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 Single : A 1 MET CE :methyl -160:sc= -0.039 (180deg=-0.418) USER MOD Single : A 1 MET N :NH3+ 176:sc= 0.399 (180deg=0.388) USER MOD Single : A 2 GLN : amide:sc= -1.16 K(o=-1.2,f=-3.9!) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 ASN : amide:sc= -6.32! C(o=-6.3!,f=-6.9!) USER MOD Single : A 9 GLN : amide:sc= -1.1 K(o=-1.1,f=-3!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 148:sc=-0.00796 (180deg=-0.851) USER MOD Single : A 17 ASN : amide:sc= 1.16 K(o=1.2,f=-1) USER MOD Single : A 20 LYS NZ :NH3+ 157:sc= 0.412 (180deg=0.0953) USER MOD Single : A 26 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000295) USER MOD Single : A 27 ASN : amide:sc= -0.78 K(o=-0.78,f=-1.7) 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+ 159:sc= -0.0884 (180deg=-0.924) 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 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -39:sc= 0.739 USER MOD Single : A 53 GLN : amide:sc= -0.125 K(o=-0.13,f=-0.93) USER MOD Single : A 55 ASN : amide:sc= -0.34 K(o=-0.34,f=-2.5!) 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 1.461 0.975 -2.253 1.00 1.00 C ATOM 4 O MET A 1 2.146 1.865 -2.756 1.00 1.00 O ATOM 5 CB MET A 1 2.078 -1.411 -1.838 1.00 1.00 C ATOM 6 CG MET A 1 3.010 -1.493 -3.049 1.00 1.00 C ATOM 7 SD MET A 1 3.129 -3.182 -3.614 1.00 1.00 S ATOM 8 CE MET A 1 4.201 -3.855 -2.355 1.00 1.00 C ATOM 0 H1 MET A 1 1.719 -0.718 0.642 1.00 1.00 H new ATOM 0 H2 MET A 1 1.393 0.937 0.446 1.00 1.00 H new ATOM 0 H3 MET A 1 0.327 -0.220 -0.194 1.00 1.00 H new ATOM 0 HA MET A 1 3.094 0.319 -1.033 1.00 1.00 H new ATOM 0 HB2 MET A 1 2.397 -2.127 -1.080 1.00 1.00 H new ATOM 0 HB3 MET A 1 1.066 -1.689 -2.134 1.00 1.00 H new ATOM 0 HG2 MET A 1 2.634 -0.858 -3.851 1.00 1.00 H new ATOM 0 HG3 MET A 1 3.999 -1.119 -2.783 1.00 1.00 H new ATOM 0 HE1 MET A 1 4.663 -4.771 -2.723 1.00 1.00 H new ATOM 0 HE2 MET A 1 4.977 -3.129 -2.112 1.00 1.00 H new ATOM 0 HE3 MET A 1 3.618 -4.076 -1.461 1.00 1.00 H new ATOM 18 N GLN A 2 0.178 0.776 -2.517 1.00 1.00 N ATOM 19 CA GLN A 2 -0.534 1.627 -3.455 1.00 1.00 C ATOM 20 C GLN A 2 -2.045 1.443 -3.297 1.00 1.00 C ATOM 21 O GLN A 2 -2.759 2.392 -2.977 1.00 1.00 O ATOM 22 CB GLN A 2 -0.094 1.345 -4.893 1.00 1.00 C ATOM 23 CG GLN A 2 0.722 2.510 -5.456 1.00 1.00 C ATOM 24 CD GLN A 2 -0.133 3.773 -5.571 1.00 1.00 C ATOM 25 OE1 GLN A 2 -0.545 4.367 -4.588 1.00 1.00 O ATOM 26 NE2 GLN A 2 -0.377 4.150 -6.823 1.00 1.00 N ATOM 0 H GLN A 2 -0.387 0.038 -2.098 1.00 1.00 H new ATOM 0 HA GLN A 2 -0.289 2.666 -3.232 1.00 1.00 H new ATOM 0 HB2 GLN A 2 0.501 0.432 -4.922 1.00 1.00 H new ATOM 0 HB3 GLN A 2 -0.970 1.175 -5.518 1.00 1.00 H new ATOM 0 HG2 GLN A 2 1.579 2.704 -4.811 1.00 1.00 H new ATOM 0 HG3 GLN A 2 1.116 2.243 -6.437 1.00 1.00 H new ATOM 0 HE21 GLN A 2 -0.002 3.608 -7.601 1.00 1.00 H new ATOM 0 HE22 GLN A 2 -0.939 4.981 -7.005 1.00 1.00 H new ATOM 35 N LYS A 3 -2.487 0.216 -3.530 1.00 1.00 N ATOM 36 CA LYS A 3 -3.899 -0.105 -3.417 1.00 1.00 C ATOM 37 C LYS A 3 -4.361 0.143 -1.980 1.00 1.00 C ATOM 38 O LYS A 3 -5.503 0.539 -1.750 1.00 1.00 O ATOM 39 CB LYS A 3 -4.168 -1.527 -3.913 1.00 1.00 C ATOM 40 CG LYS A 3 -3.301 -2.541 -3.164 1.00 1.00 C ATOM 41 CD LYS A 3 -2.240 -3.143 -4.087 1.00 1.00 C ATOM 42 CE LYS A 3 -2.845 -4.223 -4.987 1.00 1.00 C ATOM 43 NZ LYS A 3 -1.786 -4.896 -5.772 1.00 1.00 N ATOM 0 H LYS A 3 -1.892 -0.568 -3.797 1.00 1.00 H new ATOM 0 HA LYS A 3 -4.490 0.548 -4.059 1.00 1.00 H new ATOM 0 HB2 LYS A 3 -5.221 -1.771 -3.775 1.00 1.00 H new ATOM 0 HB3 LYS A 3 -3.964 -1.588 -4.982 1.00 1.00 H new ATOM 0 HG2 LYS A 3 -2.817 -2.055 -2.316 1.00 1.00 H new ATOM 0 HG3 LYS A 3 -3.930 -3.335 -2.761 1.00 1.00 H new ATOM 0 HD2 LYS A 3 -1.799 -2.358 -4.701 1.00 1.00 H new ATOM 0 HD3 LYS A 3 -1.434 -3.571 -3.490 1.00 1.00 H new ATOM 0 HE2 LYS A 3 -3.377 -4.955 -4.379 1.00 1.00 H new ATOM 0 HE3 LYS A 3 -3.577 -3.776 -5.660 1.00 1.00 H new ATOM 0 HZ1 LYS A 3 -2.213 -5.626 -6.377 1.00 1.00 H new ATOM 0 HZ2 LYS A 3 -1.297 -4.197 -6.366 1.00 1.00 H new ATOM 0 HZ3 LYS A 3 -1.103 -5.339 -5.125 1.00 1.00 H new ATOM 56 N GLY A 4 -3.450 -0.101 -1.049 1.00 1.00 N ATOM 57 CA GLY A 4 -3.750 0.090 0.360 1.00 1.00 C ATOM 58 C GLY A 4 -2.628 0.860 1.059 1.00 1.00 C ATOM 59 O GLY A 4 -1.450 0.626 0.794 1.00 1.00 O ATOM 0 H GLY A 4 -2.504 -0.429 -1.243 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -4.689 0.633 0.465 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -3.886 -0.879 0.841 1.00 1.00 H new ATOM 63 N ASN A 5 -3.033 1.764 1.939 1.00 1.00 N ATOM 64 CA ASN A 5 -2.077 2.570 2.678 1.00 1.00 C ATOM 65 C ASN A 5 -1.683 1.837 3.962 1.00 1.00 C ATOM 66 O ASN A 5 -2.395 1.905 4.963 1.00 1.00 O ATOM 67 CB ASN A 5 -2.681 3.920 3.071 1.00 1.00 C ATOM 68 CG ASN A 5 -2.451 4.963 1.976 1.00 1.00 C ATOM 69 OD1 ASN A 5 -1.665 5.885 2.116 1.00 1.00 O ATOM 70 ND2 ASN A 5 -3.180 4.766 0.880 1.00 1.00 N ATOM 0 H ASN A 5 -4.011 1.956 2.157 1.00 1.00 H new ATOM 0 HA ASN A 5 -1.210 2.735 2.038 1.00 1.00 H new ATOM 0 HB2 ASN A 5 -3.750 3.806 3.251 1.00 1.00 H new ATOM 0 HB3 ASN A 5 -2.236 4.264 4.005 1.00 1.00 H new ATOM 0 HD21 ASN A 5 -3.099 5.408 0.091 1.00 1.00 H new ATOM 0 HD22 ASN A 5 -3.820 3.973 0.829 1.00 1.00 H new ATOM 77 N PHE A 6 -0.551 1.153 3.891 1.00 1.00 N ATOM 78 CA PHE A 6 -0.054 0.408 5.036 1.00 1.00 C ATOM 79 C PHE A 6 -0.064 1.271 6.299 1.00 1.00 C ATOM 80 O PHE A 6 -0.285 2.479 6.227 1.00 1.00 O ATOM 81 CB PHE A 6 1.388 0.008 4.717 1.00 1.00 C ATOM 82 CG PHE A 6 1.521 -1.362 4.049 1.00 1.00 C ATOM 83 CD1 PHE A 6 0.882 -2.441 4.576 1.00 1.00 C ATOM 84 CD2 PHE A 6 2.278 -1.502 2.928 1.00 1.00 C ATOM 85 CE1 PHE A 6 1.005 -3.712 3.956 1.00 1.00 C ATOM 86 CE2 PHE A 6 2.401 -2.774 2.308 1.00 1.00 C ATOM 87 CZ PHE A 6 1.762 -3.852 2.835 1.00 1.00 C ATOM 0 H PHE A 6 0.036 1.099 3.059 1.00 1.00 H new ATOM 0 HA PHE A 6 -0.687 -0.461 5.218 1.00 1.00 H new ATOM 0 HB2 PHE A 6 1.828 0.763 4.065 1.00 1.00 H new ATOM 0 HB3 PHE A 6 1.967 0.008 5.641 1.00 1.00 H new ATOM 0 HD1 PHE A 6 0.281 -2.331 5.466 1.00 1.00 H new ATOM 0 HD2 PHE A 6 2.786 -0.646 2.509 1.00 1.00 H new ATOM 0 HE1 PHE A 6 0.497 -4.568 4.375 1.00 1.00 H new ATOM 0 HE2 PHE A 6 3.002 -2.885 1.418 1.00 1.00 H new ATOM 0 HZ PHE A 6 1.856 -4.819 2.364 1.00 1.00 H new ATOM 97 N ARG A 7 0.178 0.618 7.426 1.00 1.00 N ATOM 98 CA ARG A 7 0.199 1.310 8.703 1.00 1.00 C ATOM 99 C ARG A 7 1.445 0.917 9.499 1.00 1.00 C ATOM 100 O ARG A 7 1.399 -0.001 10.316 1.00 1.00 O ATOM 101 CB ARG A 7 -1.048 0.986 9.527 1.00 1.00 C ATOM 102 CG ARG A 7 -1.361 2.111 10.515 1.00 1.00 C ATOM 103 CD ARG A 7 -2.649 1.820 11.287 1.00 1.00 C ATOM 104 NE ARG A 7 -2.408 0.763 12.294 1.00 1.00 N ATOM 105 CZ ARG A 7 -2.516 -0.559 12.044 1.00 1.00 C ATOM 106 NH1 ARG A 7 -2.863 -0.998 10.816 1.00 1.00 N ATOM 107 NH2 ARG A 7 -2.278 -1.417 13.019 1.00 1.00 N ATOM 0 H ARG A 7 0.361 -0.384 7.481 1.00 1.00 H new ATOM 0 HA ARG A 7 0.216 2.381 8.499 1.00 1.00 H new ATOM 0 HB2 ARG A 7 -1.898 0.835 8.862 1.00 1.00 H new ATOM 0 HB3 ARG A 7 -0.897 0.053 10.069 1.00 1.00 H new ATOM 0 HG2 ARG A 7 -0.532 2.227 11.214 1.00 1.00 H new ATOM 0 HG3 ARG A 7 -1.460 3.054 9.978 1.00 1.00 H new ATOM 0 HD2 ARG A 7 -3.002 2.727 11.777 1.00 1.00 H new ATOM 0 HD3 ARG A 7 -3.433 1.505 10.598 1.00 1.00 H new ATOM 0 HE ARG A 7 -2.144 1.051 13.236 1.00 1.00 H new ATOM 0 HH11 ARG A 7 -3.046 -0.329 10.068 1.00 1.00 H new ATOM 0 HH12 ARG A 7 -2.942 -1.999 10.636 1.00 1.00 H new ATOM 0 HH21 ARG A 7 -2.017 -1.077 13.945 1.00 1.00 H new ATOM 0 HH22 ARG A 7 -2.355 -2.419 12.846 1.00 1.00 H new ATOM 120 N ASN A 8 2.529 1.631 9.233 1.00 1.00 N ATOM 121 CA ASN A 8 3.785 1.368 9.915 1.00 1.00 C ATOM 122 C ASN A 8 4.019 -0.142 9.977 1.00 1.00 C ATOM 123 O ASN A 8 3.346 -0.908 9.288 1.00 1.00 O ATOM 124 CB ASN A 8 3.755 1.902 11.348 1.00 1.00 C ATOM 125 CG ASN A 8 2.765 1.112 12.207 1.00 1.00 C ATOM 126 OD1 ASN A 8 1.579 1.397 12.253 1.00 1.00 O ATOM 127 ND2 ASN A 8 3.315 0.108 12.882 1.00 1.00 N ATOM 0 H ASN A 8 2.563 2.392 8.554 1.00 1.00 H new ATOM 0 HA ASN A 8 4.581 1.866 9.362 1.00 1.00 H new ATOM 0 HB2 ASN A 8 4.752 1.839 11.784 1.00 1.00 H new ATOM 0 HB3 ASN A 8 3.476 2.956 11.341 1.00 1.00 H new ATOM 0 HD21 ASN A 8 2.737 -0.479 13.484 1.00 1.00 H new ATOM 0 HD22 ASN A 8 4.315 -0.076 12.798 1.00 1.00 H new ATOM 134 N GLN A 9 4.977 -0.526 10.809 1.00 1.00 N ATOM 135 CA GLN A 9 5.309 -1.932 10.970 1.00 1.00 C ATOM 136 C GLN A 9 5.920 -2.178 12.350 1.00 1.00 C ATOM 137 O GLN A 9 7.132 -2.061 12.526 1.00 1.00 O ATOM 138 CB GLN A 9 6.251 -2.403 9.860 1.00 1.00 C ATOM 139 CG GLN A 9 5.622 -3.540 9.053 1.00 1.00 C ATOM 140 CD GLN A 9 5.253 -4.717 9.958 1.00 1.00 C ATOM 141 OE1 GLN A 9 4.277 -4.687 10.691 1.00 1.00 O ATOM 142 NE2 GLN A 9 6.084 -5.751 9.868 1.00 1.00 N ATOM 0 H GLN A 9 5.533 0.112 11.378 1.00 1.00 H new ATOM 0 HA GLN A 9 4.391 -2.514 10.893 1.00 1.00 H new ATOM 0 HB2 GLN A 9 6.485 -1.569 9.198 1.00 1.00 H new ATOM 0 HB3 GLN A 9 7.192 -2.739 10.295 1.00 1.00 H new ATOM 0 HG2 GLN A 9 4.731 -3.177 8.541 1.00 1.00 H new ATOM 0 HG3 GLN A 9 6.318 -3.873 8.283 1.00 1.00 H new ATOM 0 HE21 GLN A 9 6.882 -5.710 9.234 1.00 1.00 H new ATOM 0 HE22 GLN A 9 5.923 -6.585 10.433 1.00 1.00 H new ATOM 151 N ARG A 10 5.054 -2.514 13.295 1.00 1.00 N ATOM 152 CA ARG A 10 5.494 -2.778 14.654 1.00 1.00 C ATOM 153 C ARG A 10 5.977 -4.223 14.785 1.00 1.00 C ATOM 154 O ARG A 10 5.765 -5.036 13.886 1.00 1.00 O ATOM 155 CB ARG A 10 4.364 -2.532 15.656 1.00 1.00 C ATOM 156 CG ARG A 10 3.184 -3.470 15.392 1.00 1.00 C ATOM 157 CD ARG A 10 2.433 -3.784 16.688 1.00 1.00 C ATOM 158 NE ARG A 10 1.614 -2.621 17.094 1.00 1.00 N ATOM 159 CZ ARG A 10 0.503 -2.214 16.443 1.00 1.00 C ATOM 160 NH1 ARG A 10 0.069 -2.874 15.349 1.00 1.00 N ATOM 161 NH2 ARG A 10 -0.152 -1.160 16.894 1.00 1.00 N ATOM 0 H ARG A 10 4.049 -2.609 13.146 1.00 1.00 H new ATOM 0 HA ARG A 10 6.315 -2.096 14.875 1.00 1.00 H new ATOM 0 HB2 ARG A 10 4.733 -2.683 16.670 1.00 1.00 H new ATOM 0 HB3 ARG A 10 4.032 -1.496 15.588 1.00 1.00 H new ATOM 0 HG2 ARG A 10 2.503 -3.011 14.675 1.00 1.00 H new ATOM 0 HG3 ARG A 10 3.544 -4.396 14.943 1.00 1.00 H new ATOM 0 HD2 ARG A 10 1.795 -4.656 16.546 1.00 1.00 H new ATOM 0 HD3 ARG A 10 3.142 -4.033 17.477 1.00 1.00 H new ATOM 0 HE ARG A 10 1.907 -2.094 17.917 1.00 1.00 H new ATOM 0 HH11 ARG A 10 0.581 -3.687 15.008 1.00 1.00 H new ATOM 0 HH12 ARG A 10 -0.771 -2.560 14.864 1.00 1.00 H new ATOM 0 HH21 ARG A 10 0.183 -0.667 17.722 1.00 1.00 H new ATOM 0 HH22 ARG A 10 -0.993 -0.839 16.415 1.00 1.00 H new ATOM 174 N LYS A 11 6.618 -4.500 15.911 1.00 1.00 N ATOM 175 CA LYS A 11 7.133 -5.834 16.171 1.00 1.00 C ATOM 176 C LYS A 11 7.728 -6.406 14.883 1.00 1.00 C ATOM 177 O LYS A 11 7.699 -7.616 14.666 1.00 1.00 O ATOM 178 CB LYS A 11 6.047 -6.716 16.792 1.00 1.00 C ATOM 179 CG LYS A 11 5.314 -7.521 15.717 1.00 1.00 C ATOM 180 CD LYS A 11 3.832 -7.678 16.064 1.00 1.00 C ATOM 181 CE LYS A 11 3.309 -9.048 15.629 1.00 1.00 C ATOM 182 NZ LYS A 11 2.425 -9.620 16.669 1.00 1.00 N ATOM 0 H LYS A 11 6.793 -3.823 16.654 1.00 1.00 H new ATOM 0 HA LYS A 11 7.938 -5.795 16.905 1.00 1.00 H new ATOM 0 HB2 LYS A 11 6.495 -7.395 17.517 1.00 1.00 H new ATOM 0 HB3 LYS A 11 5.335 -6.094 17.335 1.00 1.00 H new ATOM 0 HG2 LYS A 11 5.414 -7.023 14.753 1.00 1.00 H new ATOM 0 HG3 LYS A 11 5.774 -8.504 15.617 1.00 1.00 H new ATOM 0 HD2 LYS A 11 3.691 -7.555 17.138 1.00 1.00 H new ATOM 0 HD3 LYS A 11 3.255 -6.893 15.575 1.00 1.00 H new ATOM 0 HE2 LYS A 11 2.763 -8.954 14.691 1.00 1.00 H new ATOM 0 HE3 LYS A 11 4.146 -9.721 15.444 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 2.079 -10.550 16.357 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 2.957 -9.728 17.556 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 1.617 -8.985 16.826 1.00 1.00 H new ATOM 195 N THR A 12 8.253 -5.509 14.062 1.00 1.00 N ATOM 196 CA THR A 12 8.854 -5.909 12.801 1.00 1.00 C ATOM 197 C THR A 12 10.091 -6.774 13.051 1.00 1.00 C ATOM 198 O THR A 12 11.012 -6.359 13.752 1.00 1.00 O ATOM 199 CB THR A 12 9.152 -4.642 11.996 1.00 1.00 C ATOM 200 OG1 THR A 12 10.037 -5.083 10.970 1.00 1.00 O ATOM 201 CG2 THR A 12 9.977 -3.625 12.788 1.00 1.00 C ATOM 0 H THR A 12 8.275 -4.506 14.245 1.00 1.00 H new ATOM 0 HA THR A 12 8.174 -6.530 12.218 1.00 1.00 H new ATOM 0 HB THR A 12 8.215 -4.183 11.682 1.00 1.00 H new ATOM 0 HG1 THR A 12 10.280 -4.324 10.400 1.00 1.00 H new ATOM 0 HG21 THR A 12 10.160 -2.745 12.171 1.00 1.00 H new ATOM 0 HG22 THR A 12 9.430 -3.332 13.684 1.00 1.00 H new ATOM 0 HG23 THR A 12 10.929 -4.072 13.074 1.00 1.00 H new ATOM 209 N VAL A 13 10.071 -7.962 12.464 1.00 1.00 N ATOM 210 CA VAL A 13 11.179 -8.890 12.614 1.00 1.00 C ATOM 211 C VAL A 13 11.451 -9.575 11.273 1.00 1.00 C ATOM 212 O VAL A 13 10.564 -9.661 10.425 1.00 1.00 O ATOM 213 CB VAL A 13 10.883 -9.880 13.742 1.00 1.00 C ATOM 214 CG1 VAL A 13 10.509 -9.147 15.032 1.00 1.00 C ATOM 215 CG2 VAL A 13 9.785 -10.865 13.333 1.00 1.00 C ATOM 0 H VAL A 13 9.305 -8.303 11.884 1.00 1.00 H new ATOM 0 HA VAL A 13 12.087 -8.358 12.897 1.00 1.00 H new ATOM 0 HB VAL A 13 11.792 -10.451 13.933 1.00 1.00 H new ATOM 0 HG11 VAL A 13 10.304 -9.874 15.817 1.00 1.00 H new ATOM 0 HG12 VAL A 13 11.335 -8.506 15.339 1.00 1.00 H new ATOM 0 HG13 VAL A 13 9.621 -8.538 14.860 1.00 1.00 H new ATOM 0 HG21 VAL A 13 9.594 -11.558 14.153 1.00 1.00 H new ATOM 0 HG22 VAL A 13 8.872 -10.316 13.101 1.00 1.00 H new ATOM 0 HG23 VAL A 13 10.106 -11.423 12.454 1.00 1.00 H new ATOM 225 N LYS A 14 12.681 -10.043 11.123 1.00 1.00 N ATOM 226 CA LYS A 14 13.080 -10.718 9.899 1.00 1.00 C ATOM 227 C LYS A 14 13.777 -12.033 10.251 1.00 1.00 C ATOM 228 O LYS A 14 14.761 -12.041 10.988 1.00 1.00 O ATOM 229 CB LYS A 14 13.926 -9.788 9.027 1.00 1.00 C ATOM 230 CG LYS A 14 15.377 -9.750 9.512 1.00 1.00 C ATOM 231 CD LYS A 14 16.233 -8.856 8.613 1.00 1.00 C ATOM 232 CE LYS A 14 16.798 -9.646 7.432 1.00 1.00 C ATOM 233 NZ LYS A 14 18.194 -10.057 7.703 1.00 1.00 N ATOM 0 H LYS A 14 13.414 -9.968 11.828 1.00 1.00 H new ATOM 0 HA LYS A 14 12.205 -10.971 9.300 1.00 1.00 H new ATOM 0 HB2 LYS A 14 13.894 -10.126 7.991 1.00 1.00 H new ATOM 0 HB3 LYS A 14 13.506 -8.783 9.047 1.00 1.00 H new ATOM 0 HG2 LYS A 14 15.412 -9.381 10.537 1.00 1.00 H new ATOM 0 HG3 LYS A 14 15.787 -10.760 9.523 1.00 1.00 H new ATOM 0 HD2 LYS A 14 15.633 -8.024 8.245 1.00 1.00 H new ATOM 0 HD3 LYS A 14 17.051 -8.428 9.193 1.00 1.00 H new ATOM 0 HE2 LYS A 14 16.183 -10.527 7.248 1.00 1.00 H new ATOM 0 HE3 LYS A 14 16.761 -9.037 6.529 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 18.385 -10.967 7.237 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 18.846 -9.336 7.334 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 18.334 -10.157 8.729 1.00 1.00 H new ATOM 246 N CYS A 15 13.238 -13.115 9.707 1.00 1.00 N ATOM 247 CA CYS A 15 13.796 -14.434 9.955 1.00 1.00 C ATOM 248 C CYS A 15 15.150 -14.523 9.248 1.00 1.00 C ATOM 249 O CYS A 15 15.214 -14.517 8.019 1.00 1.00 O ATOM 250 CB CYS A 15 12.844 -15.544 9.506 1.00 1.00 C ATOM 251 SG CYS A 15 13.618 -17.180 9.778 1.00 1.00 S ATOM 0 H CYS A 15 12.421 -13.105 9.096 1.00 1.00 H new ATOM 0 HA CYS A 15 13.936 -14.577 11.026 1.00 1.00 H new ATOM 0 HB2 CYS A 15 11.908 -15.478 10.061 1.00 1.00 H new ATOM 0 HB3 CYS A 15 12.599 -15.419 8.451 1.00 1.00 H new ATOM 256 N PHE A 16 16.198 -14.605 10.054 1.00 1.00 N ATOM 257 CA PHE A 16 17.547 -14.696 9.521 1.00 1.00 C ATOM 258 C PHE A 16 17.922 -16.149 9.222 1.00 1.00 C ATOM 259 O PHE A 16 19.095 -16.463 9.027 1.00 1.00 O ATOM 260 CB PHE A 16 18.490 -14.148 10.594 1.00 1.00 C ATOM 261 CG PHE A 16 19.845 -13.686 10.055 1.00 1.00 C ATOM 262 CD1 PHE A 16 19.929 -12.553 9.307 1.00 1.00 C ATOM 263 CD2 PHE A 16 20.966 -14.409 10.323 1.00 1.00 C ATOM 264 CE1 PHE A 16 21.187 -12.124 8.807 1.00 1.00 C ATOM 265 CE2 PHE A 16 22.224 -13.980 9.822 1.00 1.00 C ATOM 266 CZ PHE A 16 22.308 -12.847 9.075 1.00 1.00 C ATOM 0 H PHE A 16 16.141 -14.610 11.072 1.00 1.00 H new ATOM 0 HA PHE A 16 17.618 -14.132 8.591 1.00 1.00 H new ATOM 0 HB2 PHE A 16 18.005 -13.310 11.095 1.00 1.00 H new ATOM 0 HB3 PHE A 16 18.654 -14.919 11.347 1.00 1.00 H new ATOM 0 HD1 PHE A 16 19.039 -11.980 9.093 1.00 1.00 H new ATOM 0 HD2 PHE A 16 20.899 -15.309 10.917 1.00 1.00 H new ATOM 0 HE1 PHE A 16 21.254 -11.224 8.214 1.00 1.00 H new ATOM 0 HE2 PHE A 16 23.114 -14.554 10.034 1.00 1.00 H new ATOM 0 HZ PHE A 16 23.265 -12.521 8.694 1.00 1.00 H new ATOM 276 N ASN A 17 16.903 -16.996 9.196 1.00 1.00 N ATOM 277 CA ASN A 17 17.111 -18.408 8.924 1.00 1.00 C ATOM 278 C ASN A 17 16.653 -18.721 7.498 1.00 1.00 C ATOM 279 O ASN A 17 17.342 -19.426 6.762 1.00 1.00 O ATOM 280 CB ASN A 17 16.299 -19.279 9.884 1.00 1.00 C ATOM 281 CG ASN A 17 16.796 -20.726 9.866 1.00 1.00 C ATOM 282 OD1 ASN A 17 17.940 -21.020 10.170 1.00 1.00 O ATOM 283 ND2 ASN A 17 15.874 -21.610 9.494 1.00 1.00 N ATOM 0 H ASN A 17 15.931 -16.731 9.359 1.00 1.00 H new ATOM 0 HA ASN A 17 18.172 -18.624 9.052 1.00 1.00 H new ATOM 0 HB2 ASN A 17 16.373 -18.878 10.895 1.00 1.00 H new ATOM 0 HB3 ASN A 17 15.246 -19.249 9.605 1.00 1.00 H new ATOM 0 HD21 ASN A 17 16.107 -22.602 9.450 1.00 1.00 H new ATOM 0 HD22 ASN A 17 14.934 -21.296 9.253 1.00 1.00 H new ATOM 290 N CYS A 18 15.494 -18.183 7.152 1.00 1.00 N ATOM 291 CA CYS A 18 14.936 -18.396 5.827 1.00 1.00 C ATOM 292 C CYS A 18 15.027 -17.082 5.049 1.00 1.00 C ATOM 293 O CYS A 18 15.230 -17.087 3.836 1.00 1.00 O ATOM 294 CB CYS A 18 13.500 -18.920 5.896 1.00 1.00 C ATOM 295 SG CYS A 18 12.455 -17.757 6.848 1.00 1.00 S ATOM 0 H CYS A 18 14.925 -17.600 7.766 1.00 1.00 H new ATOM 0 HA CYS A 18 15.509 -19.164 5.308 1.00 1.00 H new ATOM 0 HB2 CYS A 18 13.100 -19.041 4.890 1.00 1.00 H new ATOM 0 HB3 CYS A 18 13.485 -19.903 6.366 1.00 1.00 H new ATOM 300 N GLY A 19 14.874 -15.987 5.780 1.00 1.00 N ATOM 301 CA GLY A 19 14.937 -14.668 5.174 1.00 1.00 C ATOM 302 C GLY A 19 13.534 -14.119 4.908 1.00 1.00 C ATOM 303 O GLY A 19 13.344 -13.300 4.011 1.00 1.00 O ATOM 0 H GLY A 19 14.707 -15.987 6.786 1.00 1.00 H new ATOM 0 HA2 GLY A 19 15.479 -13.988 5.831 1.00 1.00 H new ATOM 0 HA3 GLY A 19 15.494 -14.720 4.239 1.00 1.00 H new ATOM 307 N LYS A 20 12.587 -14.593 5.705 1.00 1.00 N ATOM 308 CA LYS A 20 11.207 -14.160 5.566 1.00 1.00 C ATOM 309 C LYS A 20 10.865 -13.191 6.700 1.00 1.00 C ATOM 310 O LYS A 20 11.165 -13.459 7.862 1.00 1.00 O ATOM 311 CB LYS A 20 10.272 -15.369 5.488 1.00 1.00 C ATOM 312 CG LYS A 20 9.218 -15.177 4.395 1.00 1.00 C ATOM 313 CD LYS A 20 7.806 -15.343 4.959 1.00 1.00 C ATOM 314 CE LYS A 20 7.331 -14.056 5.636 1.00 1.00 C ATOM 315 NZ LYS A 20 6.535 -14.369 6.844 1.00 1.00 N ATOM 0 H LYS A 20 12.748 -15.272 6.449 1.00 1.00 H new ATOM 0 HA LYS A 20 11.070 -13.618 4.630 1.00 1.00 H new ATOM 0 HB2 LYS A 20 10.852 -16.269 5.285 1.00 1.00 H new ATOM 0 HB3 LYS A 20 9.781 -15.516 6.450 1.00 1.00 H new ATOM 0 HG2 LYS A 20 9.323 -14.186 3.954 1.00 1.00 H new ATOM 0 HG3 LYS A 20 9.382 -15.900 3.596 1.00 1.00 H new ATOM 0 HD2 LYS A 20 7.119 -15.611 4.156 1.00 1.00 H new ATOM 0 HD3 LYS A 20 7.792 -16.163 5.677 1.00 1.00 H new ATOM 0 HE2 LYS A 20 8.190 -13.443 5.908 1.00 1.00 H new ATOM 0 HE3 LYS A 20 6.730 -13.472 4.939 1.00 1.00 H new ATOM 0 HZ1 LYS A 20 6.550 -13.554 7.490 1.00 1.00 H new ATOM 0 HZ2 LYS A 20 5.553 -14.575 6.569 1.00 1.00 H new ATOM 0 HZ3 LYS A 20 6.942 -15.198 7.323 1.00 1.00 H new ATOM 328 N GLU A 21 10.242 -12.085 6.321 1.00 1.00 N ATOM 329 CA GLU A 21 9.856 -11.074 7.291 1.00 1.00 C ATOM 330 C GLU A 21 8.565 -11.486 8.002 1.00 1.00 C ATOM 331 O GLU A 21 7.570 -11.807 7.354 1.00 1.00 O ATOM 332 CB GLU A 21 9.702 -9.705 6.625 1.00 1.00 C ATOM 333 CG GLU A 21 8.626 -9.743 5.538 1.00 1.00 C ATOM 334 CD GLU A 21 7.515 -8.732 5.830 1.00 1.00 C ATOM 335 OE1 GLU A 21 6.624 -9.010 6.646 1.00 1.00 O ATOM 336 OE2 GLU A 21 7.600 -7.624 5.176 1.00 1.00 O ATOM 0 H GLU A 21 9.995 -11.867 5.356 1.00 1.00 H new ATOM 0 HA GLU A 21 10.648 -10.992 8.036 1.00 1.00 H new ATOM 0 HB2 GLU A 21 9.440 -8.959 7.375 1.00 1.00 H new ATOM 0 HB3 GLU A 21 10.653 -9.399 6.190 1.00 1.00 H new ATOM 0 HG2 GLU A 21 9.075 -9.525 4.569 1.00 1.00 H new ATOM 0 HG3 GLU A 21 8.203 -10.746 5.475 1.00 1.00 H new ATOM 344 N GLY A 22 8.623 -11.464 9.326 1.00 1.00 N ATOM 345 CA GLY A 22 7.472 -11.832 10.132 1.00 1.00 C ATOM 346 C GLY A 22 7.904 -12.554 11.409 1.00 1.00 C ATOM 347 O GLY A 22 7.359 -12.304 12.483 1.00 1.00 O ATOM 0 H GLY A 22 9.450 -11.197 9.860 1.00 1.00 H new ATOM 0 HA2 GLY A 22 6.904 -10.938 10.390 1.00 1.00 H new ATOM 0 HA3 GLY A 22 6.809 -12.475 9.553 1.00 1.00 H new ATOM 351 N HIS A 23 8.881 -13.435 11.251 1.00 1.00 N ATOM 352 CA HIS A 23 9.393 -14.195 12.378 1.00 1.00 C ATOM 353 C HIS A 23 10.919 -14.086 12.420 1.00 1.00 C ATOM 354 O HIS A 23 11.535 -13.587 11.480 1.00 1.00 O ATOM 355 CB HIS A 23 8.904 -15.644 12.324 1.00 1.00 C ATOM 356 CG HIS A 23 9.546 -16.469 11.234 1.00 1.00 C ATOM 357 ND1 HIS A 23 9.172 -16.376 9.905 1.00 1.00 N ATOM 358 CD2 HIS A 23 10.541 -17.400 11.290 1.00 1.00 C ATOM 359 CE1 HIS A 23 9.914 -17.219 9.202 1.00 1.00 C ATOM 360 NE2 HIS A 23 10.761 -17.853 10.062 1.00 1.00 N ATOM 0 H HIS A 23 9.332 -13.639 10.359 1.00 1.00 H new ATOM 0 HA HIS A 23 9.007 -13.777 13.308 1.00 1.00 H new ATOM 0 HB2 HIS A 23 9.098 -16.118 13.286 1.00 1.00 H new ATOM 0 HB3 HIS A 23 7.824 -15.647 12.179 1.00 1.00 H new ATOM 0 HD1 HIS A 23 8.448 -15.763 9.530 1.00 1.00 H new ATOM 0 HD2 HIS A 23 11.062 -17.715 12.182 1.00 1.00 H new ATOM 0 HE1 HIS A 23 9.858 -17.376 8.135 1.00 1.00 H new ATOM 368 N ILE A 24 11.484 -14.560 13.521 1.00 1.00 N ATOM 369 CA ILE A 24 12.925 -14.522 13.698 1.00 1.00 C ATOM 370 C ILE A 24 13.514 -15.892 13.353 1.00 1.00 C ATOM 371 O ILE A 24 12.788 -16.881 13.275 1.00 1.00 O ATOM 372 CB ILE A 24 13.280 -14.037 15.105 1.00 1.00 C ATOM 373 CG1 ILE A 24 12.492 -14.810 16.166 1.00 1.00 C ATOM 374 CG2 ILE A 24 13.080 -12.526 15.231 1.00 1.00 C ATOM 375 CD1 ILE A 24 13.046 -14.538 17.566 1.00 1.00 C ATOM 0 H ILE A 24 10.969 -14.972 14.299 1.00 1.00 H new ATOM 0 HA ILE A 24 13.373 -13.801 13.015 1.00 1.00 H new ATOM 0 HB ILE A 24 14.337 -14.237 15.279 1.00 1.00 H new ATOM 0 HG12 ILE A 24 11.441 -14.523 16.125 1.00 1.00 H new ATOM 0 HG13 ILE A 24 12.539 -15.878 15.953 1.00 1.00 H new ATOM 0 HG21 ILE A 24 13.339 -12.208 16.241 1.00 1.00 H new ATOM 0 HG22 ILE A 24 13.720 -12.013 14.513 1.00 1.00 H new ATOM 0 HG23 ILE A 24 12.038 -12.279 15.029 1.00 1.00 H new ATOM 0 HD11 ILE A 24 12.469 -15.099 18.301 1.00 1.00 H new ATOM 0 HD12 ILE A 24 14.090 -14.848 17.611 1.00 1.00 H new ATOM 0 HD13 ILE A 24 12.975 -13.473 17.785 1.00 1.00 H new ATOM 387 N ALA A 25 14.824 -15.905 13.156 1.00 1.00 N ATOM 388 CA ALA A 25 15.518 -17.136 12.821 1.00 1.00 C ATOM 389 C ALA A 25 15.308 -18.156 13.942 1.00 1.00 C ATOM 390 O ALA A 25 15.108 -19.341 13.679 1.00 1.00 O ATOM 391 CB ALA A 25 16.998 -16.838 12.575 1.00 1.00 C ATOM 0 H ALA A 25 15.423 -15.082 13.222 1.00 1.00 H new ATOM 0 HA ALA A 25 15.115 -17.566 11.904 1.00 1.00 H new ATOM 0 HB1 ALA A 25 17.518 -17.762 12.324 1.00 1.00 H new ATOM 0 HB2 ALA A 25 17.095 -16.131 11.751 1.00 1.00 H new ATOM 0 HB3 ALA A 25 17.437 -16.408 13.475 1.00 1.00 H new ATOM 397 N LYS A 26 15.360 -17.659 15.169 1.00 1.00 N ATOM 398 CA LYS A 26 15.178 -18.512 16.331 1.00 1.00 C ATOM 399 C LYS A 26 13.734 -19.016 16.366 1.00 1.00 C ATOM 400 O LYS A 26 13.433 -20.000 17.040 1.00 1.00 O ATOM 401 CB LYS A 26 15.605 -17.780 17.605 1.00 1.00 C ATOM 402 CG LYS A 26 15.605 -18.726 18.807 1.00 1.00 C ATOM 403 CD LYS A 26 14.281 -18.645 19.570 1.00 1.00 C ATOM 404 CE LYS A 26 13.846 -20.027 20.062 1.00 1.00 C ATOM 405 NZ LYS A 26 14.754 -20.508 21.127 1.00 1.00 N ATOM 0 H LYS A 26 15.526 -16.676 15.384 1.00 1.00 H new ATOM 0 HA LYS A 26 15.821 -19.389 16.265 1.00 1.00 H new ATOM 0 HB2 LYS A 26 16.601 -17.358 17.470 1.00 1.00 H new ATOM 0 HB3 LYS A 26 14.929 -16.946 17.794 1.00 1.00 H new ATOM 0 HG2 LYS A 26 15.772 -19.749 18.469 1.00 1.00 H new ATOM 0 HG3 LYS A 26 16.429 -18.472 19.474 1.00 1.00 H new ATOM 0 HD2 LYS A 26 14.387 -17.970 20.419 1.00 1.00 H new ATOM 0 HD3 LYS A 26 13.510 -18.226 18.924 1.00 1.00 H new ATOM 0 HE2 LYS A 26 12.825 -19.980 20.440 1.00 1.00 H new ATOM 0 HE3 LYS A 26 13.846 -20.732 19.231 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 14.434 -21.440 21.461 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 15.720 -20.588 20.750 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 14.747 -19.835 21.920 1.00 1.00 H new ATOM 418 N ASN A 27 12.879 -18.320 15.631 1.00 1.00 N ATOM 419 CA ASN A 27 11.474 -18.685 15.570 1.00 1.00 C ATOM 420 C ASN A 27 11.160 -19.256 14.186 1.00 1.00 C ATOM 421 O ASN A 27 10.002 -19.292 13.774 1.00 1.00 O ATOM 422 CB ASN A 27 10.578 -17.465 15.793 1.00 1.00 C ATOM 423 CG ASN A 27 9.132 -17.889 16.058 1.00 1.00 C ATOM 424 OD1 ASN A 27 8.309 -17.978 15.161 1.00 1.00 O ATOM 425 ND2 ASN A 27 8.868 -18.144 17.336 1.00 1.00 N ATOM 0 H ASN A 27 13.132 -17.505 15.073 1.00 1.00 H new ATOM 0 HA ASN A 27 11.282 -19.421 16.351 1.00 1.00 H new ATOM 0 HB2 ASN A 27 10.951 -16.884 16.637 1.00 1.00 H new ATOM 0 HB3 ASN A 27 10.616 -16.816 14.918 1.00 1.00 H new ATOM 0 HD21 ASN A 27 7.931 -18.434 17.615 1.00 1.00 H new ATOM 0 HD22 ASN A 27 9.603 -18.050 18.037 1.00 1.00 H new ATOM 432 N CYS A 28 12.212 -19.688 13.506 1.00 1.00 N ATOM 433 CA CYS A 28 12.063 -20.255 12.177 1.00 1.00 C ATOM 434 C CYS A 28 11.522 -21.679 12.320 1.00 1.00 C ATOM 435 O CYS A 28 12.210 -22.559 12.836 1.00 1.00 O ATOM 436 CB CYS A 28 13.378 -20.220 11.396 1.00 1.00 C ATOM 437 SG CYS A 28 13.101 -20.781 9.677 1.00 1.00 S ATOM 0 H CYS A 28 13.171 -19.657 13.851 1.00 1.00 H new ATOM 0 HA CYS A 28 11.358 -19.656 11.600 1.00 1.00 H new ATOM 0 HB2 CYS A 28 13.784 -19.208 11.396 1.00 1.00 H new ATOM 0 HB3 CYS A 28 14.116 -20.859 11.881 1.00 1.00 H new ATOM 442 N ARG A 29 10.295 -21.861 11.855 1.00 1.00 N ATOM 443 CA ARG A 29 9.654 -23.164 11.925 1.00 1.00 C ATOM 444 C ARG A 29 10.204 -24.085 10.834 1.00 1.00 C ATOM 445 O ARG A 29 9.786 -25.236 10.720 1.00 1.00 O ATOM 446 CB ARG A 29 8.138 -23.041 11.762 1.00 1.00 C ATOM 447 CG ARG A 29 7.420 -24.240 12.383 1.00 1.00 C ATOM 448 CD ARG A 29 6.471 -23.795 13.498 1.00 1.00 C ATOM 449 NE ARG A 29 7.203 -23.708 14.781 1.00 1.00 N ATOM 450 CZ ARG A 29 6.841 -22.909 15.807 1.00 1.00 C ATOM 451 NH1 ARG A 29 5.751 -22.119 15.708 1.00 1.00 N ATOM 452 NH2 ARG A 29 7.568 -22.912 16.908 1.00 1.00 N ATOM 0 H ARG A 29 9.728 -21.129 11.428 1.00 1.00 H new ATOM 0 HA ARG A 29 9.870 -23.588 12.906 1.00 1.00 H new ATOM 0 HB2 ARG A 29 7.792 -22.121 12.233 1.00 1.00 H new ATOM 0 HB3 ARG A 29 7.887 -22.971 10.704 1.00 1.00 H new ATOM 0 HG2 ARG A 29 6.859 -24.771 11.614 1.00 1.00 H new ATOM 0 HG3 ARG A 29 8.153 -24.940 12.783 1.00 1.00 H new ATOM 0 HD2 ARG A 29 6.036 -22.826 13.252 1.00 1.00 H new ATOM 0 HD3 ARG A 29 5.646 -24.501 13.588 1.00 1.00 H new ATOM 0 HE ARG A 29 8.034 -24.288 14.897 1.00 1.00 H new ATOM 0 HH11 ARG A 29 5.194 -22.123 14.853 1.00 1.00 H new ATOM 0 HH12 ARG A 29 5.484 -21.518 16.488 1.00 1.00 H new ATOM 0 HH21 ARG A 29 8.390 -23.512 16.975 1.00 1.00 H new ATOM 0 HH22 ARG A 29 7.308 -22.314 17.692 1.00 1.00 H new ATOM 465 N ALA A 30 11.134 -23.545 10.061 1.00 1.00 N ATOM 466 CA ALA A 30 11.745 -24.304 8.983 1.00 1.00 C ATOM 467 C ALA A 30 13.198 -24.618 9.348 1.00 1.00 C ATOM 468 O ALA A 30 13.821 -23.888 10.117 1.00 1.00 O ATOM 469 CB ALA A 30 11.629 -23.519 7.675 1.00 1.00 C ATOM 0 H ALA A 30 11.480 -22.590 10.160 1.00 1.00 H new ATOM 0 HA ALA A 30 11.228 -25.253 8.840 1.00 1.00 H new ATOM 0 HB1 ALA A 30 12.088 -24.089 6.867 1.00 1.00 H new ATOM 0 HB2 ALA A 30 10.577 -23.347 7.446 1.00 1.00 H new ATOM 0 HB3 ALA A 30 12.139 -22.562 7.779 1.00 1.00 H new ATOM 475 N PRO A 31 13.708 -25.735 8.763 1.00 1.00 N ATOM 476 CA PRO A 31 15.076 -26.155 9.018 1.00 1.00 C ATOM 477 C PRO A 31 16.071 -25.266 8.270 1.00 1.00 C ATOM 478 O PRO A 31 16.775 -24.464 8.882 1.00 1.00 O ATOM 479 CB PRO A 31 15.130 -27.609 8.577 1.00 1.00 C ATOM 480 CG PRO A 31 13.930 -27.813 7.666 1.00 1.00 C ATOM 481 CD PRO A 31 13.000 -26.624 7.846 1.00 1.00 C ATOM 0 HA PRO A 31 15.356 -26.060 10.067 1.00 1.00 H new ATOM 0 HB2 PRO A 31 16.060 -27.823 8.051 1.00 1.00 H new ATOM 0 HB3 PRO A 31 15.087 -28.279 9.435 1.00 1.00 H new ATOM 0 HG2 PRO A 31 14.249 -27.894 6.627 1.00 1.00 H new ATOM 0 HG3 PRO A 31 13.415 -28.741 7.915 1.00 1.00 H new ATOM 0 HD2 PRO A 31 12.798 -26.132 6.895 1.00 1.00 H new ATOM 0 HD3 PRO A 31 12.038 -26.932 8.256 1.00 1.00 H new ATOM 489 N ARG A 32 16.098 -25.438 6.956 1.00 1.00 N ATOM 490 CA ARG A 32 16.996 -24.662 6.118 1.00 1.00 C ATOM 491 C ARG A 32 16.196 -23.731 5.205 1.00 1.00 C ATOM 492 O ARG A 32 16.664 -22.649 4.852 1.00 1.00 O ATOM 493 CB ARG A 32 17.876 -25.573 5.261 1.00 1.00 C ATOM 494 CG ARG A 32 17.036 -26.636 4.549 1.00 1.00 C ATOM 495 CD ARG A 32 17.230 -28.010 5.194 1.00 1.00 C ATOM 496 NE ARG A 32 18.466 -28.641 4.678 1.00 1.00 N ATOM 497 CZ ARG A 32 18.518 -29.407 3.568 1.00 1.00 C ATOM 498 NH1 ARG A 32 17.403 -29.644 2.845 1.00 1.00 N ATOM 499 NH2 ARG A 32 19.677 -29.920 3.199 1.00 1.00 N ATOM 0 H ARG A 32 15.512 -26.103 6.452 1.00 1.00 H new ATOM 0 HA ARG A 32 17.636 -24.072 6.775 1.00 1.00 H new ATOM 0 HB2 ARG A 32 18.414 -24.976 4.524 1.00 1.00 H new ATOM 0 HB3 ARG A 32 18.625 -26.056 5.889 1.00 1.00 H new ATOM 0 HG2 ARG A 32 15.983 -26.358 4.587 1.00 1.00 H new ATOM 0 HG3 ARG A 32 17.316 -26.681 3.497 1.00 1.00 H new ATOM 0 HD2 ARG A 32 17.289 -27.907 6.278 1.00 1.00 H new ATOM 0 HD3 ARG A 32 16.371 -28.646 4.981 1.00 1.00 H new ATOM 0 HE ARG A 32 19.332 -28.487 5.194 1.00 1.00 H new ATOM 0 HH11 ARG A 32 16.512 -29.243 3.136 1.00 1.00 H new ATOM 0 HH12 ARG A 32 17.452 -30.224 2.007 1.00 1.00 H new ATOM 0 HH21 ARG A 32 20.515 -29.735 3.750 1.00 1.00 H new ATOM 0 HH22 ARG A 32 19.734 -30.501 2.363 1.00 1.00 H new ATOM 512 N LYS A 33 15.003 -24.185 4.848 1.00 1.00 N ATOM 513 CA LYS A 33 14.134 -23.406 3.982 1.00 1.00 C ATOM 514 C LYS A 33 12.837 -24.179 3.741 1.00 1.00 C ATOM 515 O LYS A 33 11.782 -23.803 4.249 1.00 1.00 O ATOM 516 CB LYS A 33 14.867 -23.017 2.697 1.00 1.00 C ATOM 517 CG LYS A 33 15.071 -21.503 2.618 1.00 1.00 C ATOM 518 CD LYS A 33 14.036 -20.858 1.694 1.00 1.00 C ATOM 519 CE LYS A 33 12.672 -20.764 2.381 1.00 1.00 C ATOM 520 NZ LYS A 33 11.606 -20.523 1.383 1.00 1.00 N ATOM 0 H LYS A 33 14.618 -25.082 5.143 1.00 1.00 H new ATOM 0 HA LYS A 33 13.861 -22.466 4.462 1.00 1.00 H new ATOM 0 HB2 LYS A 33 15.833 -23.520 2.659 1.00 1.00 H new ATOM 0 HB3 LYS A 33 14.297 -23.356 1.832 1.00 1.00 H new ATOM 0 HG2 LYS A 33 14.994 -21.070 3.615 1.00 1.00 H new ATOM 0 HG3 LYS A 33 16.075 -21.286 2.253 1.00 1.00 H new ATOM 0 HD2 LYS A 33 14.371 -19.862 1.405 1.00 1.00 H new ATOM 0 HD3 LYS A 33 13.947 -21.442 0.778 1.00 1.00 H new ATOM 0 HE2 LYS A 33 12.468 -21.686 2.925 1.00 1.00 H new ATOM 0 HE3 LYS A 33 12.682 -19.957 3.114 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 10.687 -20.462 1.865 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 11.794 -19.631 0.882 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 11.587 -21.307 0.699 1.00 1.00 H new ATOM 533 N LYS A 34 12.957 -25.246 2.965 1.00 1.00 N ATOM 534 CA LYS A 34 11.806 -26.076 2.649 1.00 1.00 C ATOM 535 C LYS A 34 12.237 -27.201 1.707 1.00 1.00 C ATOM 536 O LYS A 34 13.123 -27.014 0.874 1.00 1.00 O ATOM 537 CB LYS A 34 10.662 -25.220 2.102 1.00 1.00 C ATOM 538 CG LYS A 34 11.152 -24.303 0.979 1.00 1.00 C ATOM 539 CD LYS A 34 10.941 -24.953 -0.390 1.00 1.00 C ATOM 540 CE LYS A 34 11.625 -24.142 -1.492 1.00 1.00 C ATOM 541 NZ LYS A 34 10.617 -23.515 -2.375 1.00 1.00 N ATOM 0 H LYS A 34 13.834 -25.555 2.545 1.00 1.00 H new ATOM 0 HA LYS A 34 11.417 -26.547 3.552 1.00 1.00 H new ATOM 0 HB2 LYS A 34 9.867 -25.865 1.729 1.00 1.00 H new ATOM 0 HB3 LYS A 34 10.235 -24.620 2.906 1.00 1.00 H new ATOM 0 HG2 LYS A 34 10.618 -23.353 1.021 1.00 1.00 H new ATOM 0 HG3 LYS A 34 12.210 -24.081 1.121 1.00 1.00 H new ATOM 0 HD2 LYS A 34 11.339 -25.968 -0.380 1.00 1.00 H new ATOM 0 HD3 LYS A 34 9.874 -25.031 -0.599 1.00 1.00 H new ATOM 0 HE2 LYS A 34 12.256 -23.373 -1.047 1.00 1.00 H new ATOM 0 HE3 LYS A 34 12.277 -24.790 -2.077 1.00 1.00 H new ATOM 0 HZ1 LYS A 34 11.098 -22.968 -3.118 1.00 1.00 H new ATOM 0 HZ2 LYS A 34 10.032 -24.254 -2.814 1.00 1.00 H new ATOM 0 HZ3 LYS A 34 10.012 -22.881 -1.815 1.00 1.00 H new ATOM 554 N GLY A 35 11.591 -28.346 1.870 1.00 1.00 N ATOM 555 CA GLY A 35 11.896 -29.502 1.043 1.00 1.00 C ATOM 556 C GLY A 35 11.798 -30.796 1.854 1.00 1.00 C ATOM 557 O GLY A 35 11.951 -30.782 3.074 1.00 1.00 O ATOM 0 H GLY A 35 10.858 -28.498 2.562 1.00 1.00 H new ATOM 0 HA2 GLY A 35 11.206 -29.543 0.200 1.00 1.00 H new ATOM 0 HA3 GLY A 35 12.899 -29.403 0.629 1.00 1.00 H new ATOM 561 N CYS A 36 11.543 -31.884 1.142 1.00 1.00 N ATOM 562 CA CYS A 36 11.422 -33.185 1.779 1.00 1.00 C ATOM 563 C CYS A 36 12.759 -33.520 2.443 1.00 1.00 C ATOM 564 O CYS A 36 13.761 -33.725 1.761 1.00 1.00 O ATOM 565 CB CYS A 36 10.992 -34.265 0.784 1.00 1.00 C ATOM 566 SG CYS A 36 10.579 -35.808 1.676 1.00 1.00 S ATOM 0 H CYS A 36 11.417 -31.892 0.130 1.00 1.00 H new ATOM 0 HA CYS A 36 10.639 -33.151 2.537 1.00 1.00 H new ATOM 0 HB2 CYS A 36 10.129 -33.923 0.214 1.00 1.00 H new ATOM 0 HB3 CYS A 36 11.793 -34.452 0.069 1.00 1.00 H new ATOM 571 N TRP A 37 12.731 -33.564 3.767 1.00 1.00 N ATOM 572 CA TRP A 37 13.928 -33.871 4.531 1.00 1.00 C ATOM 573 C TRP A 37 13.975 -35.384 4.749 1.00 1.00 C ATOM 574 O TRP A 37 14.739 -35.872 5.581 1.00 1.00 O ATOM 575 CB TRP A 37 13.962 -33.077 5.839 1.00 1.00 C ATOM 576 CG TRP A 37 15.329 -33.069 6.527 1.00 1.00 C ATOM 577 CD1 TRP A 37 16.539 -32.984 5.957 1.00 1.00 C ATOM 578 CD2 TRP A 37 15.577 -33.155 7.946 1.00 1.00 C ATOM 579 NE1 TRP A 37 17.545 -33.007 6.901 1.00 1.00 N ATOM 580 CE2 TRP A 37 16.942 -33.115 8.149 1.00 1.00 C ATOM 581 CE3 TRP A 37 14.679 -33.262 9.022 1.00 1.00 C ATOM 582 CZ2 TRP A 37 17.530 -33.177 9.418 1.00 1.00 C ATOM 583 CZ3 TRP A 37 15.283 -33.323 10.284 1.00 1.00 C ATOM 584 CH2 TRP A 37 16.655 -33.284 10.505 1.00 1.00 C ATOM 0 H TRP A 37 11.898 -33.392 4.330 1.00 1.00 H new ATOM 0 HA TRP A 37 14.822 -33.570 3.985 1.00 1.00 H new ATOM 0 HB2 TRP A 37 13.663 -32.049 5.636 1.00 1.00 H new ATOM 0 HB3 TRP A 37 13.224 -33.494 6.524 1.00 1.00 H new ATOM 0 HD1 TRP A 37 16.706 -32.907 4.893 1.00 1.00 H new ATOM 0 HE1 TRP A 37 18.547 -32.954 6.717 1.00 1.00 H new ATOM 0 HE3 TRP A 37 13.608 -33.295 8.886 1.00 1.00 H new ATOM 0 HZ2 TRP A 37 18.601 -33.144 9.551 1.00 1.00 H new ATOM 0 HZ3 TRP A 37 14.638 -33.406 11.146 1.00 1.00 H new ATOM 0 HH2 TRP A 37 17.044 -33.336 11.511 1.00 1.00 H new ATOM 595 N LYS A 38 13.147 -36.086 3.989 1.00 1.00 N ATOM 596 CA LYS A 38 13.085 -37.534 4.088 1.00 1.00 C ATOM 597 C LYS A 38 13.800 -38.155 2.886 1.00 1.00 C ATOM 598 O LYS A 38 14.565 -39.106 3.038 1.00 1.00 O ATOM 599 CB LYS A 38 11.636 -37.998 4.249 1.00 1.00 C ATOM 600 CG LYS A 38 11.573 -39.400 4.858 1.00 1.00 C ATOM 601 CD LYS A 38 11.691 -40.474 3.775 1.00 1.00 C ATOM 602 CE LYS A 38 12.140 -41.809 4.374 1.00 1.00 C ATOM 603 NZ LYS A 38 11.017 -42.773 4.389 1.00 1.00 N ATOM 0 H LYS A 38 12.513 -35.678 3.302 1.00 1.00 H new ATOM 0 HA LYS A 38 13.607 -37.877 4.981 1.00 1.00 H new ATOM 0 HB2 LYS A 38 11.095 -37.297 4.884 1.00 1.00 H new ATOM 0 HB3 LYS A 38 11.140 -37.997 3.278 1.00 1.00 H new ATOM 0 HG2 LYS A 38 12.377 -39.521 5.584 1.00 1.00 H new ATOM 0 HG3 LYS A 38 10.634 -39.524 5.398 1.00 1.00 H new ATOM 0 HD2 LYS A 38 10.730 -40.600 3.276 1.00 1.00 H new ATOM 0 HD3 LYS A 38 12.405 -40.153 3.016 1.00 1.00 H new ATOM 0 HE2 LYS A 38 12.968 -42.215 3.793 1.00 1.00 H new ATOM 0 HE3 LYS A 38 12.508 -41.654 5.388 1.00 1.00 H new ATOM 0 HZ1 LYS A 38 11.391 -43.741 4.452 1.00 1.00 H new ATOM 0 HZ2 LYS A 38 10.408 -42.584 5.210 1.00 1.00 H new ATOM 0 HZ3 LYS A 38 10.461 -42.672 3.516 1.00 1.00 H new ATOM 616 N CYS A 39 13.525 -37.592 1.719 1.00 1.00 N ATOM 617 CA CYS A 39 14.132 -38.078 0.492 1.00 1.00 C ATOM 618 C CYS A 39 15.164 -37.049 0.026 1.00 1.00 C ATOM 619 O CYS A 39 16.104 -37.389 -0.692 1.00 1.00 O ATOM 620 CB CYS A 39 13.083 -38.362 -0.585 1.00 1.00 C ATOM 621 SG CYS A 39 12.116 -36.847 -0.931 1.00 1.00 S ATOM 0 H CYS A 39 12.890 -36.803 1.597 1.00 1.00 H new ATOM 0 HA CYS A 39 14.629 -39.029 0.682 1.00 1.00 H new ATOM 0 HB2 CYS A 39 13.570 -38.709 -1.496 1.00 1.00 H new ATOM 0 HB3 CYS A 39 12.418 -39.160 -0.255 1.00 1.00 H new ATOM 626 N GLY A 40 14.954 -35.813 0.453 1.00 1.00 N ATOM 627 CA GLY A 40 15.855 -34.732 0.088 1.00 1.00 C ATOM 628 C GLY A 40 15.299 -33.929 -1.089 1.00 1.00 C ATOM 629 O GLY A 40 15.846 -32.888 -1.449 1.00 1.00 O ATOM 0 H GLY A 40 14.174 -35.535 1.048 1.00 1.00 H new ATOM 0 HA2 GLY A 40 16.004 -34.074 0.944 1.00 1.00 H new ATOM 0 HA3 GLY A 40 16.831 -35.140 -0.174 1.00 1.00 H new ATOM 633 N LYS A 41 14.218 -34.444 -1.658 1.00 1.00 N ATOM 634 CA LYS A 41 13.582 -33.788 -2.788 1.00 1.00 C ATOM 635 C LYS A 41 12.826 -32.552 -2.295 1.00 1.00 C ATOM 636 O LYS A 41 11.787 -32.673 -1.648 1.00 1.00 O ATOM 637 CB LYS A 41 12.707 -34.777 -3.559 1.00 1.00 C ATOM 638 CG LYS A 41 12.546 -34.346 -5.018 1.00 1.00 C ATOM 639 CD LYS A 41 12.509 -35.560 -5.948 1.00 1.00 C ATOM 640 CE LYS A 41 13.856 -35.756 -6.647 1.00 1.00 C ATOM 641 NZ LYS A 41 13.846 -36.997 -7.453 1.00 1.00 N ATOM 0 H LYS A 41 13.767 -35.308 -1.357 1.00 1.00 H new ATOM 0 HA LYS A 41 14.332 -33.441 -3.499 1.00 1.00 H new ATOM 0 HB2 LYS A 41 13.152 -35.771 -3.517 1.00 1.00 H new ATOM 0 HB3 LYS A 41 11.727 -34.846 -3.086 1.00 1.00 H new ATOM 0 HG2 LYS A 41 11.628 -33.769 -5.131 1.00 1.00 H new ATOM 0 HG3 LYS A 41 13.371 -33.692 -5.301 1.00 1.00 H new ATOM 0 HD2 LYS A 41 12.259 -36.453 -5.376 1.00 1.00 H new ATOM 0 HD3 LYS A 41 11.724 -35.428 -6.693 1.00 1.00 H new ATOM 0 HE2 LYS A 41 14.067 -34.900 -7.288 1.00 1.00 H new ATOM 0 HE3 LYS A 41 14.654 -35.803 -5.906 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 14.767 -37.115 -7.921 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 13.666 -37.812 -6.833 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 13.098 -36.937 -8.173 1.00 1.00 H new ATOM 654 N GLU A 42 13.378 -31.392 -2.619 1.00 1.00 N ATOM 655 CA GLU A 42 12.769 -30.135 -2.218 1.00 1.00 C ATOM 656 C GLU A 42 11.574 -29.813 -3.118 1.00 1.00 C ATOM 657 O GLU A 42 11.741 -29.564 -4.311 1.00 1.00 O ATOM 658 CB GLU A 42 13.793 -28.999 -2.237 1.00 1.00 C ATOM 659 CG GLU A 42 14.420 -28.849 -3.625 1.00 1.00 C ATOM 660 CD GLU A 42 14.276 -27.416 -4.140 1.00 1.00 C ATOM 661 OE1 GLU A 42 13.224 -27.056 -4.687 1.00 1.00 O ATOM 662 OE2 GLU A 42 15.308 -26.664 -3.954 1.00 1.00 O ATOM 0 H GLU A 42 14.241 -31.296 -3.155 1.00 1.00 H new ATOM 0 HA GLU A 42 12.410 -30.238 -1.194 1.00 1.00 H new ATOM 0 HB2 GLU A 42 13.311 -28.065 -1.949 1.00 1.00 H new ATOM 0 HB3 GLU A 42 14.573 -29.195 -1.501 1.00 1.00 H new ATOM 0 HG2 GLU A 42 15.475 -29.120 -3.582 1.00 1.00 H new ATOM 0 HG3 GLU A 42 13.942 -29.539 -4.320 1.00 1.00 H new ATOM 670 N GLY A 43 10.396 -29.828 -2.512 1.00 1.00 N ATOM 671 CA GLY A 43 9.175 -29.540 -3.244 1.00 1.00 C ATOM 672 C GLY A 43 7.982 -30.276 -2.630 1.00 1.00 C ATOM 673 O GLY A 43 6.844 -29.821 -2.739 1.00 1.00 O ATOM 0 H GLY A 43 10.261 -30.035 -1.522 1.00 1.00 H new ATOM 0 HA2 GLY A 43 8.987 -28.466 -3.237 1.00 1.00 H new ATOM 0 HA3 GLY A 43 9.293 -29.837 -4.286 1.00 1.00 H new ATOM 677 N HIS A 44 8.282 -31.401 -1.998 1.00 1.00 N ATOM 678 CA HIS A 44 7.249 -32.204 -1.367 1.00 1.00 C ATOM 679 C HIS A 44 7.705 -32.618 0.033 1.00 1.00 C ATOM 680 O HIS A 44 8.748 -32.172 0.508 1.00 1.00 O ATOM 681 CB HIS A 44 6.876 -33.399 -2.247 1.00 1.00 C ATOM 682 CG HIS A 44 7.827 -34.566 -2.133 1.00 1.00 C ATOM 683 ND1 HIS A 44 8.747 -34.882 -3.117 1.00 1.00 N ATOM 684 CD2 HIS A 44 7.991 -35.488 -1.142 1.00 1.00 C ATOM 685 CE1 HIS A 44 9.428 -35.949 -2.726 1.00 1.00 C ATOM 686 NE2 HIS A 44 8.958 -36.323 -1.501 1.00 1.00 N ATOM 0 H HIS A 44 9.227 -31.776 -1.909 1.00 1.00 H new ATOM 0 HA HIS A 44 6.341 -31.612 -1.255 1.00 1.00 H new ATOM 0 HB2 HIS A 44 5.873 -33.734 -1.982 1.00 1.00 H new ATOM 0 HB3 HIS A 44 6.839 -33.074 -3.287 1.00 1.00 H new ATOM 0 HD1 HIS A 44 8.879 -34.379 -3.994 1.00 1.00 H new ATOM 0 HD2 HIS A 44 7.429 -35.531 -0.221 1.00 1.00 H new ATOM 0 HE1 HIS A 44 10.217 -36.437 -3.280 1.00 1.00 H new ATOM 694 N GLN A 45 6.900 -33.467 0.656 1.00 1.00 N ATOM 695 CA GLN A 45 7.208 -33.947 1.992 1.00 1.00 C ATOM 696 C GLN A 45 6.499 -35.277 2.255 1.00 1.00 C ATOM 697 O GLN A 45 5.904 -35.857 1.348 1.00 1.00 O ATOM 698 CB GLN A 45 6.831 -32.906 3.049 1.00 1.00 C ATOM 699 CG GLN A 45 8.032 -32.029 3.407 1.00 1.00 C ATOM 700 CD GLN A 45 7.656 -30.546 3.380 1.00 1.00 C ATOM 701 OE1 GLN A 45 8.085 -29.786 2.528 1.00 1.00 O ATOM 702 NE2 GLN A 45 6.833 -30.179 4.358 1.00 1.00 N ATOM 0 H GLN A 45 6.035 -33.834 0.260 1.00 1.00 H new ATOM 0 HA GLN A 45 8.283 -34.112 2.059 1.00 1.00 H new ATOM 0 HB2 GLN A 45 6.019 -32.282 2.677 1.00 1.00 H new ATOM 0 HB3 GLN A 45 6.463 -33.408 3.944 1.00 1.00 H new ATOM 0 HG2 GLN A 45 8.400 -32.297 4.398 1.00 1.00 H new ATOM 0 HG3 GLN A 45 8.845 -32.215 2.705 1.00 1.00 H new ATOM 0 HE21 GLN A 45 6.511 -30.867 5.039 1.00 1.00 H new ATOM 0 HE22 GLN A 45 6.523 -29.210 4.427 1.00 1.00 H new ATOM 711 N MET A 46 6.585 -35.721 3.501 1.00 1.00 N ATOM 712 CA MET A 46 5.959 -36.972 3.894 1.00 1.00 C ATOM 713 C MET A 46 4.559 -37.098 3.289 1.00 1.00 C ATOM 714 O MET A 46 4.159 -38.181 2.864 1.00 1.00 O ATOM 715 CB MET A 46 5.864 -37.037 5.420 1.00 1.00 C ATOM 716 CG MET A 46 5.597 -35.652 6.013 1.00 1.00 C ATOM 717 SD MET A 46 4.348 -35.762 7.283 1.00 1.00 S ATOM 718 CE MET A 46 5.385 -35.994 8.718 1.00 1.00 C ATOM 0 H MET A 46 7.079 -35.237 4.251 1.00 1.00 H new ATOM 0 HA MET A 46 6.570 -37.795 3.523 1.00 1.00 H new ATOM 0 HB2 MET A 46 5.066 -37.720 5.709 1.00 1.00 H new ATOM 0 HB3 MET A 46 6.791 -37.439 5.829 1.00 1.00 H new ATOM 0 HG2 MET A 46 6.517 -35.243 6.431 1.00 1.00 H new ATOM 0 HG3 MET A 46 5.271 -34.968 5.229 1.00 1.00 H new ATOM 0 HE1 MET A 46 4.761 -36.082 9.607 1.00 1.00 H new ATOM 0 HE2 MET A 46 5.975 -36.902 8.597 1.00 1.00 H new ATOM 0 HE3 MET A 46 6.053 -35.139 8.826 1.00 1.00 H new ATOM 728 N LYS A 47 3.854 -35.977 3.270 1.00 1.00 N ATOM 729 CA LYS A 47 2.508 -35.949 2.724 1.00 1.00 C ATOM 730 C LYS A 47 2.452 -36.823 1.469 1.00 1.00 C ATOM 731 O LYS A 47 1.555 -37.651 1.324 1.00 1.00 O ATOM 732 CB LYS A 47 2.055 -34.507 2.490 1.00 1.00 C ATOM 733 CG LYS A 47 0.540 -34.373 2.659 1.00 1.00 C ATOM 734 CD LYS A 47 -0.172 -34.446 1.307 1.00 1.00 C ATOM 735 CE LYS A 47 -0.561 -33.050 0.816 1.00 1.00 C ATOM 736 NZ LYS A 47 -0.206 -32.884 -0.611 1.00 1.00 N ATOM 0 H LYS A 47 4.189 -35.081 3.624 1.00 1.00 H new ATOM 0 HA LYS A 47 1.799 -36.370 3.437 1.00 1.00 H new ATOM 0 HB2 LYS A 47 2.563 -33.844 3.191 1.00 1.00 H new ATOM 0 HB3 LYS A 47 2.342 -34.190 1.487 1.00 1.00 H new ATOM 0 HG2 LYS A 47 0.172 -35.165 3.311 1.00 1.00 H new ATOM 0 HG3 LYS A 47 0.307 -33.426 3.146 1.00 1.00 H new ATOM 0 HD2 LYS A 47 0.478 -34.925 0.575 1.00 1.00 H new ATOM 0 HD3 LYS A 47 -1.064 -35.066 1.395 1.00 1.00 H new ATOM 0 HE2 LYS A 47 -1.632 -32.896 0.951 1.00 1.00 H new ATOM 0 HE3 LYS A 47 -0.053 -32.293 1.414 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 -0.477 -31.931 -0.928 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 0.819 -33.010 -0.731 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 -0.711 -33.594 -1.179 1.00 1.00 H new ATOM 749 N ASP A 48 3.424 -36.608 0.594 1.00 1.00 N ATOM 750 CA ASP A 48 3.497 -37.366 -0.643 1.00 1.00 C ATOM 751 C ASP A 48 4.936 -37.837 -0.863 1.00 1.00 C ATOM 752 O ASP A 48 5.466 -37.729 -1.967 1.00 1.00 O ATOM 753 CB ASP A 48 3.094 -36.504 -1.841 1.00 1.00 C ATOM 754 CG ASP A 48 1.588 -36.410 -2.093 1.00 1.00 C ATOM 755 OD1 ASP A 48 0.779 -36.986 -1.350 1.00 1.00 O ATOM 756 OD2 ASP A 48 1.249 -35.699 -3.115 1.00 1.00 O ATOM 0 H ASP A 48 4.167 -35.920 0.718 1.00 1.00 H new ATOM 0 HA ASP A 48 2.815 -38.212 -0.561 1.00 1.00 H new ATOM 0 HB2 ASP A 48 3.486 -35.498 -1.693 1.00 1.00 H new ATOM 0 HB3 ASP A 48 3.572 -36.904 -2.735 1.00 1.00 H new ATOM 762 N CYS A 49 5.526 -38.352 0.206 1.00 1.00 N ATOM 763 CA CYS A 49 6.893 -38.840 0.144 1.00 1.00 C ATOM 764 C CYS A 49 6.857 -40.318 -0.252 1.00 1.00 C ATOM 765 O CYS A 49 6.448 -41.166 0.538 1.00 1.00 O ATOM 766 CB CYS A 49 7.633 -38.621 1.465 1.00 1.00 C ATOM 767 SG CYS A 49 9.389 -39.101 1.285 1.00 1.00 S ATOM 0 H CYS A 49 5.082 -38.442 1.120 1.00 1.00 H new ATOM 0 HA CYS A 49 7.449 -38.277 -0.605 1.00 1.00 H new ATOM 0 HB2 CYS A 49 7.562 -37.575 1.762 1.00 1.00 H new ATOM 0 HB3 CYS A 49 7.166 -39.209 2.255 1.00 1.00 H new ATOM 772 N THR A 50 7.291 -40.580 -1.477 1.00 1.00 N ATOM 773 CA THR A 50 7.314 -41.940 -1.987 1.00 1.00 C ATOM 774 C THR A 50 8.515 -42.702 -1.423 1.00 1.00 C ATOM 775 O THR A 50 8.728 -43.867 -1.755 1.00 1.00 O ATOM 776 CB THR A 50 7.302 -41.872 -3.516 1.00 1.00 C ATOM 777 OG1 THR A 50 7.244 -43.236 -3.924 1.00 1.00 O ATOM 778 CG2 THR A 50 8.627 -41.367 -4.090 1.00 1.00 C ATOM 0 H THR A 50 7.629 -39.873 -2.130 1.00 1.00 H new ATOM 0 HA THR A 50 6.435 -42.497 -1.664 1.00 1.00 H new ATOM 0 HB THR A 50 6.493 -41.220 -3.844 1.00 1.00 H new ATOM 0 HG1 THR A 50 7.816 -43.777 -3.340 1.00 1.00 H new ATOM 0 HG21 THR A 50 8.565 -41.338 -5.178 1.00 1.00 H new ATOM 0 HG22 THR A 50 8.829 -40.365 -3.711 1.00 1.00 H new ATOM 0 HG23 THR A 50 9.432 -42.038 -3.790 1.00 1.00 H new ATOM 786 N GLU A 51 9.269 -42.012 -0.579 1.00 1.00 N ATOM 787 CA GLU A 51 10.443 -42.609 0.035 1.00 1.00 C ATOM 788 C GLU A 51 11.652 -42.477 -0.893 1.00 1.00 C ATOM 789 O GLU A 51 12.605 -41.765 -0.579 1.00 1.00 O ATOM 790 CB GLU A 51 10.187 -44.073 0.398 1.00 1.00 C ATOM 791 CG GLU A 51 11.136 -44.537 1.505 1.00 1.00 C ATOM 792 CD GLU A 51 10.391 -45.365 2.555 1.00 1.00 C ATOM 793 OE1 GLU A 51 10.845 -46.460 2.918 1.00 1.00 O ATOM 794 OE2 GLU A 51 9.302 -44.832 2.997 1.00 1.00 O ATOM 0 H GLU A 51 9.090 -41.046 -0.306 1.00 1.00 H new ATOM 0 HA GLU A 51 10.659 -42.072 0.959 1.00 1.00 H new ATOM 0 HB2 GLU A 51 9.154 -44.195 0.724 1.00 1.00 H new ATOM 0 HB3 GLU A 51 10.319 -44.699 -0.485 1.00 1.00 H new ATOM 0 HG2 GLU A 51 11.942 -45.131 1.073 1.00 1.00 H new ATOM 0 HG3 GLU A 51 11.597 -43.671 1.980 1.00 1.00 H new ATOM 802 N ARG A 52 11.574 -43.174 -2.017 1.00 1.00 N ATOM 803 CA ARG A 52 12.650 -43.144 -2.992 1.00 1.00 C ATOM 804 C ARG A 52 13.950 -43.653 -2.365 1.00 1.00 C ATOM 805 O ARG A 52 14.708 -42.879 -1.784 1.00 1.00 O ATOM 806 CB ARG A 52 12.871 -41.726 -3.525 1.00 1.00 C ATOM 807 CG ARG A 52 13.261 -41.751 -5.004 1.00 1.00 C ATOM 808 CD ARG A 52 12.068 -41.392 -5.892 1.00 1.00 C ATOM 809 NE ARG A 52 11.777 -39.944 -5.787 1.00 1.00 N ATOM 810 CZ ARG A 52 11.151 -39.227 -6.745 1.00 1.00 C ATOM 811 NH1 ARG A 52 10.744 -39.818 -7.888 1.00 1.00 N ATOM 812 NH2 ARG A 52 10.942 -37.939 -6.545 1.00 1.00 N ATOM 0 H ARG A 52 10.782 -43.763 -2.274 1.00 1.00 H new ATOM 0 HA ARG A 52 12.364 -43.792 -3.821 1.00 1.00 H new ATOM 0 HB2 ARG A 52 11.962 -41.139 -3.395 1.00 1.00 H new ATOM 0 HB3 ARG A 52 13.654 -41.234 -2.947 1.00 1.00 H new ATOM 0 HG2 ARG A 52 14.075 -41.048 -5.181 1.00 1.00 H new ATOM 0 HG3 ARG A 52 13.631 -42.741 -5.269 1.00 1.00 H new ATOM 0 HD2 ARG A 52 12.283 -41.654 -6.928 1.00 1.00 H new ATOM 0 HD3 ARG A 52 11.194 -41.970 -5.592 1.00 1.00 H new ATOM 0 HE ARG A 52 12.067 -39.458 -4.939 1.00 1.00 H new ATOM 0 HH11 ARG A 52 10.908 -40.814 -8.034 1.00 1.00 H new ATOM 0 HH12 ARG A 52 10.272 -39.269 -8.606 1.00 1.00 H new ATOM 0 HH21 ARG A 52 11.252 -37.501 -5.678 1.00 1.00 H new ATOM 0 HH22 ARG A 52 10.471 -37.382 -7.258 1.00 1.00 H new ATOM 825 N GLN A 53 14.167 -44.953 -2.505 1.00 1.00 N ATOM 826 CA GLN A 53 15.361 -45.575 -1.960 1.00 1.00 C ATOM 827 C GLN A 53 15.606 -46.929 -2.628 1.00 1.00 C ATOM 828 O GLN A 53 15.448 -47.974 -1.997 1.00 1.00 O ATOM 829 CB GLN A 53 15.258 -45.723 -0.441 1.00 1.00 C ATOM 830 CG GLN A 53 16.638 -45.934 0.185 1.00 1.00 C ATOM 831 CD GLN A 53 17.427 -44.625 0.227 1.00 1.00 C ATOM 832 OE1 GLN A 53 16.929 -43.558 -0.093 1.00 1.00 O ATOM 833 NE2 GLN A 53 18.684 -44.764 0.640 1.00 1.00 N ATOM 0 H GLN A 53 13.536 -45.592 -2.988 1.00 1.00 H new ATOM 0 HA GLN A 53 16.213 -44.928 -2.171 1.00 1.00 H new ATOM 0 HB2 GLN A 53 14.794 -44.833 -0.016 1.00 1.00 H new ATOM 0 HB3 GLN A 53 14.612 -46.566 -0.197 1.00 1.00 H new ATOM 0 HG2 GLN A 53 16.527 -46.328 1.195 1.00 1.00 H new ATOM 0 HG3 GLN A 53 17.191 -46.678 -0.388 1.00 1.00 H new ATOM 0 HE21 GLN A 53 19.039 -45.686 0.893 1.00 1.00 H new ATOM 0 HE22 GLN A 53 19.293 -43.948 0.704 1.00 1.00 H new ATOM 842 N ALA A 54 15.989 -46.868 -3.895 1.00 1.00 N ATOM 843 CA ALA A 54 16.258 -48.077 -4.654 1.00 1.00 C ATOM 844 C ALA A 54 17.372 -48.869 -3.968 1.00 1.00 C ATOM 845 O ALA A 54 17.164 -50.007 -3.550 1.00 1.00 O ATOM 846 CB ALA A 54 16.609 -47.707 -6.097 1.00 1.00 C ATOM 0 H ALA A 54 16.119 -46.000 -4.415 1.00 1.00 H new ATOM 0 HA ALA A 54 15.374 -48.714 -4.686 1.00 1.00 H new ATOM 0 HB1 ALA A 54 16.811 -48.614 -6.666 1.00 1.00 H new ATOM 0 HB2 ALA A 54 15.773 -47.173 -6.549 1.00 1.00 H new ATOM 0 HB3 ALA A 54 17.493 -47.070 -6.104 1.00 1.00 H new ATOM 852 N ASN A 55 18.532 -48.236 -3.873 1.00 1.00 N ATOM 853 CA ASN A 55 19.680 -48.867 -3.244 1.00 1.00 C ATOM 854 C ASN A 55 19.952 -48.194 -1.897 1.00 1.00 C ATOM 855 O ASN A 55 20.428 -47.060 -1.850 1.00 1.00 O ATOM 856 CB ASN A 55 20.933 -48.717 -4.109 1.00 1.00 C ATOM 857 CG ASN A 55 21.442 -50.081 -4.578 1.00 1.00 C ATOM 858 OD1 ASN A 55 20.757 -51.088 -4.501 1.00 1.00 O ATOM 859 ND2 ASN A 55 22.678 -50.058 -5.068 1.00 1.00 N ATOM 0 H ASN A 55 18.702 -47.292 -4.221 1.00 1.00 H new ATOM 0 HA ASN A 55 19.455 -49.926 -3.116 1.00 1.00 H new ATOM 0 HB2 ASN A 55 20.710 -48.091 -4.973 1.00 1.00 H new ATOM 0 HB3 ASN A 55 21.713 -48.210 -3.541 1.00 1.00 H new ATOM 0 HD21 ASN A 55 23.108 -50.918 -5.408 1.00 1.00 H new ATOM 0 HD22 ASN A 55 23.196 -49.180 -5.104 1.00 1.00 H new TER 866 ASN A 55 HETATM 867 ZN ZN A 56 12.170 -18.812 8.929 1.00 1.00 ZN HETATM 868 ZN ZN A 57 9.993 -37.312 -0.033 1.00 1.00 ZN