 -31.462 -7.727 4.892 1.00 1.00 C ATOM 399 C LYS A 26 -30.823 -8.650 5.932 1.00 1.00 C ATOM 400 O LYS A 26 -30.981 -9.868 5.865 1.00 1.00 O ATOM 401 CB LYS A 26 -30.758 -7.751 3.534 1.00 1.00 C ATOM 402 CG LYS A 26 -30.934 -9.107 2.849 1.00 1.00 C ATOM 403 CD LYS A 26 -29.800 -9.371 1.856 1.00 1.00 C ATOM 404 CE LYS A 26 -30.136 -8.801 0.476 1.00 1.00 C ATOM 405 NZ LYS A 26 -29.609 -9.681 -0.591 1.00 1.00 N ATOM 0 H LYS A 26 -30.930 -5.700 4.916 1.00 1.00 H new ATOM 0 HA LYS A 26 -32.470 -8.100 4.709 1.00 1.00 H new ATOM 0 HB2 LYS A 26 -31.161 -6.963 2.898 1.00 1.00 H new ATOM 0 HB3 LYS A 26 -29.697 -7.542 3.667 1.00 1.00 H new ATOM 0 HG2 LYS A 26 -30.956 -9.897 3.599 1.00 1.00 H new ATOM 0 HG3 LYS A 26 -31.891 -9.134 2.329 1.00 1.00 H new ATOM 0 HD2 LYS A 26 -28.878 -8.922 2.224 1.00 1.00 H new ATOM 0 HD3 LYS A 26 -29.623 -10.444 1.777 1.00 1.00 H new ATOM 0 HE2 LYS A 26 -31.216 -8.699 0.371 1.00 1.00 H new ATOM 0 HE3 LYS A 26 -29.711 -7.802 0.375 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 -29.846 -9.279 -1.521 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 -28.576 -9.757 -0.500 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 -30.035 -10.626 -0.503 1.00 1.00 H new ATOM 418 N ASN A 27 -30.115 -8.035 6.868 1.00 1.00 N ATOM 419 CA ASN A 27 -29.452 -8.787 7.920 1.00 1.00 C ATOM 420 C ASN A 27 -30.127 -8.485 9.259 1.00 1.00 C ATOM 421 O ASN A 27 -29.523 -8.661 10.316 1.00 1.00 O ATOM 422 CB ASN A 27 -27.979 -8.392 8.033 1.00 1.00 C ATOM 423 CG ASN A 27 -27.080 -9.630 8.069 1.00 1.00 C ATOM 424 OD1 ASN A 27 -26.536 -10.064 7.067 1.00 1.00 O ATOM 425 ND2 ASN A 27 -26.957 -10.174 9.277 1.00 1.00 N ATOM 0 H ASN A 27 -29.986 -7.025 6.920 1.00 1.00 H new ATOM 0 HA ASN A 27 -29.524 -9.847 7.675 1.00 1.00 H new ATOM 0 HB2 ASN A 27 -27.702 -7.762 7.188 1.00 1.00 H new ATOM 0 HB3 ASN A 27 -27.826 -7.801 8.936 1.00 1.00 H new ATOM 0 HD21 ASN A 27 -26.380 -11.005 9.406 1.00 1.00 H new ATOM 0 HD22 ASN A 27 -27.440 -9.760 10.074 1.00 1.00 H new ATOM 432 N CYS A 28 -31.370 -8.035 9.171 1.00 1.00 N ATOM 433 CA CYS A 28 -32.134 -7.707 10.363 1.00 1.00 C ATOM 434 C CYS A 28 -32.740 -8.999 10.916 1.00 1.00 C ATOM 435 O CYS A 28 -33.621 -9.591 10.294 1.00 1.00 O ATOM 436 CB CYS A 28 -33.203 -6.652 10.077 1.00 1.00 C ATOM 437 SG CYS A 28 -33.943 -6.069 11.647 1.00 1.00 S ATOM 0 H CYS A 28 -31.867 -7.890 8.292 1.00 1.00 H new ATOM 0 HA CYS A 28 -31.474 -7.267 11.111 1.00 1.00 H new ATOM 0 HB2 CYS A 28 -32.762 -5.812 9.539 1.00 1.00 H new ATOM 0 HB3 CYS A 28 -33.977 -7.071 9.434 1.00 1.00 H new ATOM 442 N ARG A 29 -32.244 -9.398 12.078 1.00 1.00 N ATOM 443 CA ARG A 29 -32.726 -10.608 12.722 1.00 1.00 C ATOM 444 C ARG A 29 -34.075 -10.350 13.396 1.00 1.00 C ATOM 445 O ARG A 29 -34.652 -11.250 14.004 1.00 1.00 O ATOM 446 CB ARG A 29 -31.729 -11.111 13.767 1.00 1.00 C ATOM 447 CG ARG A 29 -31.927 -12.603 14.042 1.00 1.00 C ATOM 448 CD ARG A 29 -31.044 -13.069 15.201 1.00 1.00 C ATOM 449 NE ARG A 29 -31.407 -12.342 16.438 1.00 1.00 N ATOM 450 CZ ARG A 29 -30.874 -11.157 16.804 1.00 1.00 C ATOM 451 NH1 ARG A 29 -29.947 -10.554 16.029 1.00 1.00 N ATOM 452 NH2 ARG A 29 -31.272 -10.597 17.931 1.00 1.00 N ATOM 0 H ARG A 29 -31.513 -8.905 12.590 1.00 1.00 H new ATOM 0 HA ARG A 29 -32.841 -11.370 11.951 1.00 1.00 H new ATOM 0 HB2 ARG A 29 -30.711 -10.934 13.419 1.00 1.00 H new ATOM 0 HB3 ARG A 29 -31.852 -10.548 14.692 1.00 1.00 H new ATOM 0 HG2 ARG A 29 -32.974 -12.797 14.277 1.00 1.00 H new ATOM 0 HG3 ARG A 29 -31.689 -13.176 13.146 1.00 1.00 H new ATOM 0 HD2 ARG A 29 -31.164 -14.142 15.352 1.00 1.00 H new ATOM 0 HD3 ARG A 29 -29.995 -12.896 14.962 1.00 1.00 H new ATOM 0 HE ARG A 29 -32.104 -12.763 17.053 1.00 1.00 H new ATOM 0 HH11 ARG A 29 -29.645 -10.994 15.160 1.00 1.00 H new ATOM 0 HH12 ARG A 29 -29.549 -9.659 16.313 1.00 1.00 H new ATOM 0 HH21 ARG A 29 -31.972 -11.059 18.511 1.00 1.00 H new ATOM 0 HH22 ARG A 29 -30.879 -9.702 18.222 1.00 1.00 H new ATOM 465 N ALA A 30 -34.539 -9.116 13.266 1.00 1.00 N ATOM 466 CA ALA A 30 -35.809 -8.727 13.856 1.00 1.00 C ATOM 467 C ALA A 30 -36.814 -9.868 13.687 1.00 1.00 C ATOM 468 O ALA A 30 -37.400 -10.032 12.618 1.00 1.00 O ATOM 469 CB ALA A 30 -36.292 -7.425 13.215 1.00 1.00 C ATOM 0 H ALA A 30 -34.058 -8.372 12.761 1.00 1.00 H new ATOM 0 HA ALA A 30 -35.696 -8.542 14.924 1.00 1.00 H new ATOM 0 HB1 ALA A 30 -37.244 -7.133 13.657 1.00 1.00 H new ATOM 0 HB2 ALA A 30 -35.556 -6.640 13.387 1.00 1.00 H new ATOM 0 HB3 ALA A 30 -36.420 -7.573 12.143 1.00 1.00 H new ATOM 475 N PRO A 31 -36.989 -10.648 14.787 1.00 1.00 N ATOM 476 CA PRO A 31 -37.913 -11.769 14.772 1.00 1.00 C ATOM 477 C PRO A 31 -39.363 -11.285 14.842 1.00 1.00 C ATOM 478 O PRO A 31 -40.268 -11.949 14.339 1.00 1.00 O ATOM 479 CB PRO A 31 -37.514 -12.625 15.962 1.00 1.00 C ATOM 480 CG PRO A 31 -36.690 -11.723 16.867 1.00 1.00 C ATOM 481 CD PRO A 31 -36.313 -10.484 16.071 1.00 1.00 C ATOM 0 HA PRO A 31 -37.859 -12.346 13.849 1.00 1.00 H new ATOM 0 HB2 PRO A 31 -38.393 -13.003 16.483 1.00 1.00 H new ATOM 0 HB3 PRO A 31 -36.935 -13.492 15.643 1.00 1.00 H new ATOM 0 HG2 PRO A 31 -37.261 -11.448 17.754 1.00 1.00 H new ATOM 0 HG3 PRO A 31 -35.796 -12.242 17.212 1.00 1.00 H new ATOM 0 HD2 PRO A 31 -36.638 -9.575 16.576 1.00 1.00 H new ATOM 0 HD3 PRO A 31 -35.233 -10.409 15.943 1.00 1.00 H new ATOM 489 N ARG A 32 -39.538 -10.132 15.471 1.00 1.00 N ATOM 490 CA ARG A 32 -40.862 -9.551 15.614 1.00 1.00 C ATOM 491 C ARG A 32 -41.458 -9.243 14.239 1.00 1.00 C ATOM 492 O ARG A 32 -40.768 -9.335 13.225 1.00 1.00 O ATOM 493 CB ARG A 32 -40.813 -8.265 16.441 1.00 1.00 C ATOM 494 CG ARG A 32 -39.984 -7.191 15.736 1.00 1.00 C ATOM 495 CD ARG A 32 -39.661 -6.036 16.686 1.00 1.00 C ATOM 496 NE ARG A 32 -38.525 -6.402 17.560 1.00 1.00 N ATOM 497 CZ ARG A 32 -38.261 -5.811 18.746 1.00 1.00 C ATOM 498 NH1 ARG A 32 -39.052 -4.820 19.208 1.00 1.00 N ATOM 499 NH2 ARG A 32 -37.218 -6.218 19.445 1.00 1.00 N ATOM 0 H ARG A 32 -38.785 -9.585 15.887 1.00 1.00 H new ATOM 0 HA ARG A 32 -41.489 -10.278 16.131 1.00 1.00 H new ATOM 0 HB2 ARG A 32 -41.825 -7.897 16.608 1.00 1.00 H new ATOM 0 HB3 ARG A 32 -40.385 -8.475 17.421 1.00 1.00 H new ATOM 0 HG2 ARG A 32 -39.058 -7.628 15.362 1.00 1.00 H new ATOM 0 HG3 ARG A 32 -40.531 -6.814 14.872 1.00 1.00 H new ATOM 0 HD2 ARG A 32 -39.417 -5.141 16.114 1.00 1.00 H new ATOM 0 HD3 ARG A 32 -40.535 -5.798 17.292 1.00 1.00 H new ATOM 0 HE ARG A 32 -37.902 -7.147 17.248 1.00 1.00 H new ATOM 0 HH11 ARG A 32 -39.856 -4.512 18.661 1.00 1.00 H new ATOM 0 HH12 ARG A 32 -38.846 -4.379 20.104 1.00 1.00 H new ATOM 0 HH21 ARG A 32 -36.626 -6.968 19.088 1.00 1.00 H new ATOM 0 HH22 ARG A 32 -37.004 -5.783 20.342 1.00 1.00 H new ATOM 512 N LYS A 33 -42.733 -8.882 14.249 1.00 1.00 N ATOM 513 CA LYS A 33 -43.429 -8.559 13.016 1.00 1.00 C ATOM 514 C LYS A 33 -43.253 -9.708 12.020 1.00 1.00 C ATOM 515 O LYS A 33 -42.479 -9.598 11.071 1.00 1.00 O ATOM 516 CB LYS A 33 -42.967 -7.204 12.478 1.00 1.00 C ATOM 517 CG LYS A 33 -43.684 -6.057 13.193 1.00 1.00 C ATOM 518 CD LYS A 33 -45.120 -5.907 12.685 1.00 1.00 C ATOM 519 CE LYS A 33 -45.176 -4.987 11.464 1.00 1.00 C ATOM 520 NZ LYS A 33 -45.170 -3.568 11.883 1.00 1.00 N ATOM 0 H LYS A 33 -43.302 -8.806 15.092 1.00 1.00 H new ATOM 0 HA LYS A 33 -44.498 -8.455 13.199 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -41.890 -7.104 12.612 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -43.162 -7.148 11.407 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -43.692 -6.242 14.267 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -43.139 -5.127 13.033 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -45.522 -6.886 12.426 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -45.750 -5.504 13.478 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -44.324 -5.184 10.814 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -46.075 -5.197 10.884 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -45.208 -2.958 11.042 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -45.997 -3.380 12.485 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -44.300 -3.367 12.417 1.00 1.00 H new ATOM 533 N LYS A 34 -43.985 -10.784 12.271 1.00 1.00 N ATOM 534 CA LYS A 34 -43.920 -11.951 11.409 1.00 1.00 C ATOM 535 C LYS A 34 -44.235 -11.536 9.971 1.00 1.00 C ATOM 536 O LYS A 34 -45.055 -10.647 9.743 1.00 1.00 O ATOM 537 CB LYS A 34 -44.827 -13.062 11.941 1.00 1.00 C ATOM 538 CG LYS A 34 -46.300 -12.659 11.848 1.00 1.00 C ATOM 539 CD LYS A 34 -46.908 -12.474 13.240 1.00 1.00 C ATOM 540 CE LYS A 34 -47.666 -13.729 13.678 1.00 1.00 C ATOM 541 NZ LYS A 34 -49.005 -13.771 13.050 1.00 1.00 N ATOM 0 H LYS A 34 -44.626 -10.871 13.059 1.00 1.00 H new ATOM 0 HA LYS A 34 -42.913 -12.367 11.408 1.00 1.00 H new ATOM 0 HB2 LYS A 34 -44.660 -13.977 11.372 1.00 1.00 H new ATOM 0 HB3 LYS A 34 -44.571 -13.280 12.978 1.00 1.00 H new ATOM 0 HG2 LYS A 34 -46.392 -11.732 11.281 1.00 1.00 H new ATOM 0 HG3 LYS A 34 -46.856 -13.422 11.303 1.00 1.00 H new ATOM 0 HD2 LYS A 34 -46.119 -12.252 13.959 1.00 1.00 H new ATOM 0 HD3 LYS A 34 -47.585 -11.619 13.235 1.00 1.00 H new ATOM 0 HE2 LYS A 34 -47.100 -14.618 13.401 1.00 1.00 H new ATOM 0 HE3 LYS A 34 -47.766 -13.740 14.763 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 -49.506 -14.629 13.358 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 -49.549 -12.931 13.335 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 -48.903 -13.782 12.015 1.00 1.00 H new ATOM 554 N GLY A 35 -43.568 -12.199 9.037 1.00 1.00 N ATOM 555 CA GLY A 35 -43.767 -11.910 7.627 1.00 1.00 C ATOM 556 C GLY A 35 -43.271 -13.065 6.755 1.00 1.00 C ATOM 557 O GLY A 35 -43.417 -14.231 7.122 1.00 1.00 O ATOM 0 H GLY A 35 -42.889 -12.936 9.230 1.00 1.00 H new ATOM 0 HA2 GLY A 35 -44.825 -11.733 7.434 1.00 1.00 H new ATOM 0 HA3 GLY A 35 -43.237 -10.995 7.361 1.00 1.00 H new ATOM 561 N CYS A 36 -42.696 -12.702 5.619 1.00 1.00 N ATOM 562 CA CYS A 36 -42.178 -13.694 4.692 1.00 1.00 C ATOM 563 C CYS A 36 -40.678 -13.852 4.946 1.00 1.00 C ATOM 564 O CYS A 36 -39.905 -12.921 4.724 1.00 1.00 O ATOM 565 CB CYS A 36 -42.474 -13.319 3.238 1.00 1.00 C ATOM 566 SG CYS A 36 -42.085 -14.728 2.137 1.00 1.00 S ATOM 0 H CYS A 36 -42.577 -11.734 5.319 1.00 1.00 H new ATOM 0 HA CYS A 36 -42.677 -14.648 4.861 1.00 1.00 H new ATOM 0 HB2 CYS A 36 -43.523 -13.042 3.131 1.00 1.00 H new ATOM 0 HB3 CYS A 36 -41.884 -12.449 2.951 1.00 1.00 H new ATOM 571 N TRP A 37 -40.310 -15.038 5.408 1.00 1.00 N ATOM 572 CA TRP A 37 -38.915 -15.330 5.694 1.00 1.00 C ATOM 573 C TRP A 37 -38.287 -15.924 4.432 1.00 1.00 C ATOM 574 O TRP A 37 -37.198 -16.492 4.484 1.00 1.00 O ATOM 575 CB TRP A 37 -38.786 -16.245 6.913 1.00 1.00 C ATOM 576 CG TRP A 37 -37.344 -16.466 7.376 1.00 1.00 C ATOM 577 CD1 TRP A 37 -36.610 -17.583 7.283 1.00 1.00 C ATOM 578 CD2 TRP A 37 -36.486 -15.494 8.010 1.00 1.00 C ATOM 579 NE1 TRP A 37 -35.347 -17.404 7.810 1.00 1.00 N ATOM 580 CE2 TRP A 37 -35.270 -16.093 8.266 1.00 1.00 C ATOM 581 CE3 TRP A 37 -36.731 -14.154 8.357 1.00 1.00 C ATOM 582 CZ2 TRP A 37 -34.201 -15.427 8.879 1.00 1.00 C ATOM 583 CZ3 TRP A 37 -35.653 -13.502 8.969 1.00 1.00 C ATOM 584 CH2 TRP A 37 -34.422 -14.091 9.233 1.00 1.00 C ATOM 0 H TRP A 37 -40.953 -15.808 5.591 1.00 1.00 H new ATOM 0 HA TRP A 37 -38.376 -14.419 5.955 1.00 1.00 H new ATOM 0 HB2 TRP A 37 -39.360 -15.819 7.736 1.00 1.00 H new ATOM 0 HB3 TRP A 37 -39.233 -17.211 6.678 1.00 1.00 H new ATOM 0 HD1 TRP A 37 -36.962 -18.507 6.850 1.00 1.00 H new ATOM 0 HE1 TRP A 37 -34.607 -18.104 7.856 1.00 1.00 H new ATOM 0 HE3 TRP A 37 -37.675 -13.666 8.167 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 -33.258 -15.918 9.068 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 -35.788 -12.470 9.256 1.00 1.00 H new ATOM 0 HH2 TRP A 37 -33.639 -13.520 9.710 1.00 1.00 H new ATOM 595 N LYS A 38 -39.002 -15.771 3.326 1.00 1.00 N ATOM 596 CA LYS A 38 -38.528 -16.285 2.053 1.00 1.00 C ATOM 597 C LYS A 38 -38.012 -15.125 1.199 1.00 1.00 C ATOM 598 O LYS A 38 -36.956 -15.229 0.577 1.00 1.00 O ATOM 599 CB LYS A 38 -39.618 -17.113 1.370 1.00 1.00 C ATOM 600 CG LYS A 38 -39.019 -18.050 0.319 1.00 1.00 C ATOM 601 CD LYS A 38 -38.442 -19.308 0.971 1.00 1.00 C ATOM 602 CE LYS A 38 -36.938 -19.418 0.712 1.00 1.00 C ATOM 603 NZ LYS A 38 -36.678 -19.729 -0.711 1.00 1.00 N ATOM 0 H LYS A 38 -39.905 -15.299 3.286 1.00 1.00 H new ATOM 0 HA LYS A 38 -37.691 -16.966 2.206 1.00 1.00 H new ATOM 0 HB2 LYS A 38 -40.158 -17.696 2.116 1.00 1.00 H new ATOM 0 HB3 LYS A 38 -40.343 -16.449 0.899 1.00 1.00 H new ATOM 0 HG2 LYS A 38 -39.786 -18.330 -0.403 1.00 1.00 H new ATOM 0 HG3 LYS A 38 -38.236 -17.530 -0.233 1.00 1.00 H new ATOM 0 HD2 LYS A 38 -38.629 -19.284 2.045 1.00 1.00 H new ATOM 0 HD3 LYS A 38 -38.948 -20.190 0.579 1.00 1.00 H new ATOM 0 HE2 LYS A 38 -36.447 -18.483 0.981 1.00 1.00 H new ATOM 0 HE3 LYS A 38 -36.510 -20.196 1.344 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 -35.659 -19.884 -0.852 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 -37.199 -20.588 -0.979 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 -36.993 -18.934 -1.303 1.00 1.00 H new ATOM 616 N CYS A 39 -38.781 -14.046 1.198 1.00 1.00 N ATOM 617 CA CYS A 39 -38.415 -12.867 0.431 1.00 1.00 C ATOM 618 C CYS A 39 -37.977 -11.775 1.409 1.00 1.00 C ATOM 619 O CYS A 39 -37.187 -10.901 1.056 1.00 1.00 O ATOM 620 CB CYS A 39 -39.560 -12.400 -0.470 1.00 1.00 C ATOM 621 SG CYS A 39 -41.078 -12.156 0.522 1.00 1.00 S ATOM 0 H CYS A 39 -39.656 -13.963 1.716 1.00 1.00 H new ATOM 0 HA CYS A 39 -37.589 -13.107 -0.238 1.00 1.00 H new ATOM 0 HB2 CYS A 39 -39.287 -11.469 -0.966 1.00 1.00 H new ATOM 0 HB3 CYS A 39 -39.742 -13.137 -1.252 1.00 1.00 H new ATOM 626 N GLY A 40 -38.509 -11.861 2.619 1.00 1.00 N ATOM 627 CA GLY A 40 -38.183 -10.891 3.651 1.00 1.00 C ATOM 628 C GLY A 40 -39.266 -9.815 3.754 1.00 1.00 C ATOM 629 O GLY A 40 -39.234 -8.981 4.657 1.00 1.00 O ATOM 0 H GLY A 40 -39.164 -12.588 2.908 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -38.076 -11.397 4.610 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -37.223 -10.426 3.427 1.00 1.00 H new ATOM 633 N LYS A 41 -40.199 -9.868 2.815 1.00 1.00 N ATOM 634 CA LYS A 41 -41.290 -8.908 2.788 1.00 1.00 C ATOM 635 C LYS A 41 -42.208 -9.153 3.988 1.00 1.00 C ATOM 636 O LYS A 41 -42.805 -10.221 4.109 1.00 1.00 O ATOM 637 CB LYS A 41 -42.013 -8.956 1.441 1.00 1.00 C ATOM 638 CG LYS A 41 -42.156 -7.554 0.845 1.00 1.00 C ATOM 639 CD LYS A 41 -43.545 -7.357 0.234 1.00 1.00 C ATOM 640 CE LYS A 41 -44.121 -5.991 0.612 1.00 1.00 C ATOM 641 NZ LYS A 41 -45.574 -5.947 0.333 1.00 1.00 N ATOM 0 H LYS A 41 -40.222 -10.561 2.067 1.00 1.00 H new ATOM 0 HA LYS A 41 -40.906 -7.892 2.881 1.00 1.00 H new ATOM 0 HB2 LYS A 41 -41.461 -9.594 0.751 1.00 1.00 H new ATOM 0 HB3 LYS A 41 -42.999 -9.403 1.569 1.00 1.00 H new ATOM 0 HG2 LYS A 41 -41.986 -6.806 1.620 1.00 1.00 H new ATOM 0 HG3 LYS A 41 -41.394 -7.400 0.081 1.00 1.00 H new ATOM 0 HD2 LYS A 41 -43.485 -7.443 -0.851 1.00 1.00 H new ATOM 0 HD3 LYS A 41 -44.213 -8.146 0.579 1.00 1.00 H new ATOM 0 HE2 LYS A 41 -43.941 -5.794 1.669 1.00 1.00 H new ATOM 0 HE3 LYS A 41 -43.613 -5.207 0.050 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 -45.950 -5.013 0.595 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 -45.738 -6.114 -0.680 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 -46.056 -6.682 0.888 1.00 1.00 H new ATOM 654 N GLU A 42 -42.292 -8.145 4.843 1.00 1.00 N ATOM 655 CA GLU A 42 -43.126 -8.236 6.029 1.00 1.00 C ATOM 656 C GLU A 42 -44.577 -7.892 5.685 1.00 1.00 C ATOM 657 O GLU A 42 -44.947 -6.719 5.645 1.00 1.00 O ATOM 658 CB GLU A 42 -42.597 -7.332 7.143 1.00 1.00 C ATOM 659 CG GLU A 42 -42.622 -5.863 6.716 1.00 1.00 C ATOM 660 CD GLU A 42 -41.238 -5.227 6.860 1.00 1.00 C ATOM 661 OE1 GLU A 42 -40.228 -5.945 6.915 1.00 1.00 O ATOM 662 OE2 GLU A 42 -41.233 -3.938 6.913 1.00 1.00 O ATOM 0 H GLU A 42 -41.796 -7.260 4.738 1.00 1.00 H new ATOM 0 HA GLU A 42 -43.093 -9.262 6.394 1.00 1.00 H new ATOM 0 HB2 GLU A 42 -43.201 -7.464 8.041 1.00 1.00 H new ATOM 0 HB3 GLU A 42 -41.578 -7.623 7.399 1.00 1.00 H new ATOM 0 HG2 GLU A 42 -42.955 -5.787 5.681 1.00 1.00 H new ATOM 0 HG3 GLU A 42 -43.343 -5.316 7.324 1.00 1.00 H new ATOM 670 N GLY A 43 -45.358 -8.934 5.444 1.00 1.00 N ATOM 671 CA GLY A 43 -46.760 -8.756 5.105 1.00 1.00 C ATOM 672 C GLY A 43 -47.417 -10.097 4.769 1.00 1.00 C ATOM 673 O GLY A 43 -48.345 -10.526 5.453 1.00 1.00 O ATOM 0 H GLY A 43 -45.047 -9.905 5.477 1.00 1.00 H new ATOM 0 HA2 GLY A 43 -47.283 -8.289 5.940 1.00 1.00 H new ATOM 0 HA3 GLY A 43 -46.849 -8.080 4.255 1.00 1.00 H new ATOM 677 N HIS A 44 -46.911 -10.720 3.715 1.00 1.00 N ATOM 678 CA HIS A 44 -47.437 -12.003 3.280 1.00 1.00 C ATOM 679 C HIS A 44 -46.637 -13.133 3.931 1.00 1.00 C ATOM 680 O HIS A 44 -45.484 -12.942 4.313 1.00 1.00 O ATOM 681 CB HIS A 44 -47.455 -12.093 1.753 1.00 1.00 C ATOM 682 CG HIS A 44 -46.083 -12.150 1.125 1.00 1.00 C ATOM 683 ND1 HIS A 44 -45.539 -11.093 0.416 1.00 1.00 N ATOM 684 CD2 HIS A 44 -45.152 -13.146 1.107 1.00 1.00 C ATOM 685 CE1 HIS A 44 -44.334 -11.449 -0.006 1.00 1.00 C ATOM 686 NE2 HIS A 44 -44.096 -12.722 0.423 1.00 1.00 N ATOM 0 H HIS A 44 -46.142 -10.360 3.149 1.00 1.00 H new ATOM 0 HA HIS A 44 -48.473 -12.104 3.604 1.00 1.00 H new ATOM 0 HB2 HIS A 44 -48.015 -12.980 1.458 1.00 1.00 H new ATOM 0 HB3 HIS A 44 -47.990 -11.231 1.355 1.00 1.00 H new ATOM 0 HD1 HIS A 44 -45.989 -10.193 0.247 1.00 1.00 H new ATOM 0 HD2 HIS A 44 -45.256 -14.116 1.571 1.00 1.00 H new ATOM 0 HE1 HIS A 44 -43.659 -10.838 -0.587 1.00 1.00 H new ATOM 694 N GLN A 45 -47.282 -14.285 4.038 1.00 1.00 N ATOM 695 CA GLN A 45 -46.645 -15.446 4.636 1.00 1.00 C ATOM 696 C GLN A 45 -45.951 -16.284 3.561 1.00 1.00 C ATOM 697 O GLN A 45 -46.094 -16.013 2.370 1.00 1.00 O ATOM 698 CB GLN A 45 -47.659 -16.287 5.416 1.00 1.00 C ATOM 699 CG GLN A 45 -48.533 -15.403 6.308 1.00 1.00 C ATOM 700 CD GLN A 45 -47.827 -15.088 7.628 1.00 1.00 C ATOM 701 OE1 GLN A 45 -46.972 -14.222 7.713 1.00 1.00 O ATOM 702 NE2 GLN A 45 -48.231 -15.837 8.650 1.00 1.00 N ATOM 0 H GLN A 45 -48.239 -14.439 3.721 1.00 1.00 H new ATOM 0 HA GLN A 45 -45.890 -15.098 5.342 1.00 1.00 H new ATOM 0 HB2 GLN A 45 -48.288 -16.843 4.720 1.00 1.00 H new ATOM 0 HB3 GLN A 45 -47.134 -17.021 6.027 1.00 1.00 H new ATOM 0 HG2 GLN A 45 -48.769 -14.475 5.787 1.00 1.00 H new ATOM 0 HG3 GLN A 45 -49.479 -15.905 6.508 1.00 1.00 H new ATOM 0 HE21 GLN A 45 -48.952 -16.545 8.510 1.00 1.00 H new ATOM 0 HE22 GLN A 45 -47.820 -15.703 9.574 1.00 1.00 H new ATOM 711 N MET A 46 -45.213 -17.284 4.020 1.00 1.00 N ATOM 712 CA MET A 46 -44.495 -18.163 3.112 1.00 1.00 C ATOM 713 C MET A 46 -45.456 -18.844 2.135 1.00 1.00 C ATOM 714 O MET A 46 -45.129 -19.025 0.963 1.00 1.00 O ATOM 715 CB MET A 46 -43.746 -19.227 3.917 1.00 1.00 C ATOM 716 CG MET A 46 -44.711 -20.041 4.781 1.00 1.00 C ATOM 717 SD MET A 46 -43.813 -21.289 5.688 1.00 1.00 S ATOM 718 CE MET A 46 -43.243 -20.317 7.072 1.00 1.00 C ATOM 0 H MET A 46 -45.097 -17.505 5.009 1.00 1.00 H new ATOM 0 HA MET A 46 -43.788 -17.564 2.539 1.00 1.00 H new ATOM 0 HB2 MET A 46 -43.211 -19.891 3.239 1.00 1.00 H new ATOM 0 HB3 MET A 46 -42.999 -18.750 4.551 1.00 1.00 H new ATOM 0 HG2 MET A 46 -45.236 -19.383 5.474 1.00 1.00 H new ATOM 0 HG3 MET A 46 -45.468 -20.510 4.152 1.00 1.00 H new ATOM 0 HE1 MET A 46 -42.690 -20.955 7.761 1.00 1.00 H new ATOM 0 HE2 MET A 46 -42.592 -19.520 6.713 1.00 1.00 H new ATOM 0 HE3 MET A 46 -44.099 -19.882 7.588 1.00 1.00 H new ATOM 728 N LYS A 47 -46.621 -19.202 2.653 1.00 1.00 N ATOM 729 CA LYS A 47 -47.631 -19.859 1.841 1.00 1.00 C ATOM 730 C LYS A 47 -48.149 -18.878 0.787 1.00 1.00 C ATOM 731 O LYS A 47 -48.671 -19.291 -0.248 1.00 1.00 O ATOM 732 CB LYS A 47 -48.731 -20.447 2.726 1.00 1.00 C ATOM 733 CG LYS A 47 -49.234 -21.779 2.165 1.00 1.00 C ATOM 734 CD LYS A 47 -50.256 -21.553 1.049 1.00 1.00 C ATOM 735 CE LYS A 47 -51.283 -22.687 1.008 1.00 1.00 C ATOM 736 NZ LYS A 47 -51.777 -22.889 -0.372 1.00 1.00 N ATOM 0 H LYS A 47 -46.888 -19.050 3.625 1.00 1.00 H new ATOM 0 HA LYS A 47 -47.199 -20.704 1.306 1.00 1.00 H new ATOM 0 HB2 LYS A 47 -48.349 -20.595 3.736 1.00 1.00 H new ATOM 0 HB3 LYS A 47 -49.560 -19.743 2.798 1.00 1.00 H new ATOM 0 HG2 LYS A 47 -48.393 -22.357 1.781 1.00 1.00 H new ATOM 0 HG3 LYS A 47 -49.686 -22.367 2.964 1.00 1.00 H new ATOM 0 HD2 LYS A 47 -50.765 -20.602 1.204 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -49.743 -21.487 0.089 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -50.832 -23.608 1.377 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -52.118 -22.454 1.669 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -52.473 -23.662 -0.382 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 -52.226 -22.014 -0.712 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -50.980 -23.133 -0.994 1.00 1.00 H new ATOM 749 N ASP A 48 -47.986 -17.598 1.085 1.00 1.00 N ATOM 750 CA ASP A 48 -48.430 -16.555 0.176 1.00 1.00 C ATOM 751 C ASP A 48 -47.211 -15.884 -0.459 1.00 1.00 C ATOM 752 O ASP A 48 -47.313 -14.782 -0.995 1.00 1.00 O ATOM 753 CB ASP A 48 -49.227 -15.480 0.919 1.00 1.00 C ATOM 754 CG ASP A 48 -49.868 -14.417 0.024 1.00 1.00 C ATOM 755 OD1 ASP A 48 -49.221 -13.434 -0.364 1.00 1.00 O ATOM 756 OD2 ASP A 48 -51.104 -14.632 -0.279 1.00 1.00 O ATOM 0 H ASP A 48 -47.552 -17.259 1.944 1.00 1.00 H new ATOM 0 HA ASP A 48 -49.064 -17.016 -0.582 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -50.011 -15.966 1.499 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -48.566 -14.985 1.630 1.00 1.00 H new ATOM 762 N CYS A 49 -46.085 -16.578 -0.379 1.00 1.00 N ATOM 763 CA CYS A 49 -44.847 -16.064 -0.939 1.00 1.00 C ATOM 764 C CYS A 49 -44.924 -16.182 -2.463 1.00 1.00 C ATOM 765 O CYS A 49 -44.876 -17.284 -3.007 1.00 1.00 O ATOM 766 CB CYS A 49 -43.625 -16.789 -0.372 1.00 1.00 C ATOM 767 SG CYS A 49 -42.090 -15.992 -0.971 1.00 1.00 S ATOM 0 H CYS A 49 -46.004 -17.492 0.066 1.00 1.00 H new ATOM 0 HA CYS A 49 -44.727 -15.017 -0.662 1.00 1.00 H new ATOM 0 HB2 CYS A 49 -43.653 -16.769 0.717 1.00 1.00 H new ATOM 0 HB3 CYS A 49 -43.642 -17.837 -0.672 1.00 1.00 H new ATOM 772 N THR A 50 -45.042 -15.031 -3.108 1.00 1.00 N ATOM 773 CA THR A 50 -45.126 -14.991 -4.558 1.00 1.00 C ATOM 774 C THR A 50 -43.742 -15.189 -5.178 1.00 1.00 C ATOM 775 O THR A 50 -43.597 -15.174 -6.400 1.00 1.00 O ATOM 776 CB THR A 50 -45.787 -13.670 -4.957 1.00 1.00 C ATOM 777 OG1 THR A 50 -45.006 -12.677 -4.297 1.00 1.00 O ATOM 778 CG2 THR A 50 -47.183 -13.508 -4.353 1.00 1.00 C ATOM 0 H THR A 50 -45.081 -14.119 -2.653 1.00 1.00 H new ATOM 0 HA THR A 50 -45.739 -15.807 -4.941 1.00 1.00 H new ATOM 0 HB THR A 50 -45.852 -13.611 -6.043 1.00 1.00 H new ATOM 0 HG1 THR A 50 -45.365 -11.789 -4.503 1.00 1.00 H new ATOM 0 HG21 THR A 50 -47.607 -12.554 -4.667 1.00 1.00 H new ATOM 0 HG22 THR A 50 -47.824 -14.321 -4.695 1.00 1.00 H new ATOM 0 HG23 THR A 50 -47.114 -13.534 -3.265 1.00 1.00 H new ATOM 786 N GLU A 51 -42.759 -15.370 -4.308 1.00 1.00 N ATOM 787 CA GLU A 51 -41.391 -15.571 -4.755 1.00 1.00 C ATOM 788 C GLU A 51 -40.790 -14.249 -5.236 1.00 1.00 C ATOM 789 O GLU A 51 -39.783 -13.790 -4.700 1.00 1.00 O ATOM 790 CB GLU A 51 -41.324 -16.636 -5.852 1.00 1.00 C ATOM 791 CG GLU A 51 -39.973 -17.354 -5.837 1.00 1.00 C ATOM 792 CD GLU A 51 -39.957 -18.513 -6.835 1.00 1.00 C ATOM 793 OE1 GLU A 51 -40.969 -19.214 -6.988 1.00 1.00 O ATOM 794 OE2 GLU A 51 -38.844 -18.674 -7.467 1.00 1.00 O ATOM 0 H GLU A 51 -42.883 -15.382 -3.296 1.00 1.00 H new ATOM 0 HA GLU A 51 -40.802 -15.929 -3.911 1.00 1.00 H new ATOM 0 HB2 GLU A 51 -42.126 -17.360 -5.710 1.00 1.00 H new ATOM 0 HB3 GLU A 51 -41.482 -16.171 -6.825 1.00 1.00 H new ATOM 0 HG2 GLU A 51 -39.179 -16.648 -6.081 1.00 1.00 H new ATOM 0 HG3 GLU A 51 -39.768 -17.730 -4.835 1.00 1.00 H new ATOM 802 N ARG A 52 -41.433 -13.675 -6.242 1.00 1.00 N ATOM 803 CA ARG A 52 -40.975 -12.415 -6.801 1.00 1.00 C ATOM 804 C ARG A 52 -39.702 -12.630 -7.623 1.00 1.00 C ATOM 805 O ARG A 52 -39.666 -12.319 -8.812 1.00 1.00 O ATOM 806 CB ARG A 52 -40.694 -11.392 -5.699 1.00 1.00 C ATOM 807 CG ARG A 52 -40.604 -9.977 -6.273 1.00 1.00 C ATOM 808 CD ARG A 52 -41.950 -9.257 -6.172 1.00 1.00 C ATOM 809 NE ARG A 52 -41.738 -7.793 -6.130 1.00 1.00 N ATOM 810 CZ ARG A 52 -42.731 -6.882 -6.216 1.00 1.00 C ATOM 811 NH1 ARG A 52 -44.015 -7.278 -6.350 1.00 1.00 N ATOM 812 NH2 ARG A 52 -42.428 -5.598 -6.167 1.00 1.00 N ATOM 0 H ARG A 52 -42.268 -14.060 -6.684 1.00 1.00 H new ATOM 0 HA ARG A 52 -41.767 -12.031 -7.444 1.00 1.00 H new ATOM 0 HB2 ARG A 52 -41.484 -11.434 -4.949 1.00 1.00 H new ATOM 0 HB3 ARG A 52 -39.761 -11.643 -5.194 1.00 1.00 H new ATOM 0 HG2 ARG A 52 -39.843 -9.411 -5.736 1.00 1.00 H new ATOM 0 HG3 ARG A 52 -40.290 -10.023 -7.316 1.00 1.00 H new ATOM 0 HD2 ARG A 52 -42.576 -9.518 -7.025 1.00 1.00 H new ATOM 0 HD3 ARG A 52 -42.480 -9.582 -5.276 1.00 1.00 H new ATOM 0 HE ARG A 52 -40.782 -7.451 -6.030 1.00 1.00 H new ATOM 0 HH11 ARG A 52 -44.241 -8.272 -6.387 1.00 1.00 H new ATOM 0 HH12 ARG A 52 -44.759 -6.583 -6.414 1.00 1.00 H new ATOM 0 HH21 ARG A 52 -41.456 -5.307 -6.066 1.00 1.00 H new ATOM 0 HH22 ARG A 52 -43.166 -4.897 -6.231 1.00 1.00 H new ATOM 825 N GLN A 53 -38.688 -13.162 -6.956 1.00 1.00 N ATOM 826 CA GLN A 53 -37.417 -13.423 -7.609 1.00 1.00 C ATOM 827 C GLN A 53 -37.548 -14.605 -8.572 1.00 1.00 C ATOM 828 O GLN A 53 -37.332 -15.753 -8.184 1.00 1.00 O ATOM 829 CB GLN A 53 -36.313 -13.674 -6.580 1.00 1.00 C ATOM 830 CG GLN A 53 -35.702 -12.356 -6.100 1.00 1.00 C ATOM 831 CD GLN A 53 -35.178 -12.484 -4.668 1.00 1.00 C ATOM 832 OE1 GLN A 53 -35.150 -13.555 -4.083 1.00 1.00 O ATOM 833 NE2 GLN A 53 -34.767 -11.336 -4.137 1.00 1.00 N ATOM 0 H GLN A 53 -38.721 -13.419 -5.970 1.00 1.00 H new ATOM 0 HA GLN A 53 -37.138 -12.540 -8.184 1.00 1.00 H new ATOM 0 HB2 GLN A 53 -36.721 -14.221 -5.730 1.00 1.00 H new ATOM 0 HB3 GLN A 53 -35.537 -14.300 -7.019 1.00 1.00 H new ATOM 0 HG2 GLN A 53 -34.888 -12.065 -6.764 1.00 1.00 H new ATOM 0 HG3 GLN A 53 -36.451 -11.565 -6.148 1.00 1.00 H new ATOM 0 HE21 GLN A 53 -34.818 -10.475 -4.682 1.00 1.00 H new ATOM 0 HE22 GLN A 53 -34.401 -11.317 -3.185 1.00 1.00 H new ATOM 842 N ALA A 54 -37.900 -14.284 -9.808 1.00 1.00 N ATOM 843 CA ALA A 54 -38.062 -15.305 -10.829 1.00 1.00 C ATOM 844 C ALA A 54 -37.967 -14.657 -12.212 1.00 1.00 C ATOM 845 O ALA A 54 -37.083 -14.992 -12.999 1.00 1.00 O ATOM 846 CB ALA A 54 -39.391 -16.034 -10.616 1.00 1.00 C ATOM 0 H ALA A 54 -38.078 -13.331 -10.126 1.00 1.00 H new ATOM 0 HA ALA A 54 -37.268 -16.048 -10.758 1.00 1.00 H new ATOM 0 HB1 ALA A 54 -39.513 -16.800 -11.382 1.00 1.00 H new ATOM 0 HB2 ALA A 54 -39.396 -16.501 -9.631 1.00 1.00 H new ATOM 0 HB3 ALA A 54 -40.212 -15.320 -10.683 1.00 1.00 H new ATOM 852 N ASN A 55 -38.891 -13.741 -12.465 1.00 1.00 N ATOM 853 CA ASN A 55 -38.922 -13.044 -13.740 1.00 1.00 C ATOM 854 C ASN A 55 -40.107 -12.076 -13.757 1.00 1.00 C ATOM 855 O ASN A 55 -40.554 -11.617 -12.707 1.00 1.00 O ATOM 856 CB ASN A 55 -39.095 -14.025 -14.901 1.00 1.00 C ATOM 857 CG ASN A 55 -40.508 -14.612 -14.917 1.00 1.00 C ATOM 858 OD1 ASN A 55 -40.747 -15.472 -13.930 1.00 1.00 O flip ATOM 859 ND2 ASN A 55 -41.326 -14.306 -15.768 1.00 1.00 N flip ATOM 0 H ASN A 55 -39.623 -13.466 -11.810 1.00 1.00 H new ATOM 0 HA ASN A 55 -37.978 -12.512 -13.857 1.00 1.00 H new ATOM 0 HB2 ASN A 55 -38.898 -13.516 -15.844 1.00 1.00 H new ATOM 0 HB3 ASN A 55 -38.364 -14.829 -14.814 1.00 1.00 H new ATOM 0 HD21 ASN A 55 -41.077 -13.639 -16.498 1.00 1.00 H new ATOM 0 HD22 ASN A 55 -42.259 -14.717 -15.749 1.00 1.00 H new TER 866 ASN A 55 HETATM 867 ZN ZN A 56 -32.205 -4.674 12.227 1.00 1.00 ZN HETATM 868 ZN ZN A 57 -42.507 -13.931 -0.033 1.00 1.00 ZN