USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 260 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 Single : A 1 TYR N :NH3+ -141:sc= 1.44 (180deg=0.0985) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -2.8 K(o=-2.8,f=-7.4!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl 167:sc= 0 (180deg=-0.313) USER MOD Single : A 8 THR OG1 : rot 84:sc= 1.99 USER MOD Single : A 14 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 30 ASN : amide:sc= -0.811 X(o=-0.81,f=-0.71) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 7.197 9.312 3.460 1.00 0.00 N ATOM 2 CA TYR A 1 7.525 9.658 2.050 1.00 0.00 C ATOM 3 C TYR A 1 6.368 9.308 1.119 1.00 0.00 C ATOM 4 O TYR A 1 5.949 10.125 0.299 1.00 0.00 O ATOM 5 CB TYR A 1 8.791 8.901 1.621 1.00 0.00 C ATOM 6 CG TYR A 1 9.628 8.380 2.770 1.00 0.00 C ATOM 7 CD1 TYR A 1 9.332 7.164 3.373 1.00 0.00 C ATOM 8 CD2 TYR A 1 10.713 9.102 3.249 1.00 0.00 C ATOM 9 CE1 TYR A 1 10.093 6.682 4.421 1.00 0.00 C ATOM 10 CE2 TYR A 1 11.480 8.627 4.296 1.00 0.00 C ATOM 11 CZ TYR A 1 11.165 7.418 4.879 1.00 0.00 C ATOM 12 OH TYR A 1 11.926 6.942 5.922 1.00 0.00 O ATOM 0 H1 TYR A 1 7.566 10.050 4.093 1.00 0.00 H new ATOM 0 H2 TYR A 1 6.165 9.246 3.570 1.00 0.00 H new ATOM 0 H3 TYR A 1 7.630 8.398 3.703 1.00 0.00 H new ATOM 0 HA TYR A 1 7.699 10.732 1.985 1.00 0.00 H new ATOM 0 HB2 TYR A 1 8.501 8.062 0.989 1.00 0.00 H new ATOM 0 HB3 TYR A 1 9.406 9.562 1.010 1.00 0.00 H new ATOM 0 HD1 TYR A 1 8.493 6.585 3.017 1.00 0.00 H new ATOM 0 HD2 TYR A 1 10.962 10.050 2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 1 9.849 5.734 4.878 1.00 0.00 H new ATOM 0 HE2 TYR A 1 12.322 9.200 4.656 1.00 0.00 H new ATOM 0 HH TYR A 1 12.643 7.580 6.122 1.00 0.00 H new ATOM 24 N CYS A 2 5.857 8.087 1.255 1.00 0.00 N ATOM 25 CA CYS A 2 4.747 7.623 0.428 1.00 0.00 C ATOM 26 C CYS A 2 5.146 7.575 -1.041 1.00 0.00 C ATOM 27 O CYS A 2 5.610 8.564 -1.607 1.00 0.00 O ATOM 28 CB CYS A 2 3.526 8.525 0.621 1.00 0.00 C ATOM 29 SG CYS A 2 2.108 8.139 -0.468 1.00 0.00 S ATOM 0 H CYS A 2 6.194 7.401 1.930 1.00 0.00 H new ATOM 0 HA CYS A 2 4.488 6.612 0.742 1.00 0.00 H new ATOM 0 HB2 CYS A 2 3.199 8.454 1.658 1.00 0.00 H new ATOM 0 HB3 CYS A 2 3.825 9.559 0.451 1.00 0.00 H new ATOM 34 N GLN A 3 4.954 6.412 -1.647 1.00 0.00 N ATOM 35 CA GLN A 3 5.284 6.215 -3.054 1.00 0.00 C ATOM 36 C GLN A 3 4.025 6.270 -3.909 1.00 0.00 C ATOM 37 O GLN A 3 3.793 7.242 -4.626 1.00 0.00 O ATOM 38 CB GLN A 3 5.997 4.874 -3.258 1.00 0.00 C ATOM 39 CG GLN A 3 7.512 4.979 -3.190 1.00 0.00 C ATOM 40 CD GLN A 3 8.182 3.641 -2.937 1.00 0.00 C ATOM 41 OE1 GLN A 3 7.996 3.030 -1.884 1.00 0.00 O ATOM 42 NE2 GLN A 3 8.965 3.180 -3.904 1.00 0.00 N ATOM 0 H GLN A 3 4.570 5.587 -1.186 1.00 0.00 H new ATOM 0 HA GLN A 3 5.954 7.018 -3.362 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.655 4.170 -2.500 1.00 0.00 H new ATOM 0 HB3 GLN A 3 5.712 4.463 -4.226 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.885 5.396 -4.125 1.00 0.00 H new ATOM 0 HG3 GLN A 3 7.789 5.675 -2.398 1.00 0.00 H new ATOM 0 HE21 GLN A 3 9.090 3.720 -4.760 1.00 0.00 H new ATOM 0 HE22 GLN A 3 9.442 2.285 -3.791 1.00 0.00 H new ATOM 51 N LYS A 4 3.210 5.225 -3.820 1.00 0.00 N ATOM 52 CA LYS A 4 1.967 5.155 -4.579 1.00 0.00 C ATOM 53 C LYS A 4 1.259 3.827 -4.340 1.00 0.00 C ATOM 54 O LYS A 4 1.879 2.764 -4.364 1.00 0.00 O ATOM 55 CB LYS A 4 2.235 5.347 -6.074 1.00 0.00 C ATOM 56 CG LYS A 4 1.252 6.291 -6.748 1.00 0.00 C ATOM 57 CD LYS A 4 1.595 7.747 -6.471 1.00 0.00 C ATOM 58 CE LYS A 4 1.021 8.215 -5.142 1.00 0.00 C ATOM 59 NZ LYS A 4 0.414 9.571 -5.246 1.00 0.00 N ATOM 0 H LYS A 4 3.388 4.413 -3.229 1.00 0.00 H new ATOM 0 HA LYS A 4 1.318 5.960 -4.234 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.246 5.731 -6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.194 4.377 -6.570 1.00 0.00 H new ATOM 0 HG2 LYS A 4 1.256 6.114 -7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.243 6.080 -6.394 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.678 7.871 -6.464 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.208 8.372 -7.276 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.267 7.505 -4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.810 8.227 -4.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.034 9.853 -4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.139 10.254 -5.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.356 9.554 -5.945 1.00 0.00 H new ATOM 73 N TRP A 5 -0.048 3.899 -4.109 1.00 0.00 N ATOM 74 CA TRP A 5 -0.855 2.710 -3.864 1.00 0.00 C ATOM 75 C TRP A 5 -0.678 1.687 -4.985 1.00 0.00 C ATOM 76 O TRP A 5 -0.461 2.049 -6.141 1.00 0.00 O ATOM 77 CB TRP A 5 -2.333 3.107 -3.723 1.00 0.00 C ATOM 78 CG TRP A 5 -3.298 1.989 -3.991 1.00 0.00 C ATOM 79 CD1 TRP A 5 -3.810 1.110 -3.080 1.00 0.00 C ATOM 80 CD2 TRP A 5 -3.870 1.635 -5.255 1.00 0.00 C ATOM 81 NE1 TRP A 5 -4.663 0.231 -3.702 1.00 0.00 N ATOM 82 CE2 TRP A 5 -4.717 0.533 -5.036 1.00 0.00 C ATOM 83 CE3 TRP A 5 -3.748 2.144 -6.552 1.00 0.00 C ATOM 84 CZ2 TRP A 5 -5.437 -0.069 -6.066 1.00 0.00 C ATOM 85 CZ3 TRP A 5 -4.463 1.546 -7.572 1.00 0.00 C ATOM 86 CH2 TRP A 5 -5.299 0.450 -7.324 1.00 0.00 C ATOM 0 H TRP A 5 -0.573 4.773 -4.086 1.00 0.00 H new ATOM 0 HA TRP A 5 -0.520 2.247 -2.936 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -2.502 3.484 -2.714 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -2.545 3.927 -4.409 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -3.578 1.106 -2.025 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -5.173 -0.524 -3.244 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -3.106 2.989 -6.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -6.081 -0.915 -5.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -4.376 1.930 -8.578 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.846 0.006 -8.143 1.00 0.00 H new ATOM 97 N MET A 6 -0.775 0.408 -4.623 1.00 0.00 N ATOM 98 CA MET A 6 -0.634 -0.694 -5.577 1.00 0.00 C ATOM 99 C MET A 6 0.830 -1.047 -5.820 1.00 0.00 C ATOM 100 O MET A 6 1.191 -2.223 -5.834 1.00 0.00 O ATOM 101 CB MET A 6 -1.320 -0.364 -6.907 1.00 0.00 C ATOM 102 CG MET A 6 -1.659 -1.590 -7.738 1.00 0.00 C ATOM 103 SD MET A 6 -2.659 -1.194 -9.185 1.00 0.00 S ATOM 104 CE MET A 6 -4.039 -2.314 -8.959 1.00 0.00 C ATOM 0 H MET A 6 -0.953 0.106 -3.665 1.00 0.00 H new ATOM 0 HA MET A 6 -1.124 -1.561 -5.134 1.00 0.00 H new ATOM 0 HB2 MET A 6 -2.235 0.192 -6.706 1.00 0.00 H new ATOM 0 HB3 MET A 6 -0.671 0.290 -7.488 1.00 0.00 H new ATOM 0 HG2 MET A 6 -0.736 -2.072 -8.060 1.00 0.00 H new ATOM 0 HG3 MET A 6 -2.194 -2.308 -7.117 1.00 0.00 H new ATOM 0 HE1 MET A 6 -4.848 -2.035 -9.634 1.00 0.00 H new ATOM 0 HE2 MET A 6 -3.720 -3.333 -9.176 1.00 0.00 H new ATOM 0 HE3 MET A 6 -4.390 -2.256 -7.929 1.00 0.00 H new ATOM 114 N TRP A 7 1.670 -0.034 -6.028 1.00 0.00 N ATOM 115 CA TRP A 7 3.084 -0.252 -6.285 1.00 0.00 C ATOM 116 C TRP A 7 3.678 -1.365 -5.418 1.00 0.00 C ATOM 117 O TRP A 7 3.113 -1.749 -4.393 1.00 0.00 O ATOM 118 CB TRP A 7 3.864 1.039 -6.066 1.00 0.00 C ATOM 119 CG TRP A 7 5.097 1.070 -6.888 1.00 0.00 C ATOM 120 CD1 TRP A 7 5.200 1.484 -8.176 1.00 0.00 C ATOM 121 CD2 TRP A 7 6.391 0.629 -6.491 1.00 0.00 C ATOM 122 NE1 TRP A 7 6.495 1.329 -8.615 1.00 0.00 N ATOM 123 CE2 TRP A 7 7.247 0.803 -7.592 1.00 0.00 C ATOM 124 CE3 TRP A 7 6.907 0.105 -5.305 1.00 0.00 C ATOM 125 CZ2 TRP A 7 8.595 0.464 -7.541 1.00 0.00 C ATOM 126 CZ3 TRP A 7 8.241 -0.232 -5.255 1.00 0.00 C ATOM 127 CH2 TRP A 7 9.072 -0.054 -6.365 1.00 0.00 C ATOM 0 H TRP A 7 1.390 0.947 -6.023 1.00 0.00 H new ATOM 0 HA TRP A 7 3.170 -0.568 -7.325 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.235 1.893 -6.317 1.00 0.00 H new ATOM 0 HB3 TRP A 7 4.125 1.134 -5.012 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.387 1.877 -8.768 1.00 0.00 H new ATOM 0 HE1 TRP A 7 6.840 1.565 -9.545 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.272 -0.034 -4.443 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.241 0.604 -8.395 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 8.652 -0.640 -4.344 1.00 0.00 H new ATOM 0 HH2 TRP A 7 10.113 -0.331 -6.294 1.00 0.00 H new ATOM 138 N THR A 8 4.827 -1.880 -5.859 1.00 0.00 N ATOM 139 CA THR A 8 5.531 -2.959 -5.165 1.00 0.00 C ATOM 140 C THR A 8 5.521 -2.780 -3.648 1.00 0.00 C ATOM 141 O THR A 8 5.673 -1.670 -3.141 1.00 0.00 O ATOM 142 CB THR A 8 6.977 -3.046 -5.664 1.00 0.00 C ATOM 143 OG1 THR A 8 7.167 -2.223 -6.801 1.00 0.00 O ATOM 144 CG2 THR A 8 7.394 -4.450 -6.040 1.00 0.00 C ATOM 0 H THR A 8 5.295 -1.561 -6.707 1.00 0.00 H new ATOM 0 HA THR A 8 5.002 -3.885 -5.389 1.00 0.00 H new ATOM 0 HB THR A 8 7.592 -2.711 -4.828 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.340 -1.302 -6.513 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.428 -4.442 -6.385 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.307 -5.101 -5.170 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.748 -4.820 -6.836 1.00 0.00 H new ATOM 152 N CYS A 9 5.349 -3.890 -2.929 1.00 0.00 N ATOM 153 CA CYS A 9 5.333 -3.863 -1.471 1.00 0.00 C ATOM 154 C CYS A 9 6.425 -4.765 -0.900 1.00 0.00 C ATOM 155 O CYS A 9 6.821 -5.751 -1.523 1.00 0.00 O ATOM 156 CB CYS A 9 3.958 -4.290 -0.940 1.00 0.00 C ATOM 157 SG CYS A 9 3.950 -4.837 0.805 1.00 0.00 S ATOM 0 H CYS A 9 5.219 -4.817 -3.335 1.00 0.00 H new ATOM 0 HA CYS A 9 5.529 -2.840 -1.149 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.266 -3.455 -1.048 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.579 -5.100 -1.563 1.00 0.00 H new ATOM 162 N ASP A 10 6.899 -4.419 0.291 1.00 0.00 N ATOM 163 CA ASP A 10 7.937 -5.189 0.962 1.00 0.00 C ATOM 164 C ASP A 10 7.766 -5.101 2.475 1.00 0.00 C ATOM 165 O ASP A 10 6.701 -4.724 2.964 1.00 0.00 O ATOM 166 CB ASP A 10 9.322 -4.679 0.556 1.00 0.00 C ATOM 167 CG ASP A 10 10.323 -5.804 0.372 1.00 0.00 C ATOM 168 OD1 ASP A 10 9.894 -6.932 0.049 1.00 0.00 O ATOM 169 OD2 ASP A 10 11.533 -5.557 0.554 1.00 0.00 O ATOM 0 H ASP A 10 6.578 -3.604 0.814 1.00 0.00 H new ATOM 0 HA ASP A 10 7.846 -6.232 0.660 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.240 -4.114 -0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 10 9.690 -3.990 1.317 1.00 0.00 H new ATOM 174 N GLU A 11 8.815 -5.444 3.218 1.00 0.00 N ATOM 175 CA GLU A 11 8.765 -5.393 4.676 1.00 0.00 C ATOM 176 C GLU A 11 8.246 -4.038 5.149 1.00 0.00 C ATOM 177 O GLU A 11 7.447 -3.956 6.083 1.00 0.00 O ATOM 178 CB GLU A 11 10.153 -5.655 5.265 1.00 0.00 C ATOM 179 CG GLU A 11 11.250 -4.812 4.636 1.00 0.00 C ATOM 180 CD GLU A 11 12.531 -5.591 4.415 1.00 0.00 C ATOM 181 OE1 GLU A 11 12.448 -6.819 4.198 1.00 0.00 O ATOM 182 OE2 GLU A 11 13.617 -4.976 4.459 1.00 0.00 O ATOM 0 H GLU A 11 9.707 -5.759 2.836 1.00 0.00 H new ATOM 0 HA GLU A 11 8.081 -6.168 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.126 -5.460 6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.399 -6.709 5.139 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.899 -4.419 3.682 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.457 -3.955 5.277 1.00 0.00 H new ATOM 189 N GLU A 12 8.703 -2.978 4.491 1.00 0.00 N ATOM 190 CA GLU A 12 8.287 -1.622 4.828 1.00 0.00 C ATOM 191 C GLU A 12 8.770 -0.635 3.771 1.00 0.00 C ATOM 192 O GLU A 12 9.932 -0.229 3.775 1.00 0.00 O ATOM 193 CB GLU A 12 8.830 -1.225 6.202 1.00 0.00 C ATOM 194 CG GLU A 12 10.348 -1.257 6.288 1.00 0.00 C ATOM 195 CD GLU A 12 10.961 0.130 6.296 1.00 0.00 C ATOM 196 OE1 GLU A 12 10.277 1.083 5.866 1.00 0.00 O ATOM 197 OE2 GLU A 12 12.124 0.263 6.731 1.00 0.00 O ATOM 0 H GLU A 12 9.365 -3.033 3.717 1.00 0.00 H new ATOM 0 HA GLU A 12 7.198 -1.596 4.858 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.482 -0.221 6.445 1.00 0.00 H new ATOM 0 HB3 GLU A 12 8.417 -1.897 6.955 1.00 0.00 H new ATOM 0 HG2 GLU A 12 10.646 -1.787 7.193 1.00 0.00 H new ATOM 0 HG3 GLU A 12 10.744 -1.820 5.443 1.00 0.00 H new ATOM 204 N ARG A 13 7.876 -0.254 2.863 1.00 0.00 N ATOM 205 CA ARG A 13 8.226 0.684 1.803 1.00 0.00 C ATOM 206 C ARG A 13 7.845 2.113 2.182 1.00 0.00 C ATOM 207 O ARG A 13 7.400 2.372 3.301 1.00 0.00 O ATOM 208 CB ARG A 13 7.558 0.278 0.486 1.00 0.00 C ATOM 209 CG ARG A 13 6.043 0.406 0.493 1.00 0.00 C ATOM 210 CD ARG A 13 5.397 -0.554 -0.494 1.00 0.00 C ATOM 211 NE ARG A 13 4.397 0.106 -1.335 1.00 0.00 N ATOM 212 CZ ARG A 13 4.674 1.102 -2.175 1.00 0.00 C ATOM 213 NH1 ARG A 13 5.918 1.539 -2.313 1.00 0.00 N ATOM 214 NH2 ARG A 13 3.703 1.655 -2.888 1.00 0.00 N ATOM 0 H ARG A 13 6.909 -0.579 2.840 1.00 0.00 H new ATOM 0 HA ARG A 13 9.307 0.652 1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.960 0.894 -0.318 1.00 0.00 H new ATOM 0 HB3 ARG A 13 7.824 -0.755 0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.665 0.207 1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.762 1.429 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 13 6.167 -0.995 -1.127 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.927 -1.372 0.052 1.00 0.00 H new ATOM 0 HE ARG A 13 3.431 -0.216 -1.274 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.671 1.112 -1.774 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.122 2.302 -2.958 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.745 1.318 -2.793 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.914 2.418 -3.532 1.00 0.00 H new ATOM 228 N LYS A 14 8.041 3.039 1.249 1.00 0.00 N ATOM 229 CA LYS A 14 7.740 4.449 1.484 1.00 0.00 C ATOM 230 C LYS A 14 6.239 4.705 1.602 1.00 0.00 C ATOM 231 O LYS A 14 5.824 5.688 2.213 1.00 0.00 O ATOM 232 CB LYS A 14 8.321 5.305 0.358 1.00 0.00 C ATOM 233 CG LYS A 14 9.833 5.446 0.419 1.00 0.00 C ATOM 234 CD LYS A 14 10.522 4.094 0.329 1.00 0.00 C ATOM 235 CE LYS A 14 12.022 4.245 0.143 1.00 0.00 C ATOM 236 NZ LYS A 14 12.647 2.994 -0.370 1.00 0.00 N ATOM 0 H LYS A 14 8.408 2.838 0.319 1.00 0.00 H new ATOM 0 HA LYS A 14 8.199 4.724 2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.044 4.866 -0.601 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.870 6.297 0.397 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.173 6.084 -0.397 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.116 5.939 1.349 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.322 3.522 1.235 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.106 3.527 -0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 14 12.221 5.061 -0.551 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.480 4.516 1.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.671 3.138 -0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.479 2.220 0.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.228 2.749 -1.290 1.00 0.00 H new ATOM 250 N CYS A 15 5.439 3.822 1.003 1.00 0.00 N ATOM 251 CA CYS A 15 3.974 3.943 1.019 1.00 0.00 C ATOM 252 C CYS A 15 3.475 4.731 2.230 1.00 0.00 C ATOM 253 O CYS A 15 3.733 4.361 3.376 1.00 0.00 O ATOM 254 CB CYS A 15 3.315 2.561 1.002 1.00 0.00 C ATOM 255 SG CYS A 15 2.171 2.300 -0.392 1.00 0.00 S ATOM 0 H CYS A 15 5.782 3.007 0.495 1.00 0.00 H new ATOM 0 HA CYS A 15 3.694 4.491 0.119 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.094 1.799 0.966 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.771 2.418 1.936 1.00 0.00 H new ATOM 260 N CYS A 16 2.765 5.821 1.957 1.00 0.00 N ATOM 261 CA CYS A 16 2.226 6.681 3.014 1.00 0.00 C ATOM 262 C CYS A 16 1.594 5.850 4.130 1.00 0.00 C ATOM 263 O CYS A 16 1.118 4.739 3.899 1.00 0.00 O ATOM 264 CB CYS A 16 1.197 7.685 2.454 1.00 0.00 C ATOM 265 SG CYS A 16 0.648 7.375 0.738 1.00 0.00 S ATOM 0 H CYS A 16 2.547 6.133 1.011 1.00 0.00 H new ATOM 0 HA CYS A 16 3.062 7.244 3.429 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.321 7.681 3.103 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.627 8.685 2.504 1.00 0.00 H new ATOM 270 N GLU A 17 1.606 6.396 5.344 1.00 0.00 N ATOM 271 CA GLU A 17 1.049 5.708 6.507 1.00 0.00 C ATOM 272 C GLU A 17 -0.375 5.225 6.251 1.00 0.00 C ATOM 273 O GLU A 17 -0.841 4.277 6.883 1.00 0.00 O ATOM 274 CB GLU A 17 1.074 6.629 7.727 1.00 0.00 C ATOM 275 CG GLU A 17 2.420 7.295 7.960 1.00 0.00 C ATOM 276 CD GLU A 17 2.657 7.635 9.419 1.00 0.00 C ATOM 277 OE1 GLU A 17 2.186 8.704 9.863 1.00 0.00 O ATOM 278 OE2 GLU A 17 3.314 6.834 10.116 1.00 0.00 O ATOM 0 H GLU A 17 1.997 7.316 5.548 1.00 0.00 H new ATOM 0 HA GLU A 17 1.669 4.833 6.699 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.313 7.400 7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.805 6.053 8.612 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.214 6.634 7.611 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.479 8.206 7.364 1.00 0.00 H new ATOM 285 N GLY A 18 -1.064 5.880 5.326 1.00 0.00 N ATOM 286 CA GLY A 18 -2.428 5.500 5.012 1.00 0.00 C ATOM 287 C GLY A 18 -2.507 4.455 3.917 1.00 0.00 C ATOM 288 O GLY A 18 -3.276 4.601 2.966 1.00 0.00 O ATOM 0 H GLY A 18 -0.703 6.667 4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.910 5.115 5.911 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.986 6.385 4.705 1.00 0.00 H new ATOM 292 N LEU A 19 -1.711 3.396 4.046 1.00 0.00 N ATOM 293 CA LEU A 19 -1.698 2.326 3.054 1.00 0.00 C ATOM 294 C LEU A 19 -1.189 1.020 3.657 1.00 0.00 C ATOM 295 O LEU A 19 -0.230 1.013 4.429 1.00 0.00 O ATOM 296 CB LEU A 19 -0.819 2.712 1.863 1.00 0.00 C ATOM 297 CG LEU A 19 -1.280 3.939 1.075 1.00 0.00 C ATOM 298 CD1 LEU A 19 -0.235 4.328 0.041 1.00 0.00 C ATOM 299 CD2 LEU A 19 -2.621 3.672 0.407 1.00 0.00 C ATOM 0 H LEU A 19 -1.069 3.257 4.826 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.724 2.178 2.716 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.193 2.893 2.224 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.767 1.863 1.182 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.404 4.770 1.770 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.578 5.203 -0.512 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.704 4.561 0.543 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.081 3.500 -0.650 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.933 4.556 -0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.525 2.828 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.367 3.440 1.168 1.00 0.00 H new ATOM 311 N VAL A 20 -1.827 -0.085 3.284 1.00 0.00 N ATOM 312 CA VAL A 20 -1.428 -1.400 3.771 1.00 0.00 C ATOM 313 C VAL A 20 -0.359 -1.994 2.859 1.00 0.00 C ATOM 314 O VAL A 20 -0.204 -1.563 1.717 1.00 0.00 O ATOM 315 CB VAL A 20 -2.631 -2.363 3.844 1.00 0.00 C ATOM 316 CG1 VAL A 20 -3.251 -2.555 2.469 1.00 0.00 C ATOM 317 CG2 VAL A 20 -2.214 -3.699 4.441 1.00 0.00 C ATOM 0 H VAL A 20 -2.623 -0.095 2.646 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.027 -1.273 4.777 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.384 -1.920 4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.097 -3.238 2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.593 -1.593 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.508 -2.972 1.790 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.077 -4.364 4.484 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.440 -4.149 3.820 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.826 -3.543 5.448 1.00 0.00 H new ATOM 327 N CYS A 21 0.387 -2.974 3.362 1.00 0.00 N ATOM 328 CA CYS A 21 1.440 -3.593 2.565 1.00 0.00 C ATOM 329 C CYS A 21 1.278 -5.106 2.470 1.00 0.00 C ATOM 330 O CYS A 21 1.338 -5.822 3.470 1.00 0.00 O ATOM 331 CB CYS A 21 2.817 -3.254 3.136 1.00 0.00 C ATOM 332 SG CYS A 21 4.125 -3.118 1.872 1.00 0.00 S ATOM 0 H CYS A 21 0.284 -3.352 4.304 1.00 0.00 H new ATOM 0 HA CYS A 21 1.355 -3.186 1.557 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.752 -2.312 3.681 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.100 -4.021 3.857 1.00 0.00 H new ATOM 337 N ARG A 22 1.096 -5.577 1.242 1.00 0.00 N ATOM 338 CA ARG A 22 0.950 -6.998 0.955 1.00 0.00 C ATOM 339 C ARG A 22 1.006 -7.204 -0.552 1.00 0.00 C ATOM 340 O ARG A 22 0.018 -6.980 -1.249 1.00 0.00 O ATOM 341 CB ARG A 22 -0.371 -7.528 1.515 1.00 0.00 C ATOM 342 CG ARG A 22 -0.249 -8.107 2.916 1.00 0.00 C ATOM 343 CD ARG A 22 -1.183 -9.289 3.114 1.00 0.00 C ATOM 344 NE ARG A 22 -2.538 -8.865 3.457 1.00 0.00 N ATOM 345 CZ ARG A 22 -3.571 -9.698 3.566 1.00 0.00 C ATOM 346 NH1 ARG A 22 -3.408 -10.999 3.358 1.00 0.00 N ATOM 347 NH2 ARG A 22 -4.770 -9.229 3.883 1.00 0.00 N ATOM 0 H ARG A 22 1.045 -4.982 0.415 1.00 0.00 H new ATOM 0 HA ARG A 22 1.761 -7.549 1.432 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.101 -6.719 1.527 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.758 -8.296 0.846 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.780 -8.421 3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.477 -7.335 3.651 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.210 -9.886 2.203 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.793 -9.931 3.904 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.703 -7.872 3.623 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.488 -11.365 3.113 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.203 -11.633 3.443 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.901 -8.230 4.043 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.561 -9.867 3.967 1.00 0.00 H new ATOM 361 N LEU A 23 2.175 -7.603 -1.054 1.00 0.00 N ATOM 362 CA LEU A 23 2.370 -7.800 -2.490 1.00 0.00 C ATOM 363 C LEU A 23 2.310 -6.453 -3.209 1.00 0.00 C ATOM 364 O LEU A 23 3.290 -6.013 -3.811 1.00 0.00 O ATOM 365 CB LEU A 23 1.317 -8.758 -3.061 1.00 0.00 C ATOM 366 CG LEU A 23 1.798 -10.194 -3.276 1.00 0.00 C ATOM 367 CD1 LEU A 23 0.712 -11.027 -3.938 1.00 0.00 C ATOM 368 CD2 LEU A 23 3.069 -10.210 -4.113 1.00 0.00 C ATOM 0 H LEU A 23 3.001 -7.796 -0.487 1.00 0.00 H new ATOM 0 HA LEU A 23 3.351 -8.247 -2.649 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.460 -8.775 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.966 -8.362 -4.014 1.00 0.00 H new ATOM 0 HG LEU A 23 2.021 -10.632 -2.303 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.072 -12.045 -4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.173 -11.042 -3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.457 -10.591 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.397 -11.239 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.872 -9.754 -5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.850 -9.648 -3.600 1.00 0.00 H new ATOM 380 N TRP A 24 1.158 -5.798 -3.118 1.00 0.00 N ATOM 381 CA TRP A 24 0.952 -4.492 -3.726 1.00 0.00 C ATOM 382 C TRP A 24 0.182 -3.596 -2.758 1.00 0.00 C ATOM 383 O TRP A 24 -0.895 -3.966 -2.291 1.00 0.00 O ATOM 384 CB TRP A 24 0.180 -4.625 -5.042 1.00 0.00 C ATOM 385 CG TRP A 24 -0.851 -5.714 -5.027 1.00 0.00 C ATOM 386 CD1 TRP A 24 -2.026 -5.722 -4.332 1.00 0.00 C ATOM 387 CD2 TRP A 24 -0.797 -6.952 -5.741 1.00 0.00 C ATOM 388 NE1 TRP A 24 -2.705 -6.892 -4.569 1.00 0.00 N ATOM 389 CE2 TRP A 24 -1.972 -7.664 -5.432 1.00 0.00 C ATOM 390 CE3 TRP A 24 0.130 -7.528 -6.613 1.00 0.00 C ATOM 391 CZ2 TRP A 24 -2.241 -8.923 -5.964 1.00 0.00 C ATOM 392 CZ3 TRP A 24 -0.137 -8.778 -7.141 1.00 0.00 C ATOM 393 CH2 TRP A 24 -1.315 -9.463 -6.815 1.00 0.00 C ATOM 0 H TRP A 24 0.343 -6.158 -2.621 1.00 0.00 H new ATOM 0 HA TRP A 24 1.923 -4.046 -3.941 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -0.309 -3.676 -5.264 1.00 0.00 H new ATOM 0 HB3 TRP A 24 0.886 -4.816 -5.850 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.371 -4.925 -3.690 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -3.608 -7.145 -4.168 1.00 0.00 H new ATOM 0 HE3 TRP A 24 1.040 -7.006 -6.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.148 -9.454 -5.714 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 0.574 -9.233 -7.815 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -1.496 -10.437 -7.244 1.00 0.00 H new ATOM 404 N CYS A 25 0.740 -2.428 -2.446 1.00 0.00 N ATOM 405 CA CYS A 25 0.099 -1.497 -1.515 1.00 0.00 C ATOM 406 C CYS A 25 -1.397 -1.366 -1.794 1.00 0.00 C ATOM 407 O CYS A 25 -1.815 -1.209 -2.941 1.00 0.00 O ATOM 408 CB CYS A 25 0.767 -0.121 -1.583 1.00 0.00 C ATOM 409 SG CYS A 25 1.265 0.536 0.045 1.00 0.00 S ATOM 0 H CYS A 25 1.631 -2.103 -2.822 1.00 0.00 H new ATOM 0 HA CYS A 25 0.222 -1.903 -0.511 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.647 -0.186 -2.223 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.081 0.583 -2.054 1.00 0.00 H new ATOM 414 N LYS A 26 -2.198 -1.438 -0.735 1.00 0.00 N ATOM 415 CA LYS A 26 -3.646 -1.332 -0.863 1.00 0.00 C ATOM 416 C LYS A 26 -4.197 -0.254 0.064 1.00 0.00 C ATOM 417 O LYS A 26 -3.478 0.275 0.912 1.00 0.00 O ATOM 418 CB LYS A 26 -4.306 -2.678 -0.549 1.00 0.00 C ATOM 419 CG LYS A 26 -4.584 -3.521 -1.783 1.00 0.00 C ATOM 420 CD LYS A 26 -5.204 -4.859 -1.416 1.00 0.00 C ATOM 421 CE LYS A 26 -6.570 -4.682 -0.773 1.00 0.00 C ATOM 422 NZ LYS A 26 -7.282 -5.981 -0.615 1.00 0.00 N ATOM 0 H LYS A 26 -1.868 -1.569 0.221 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.876 -1.053 -1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.662 -3.240 0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.243 -2.500 -0.022 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.254 -2.980 -2.451 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.655 -3.687 -2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.299 -5.475 -2.310 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.544 -5.391 -0.731 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.454 -4.211 0.203 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.173 -4.009 -1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.209 -5.817 -0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.416 -6.419 -1.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.719 -6.615 -0.013 1.00 0.00 H new ATOM 436 N ARG A 27 -5.475 0.069 -0.104 1.00 0.00 N ATOM 437 CA ARG A 27 -6.122 1.085 0.718 1.00 0.00 C ATOM 438 C ARG A 27 -7.350 0.515 1.422 1.00 0.00 C ATOM 439 O ARG A 27 -7.803 -0.585 1.105 1.00 0.00 O ATOM 440 CB ARG A 27 -6.523 2.286 -0.140 1.00 0.00 C ATOM 441 CG ARG A 27 -7.563 1.958 -1.198 1.00 0.00 C ATOM 442 CD ARG A 27 -6.918 1.687 -2.548 1.00 0.00 C ATOM 443 NE ARG A 27 -7.778 2.095 -3.657 1.00 0.00 N ATOM 444 CZ ARG A 27 -8.033 3.363 -3.971 1.00 0.00 C ATOM 445 NH1 ARG A 27 -7.496 4.349 -3.261 1.00 0.00 N ATOM 446 NH2 ARG A 27 -8.826 3.646 -4.995 1.00 0.00 N ATOM 0 H ARG A 27 -6.083 -0.358 -0.802 1.00 0.00 H new ATOM 0 HA ARG A 27 -5.410 1.411 1.476 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -6.912 3.071 0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.634 2.686 -0.628 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -8.138 1.086 -0.887 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -8.265 2.787 -1.289 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.969 2.220 -2.610 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.693 0.624 -2.636 1.00 0.00 H new ATOM 0 HE ARG A 27 -8.208 1.365 -4.224 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.886 4.136 -2.472 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.694 5.319 -3.505 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -9.241 2.892 -5.542 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.021 4.618 -5.235 1.00 0.00 H new ATOM 460 N ILE A 28 -7.879 1.272 2.382 1.00 0.00 N ATOM 461 CA ILE A 28 -9.052 0.854 3.144 1.00 0.00 C ATOM 462 C ILE A 28 -10.109 0.204 2.258 1.00 0.00 C ATOM 463 O ILE A 28 -10.249 0.540 1.083 1.00 0.00 O ATOM 464 CB ILE A 28 -9.675 2.055 3.899 1.00 0.00 C ATOM 465 CG1 ILE A 28 -8.915 2.303 5.199 1.00 0.00 C ATOM 466 CG2 ILE A 28 -11.153 1.821 4.191 1.00 0.00 C ATOM 467 CD1 ILE A 28 -8.760 1.056 6.035 1.00 0.00 C ATOM 0 H ILE A 28 -7.510 2.184 2.651 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.710 0.111 3.864 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.595 2.935 3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.928 2.704 4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.438 3.062 5.781 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.560 2.682 4.721 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.692 1.684 3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -11.265 0.929 4.807 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.212 1.295 6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.745 0.668 6.295 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -8.211 0.304 5.468 1.00 0.00 H new ATOM 479 N ILE A 29 -10.854 -0.727 2.844 1.00 0.00 N ATOM 480 CA ILE A 29 -11.904 -1.424 2.124 1.00 0.00 C ATOM 481 C ILE A 29 -13.127 -1.643 3.009 1.00 0.00 C ATOM 482 O ILE A 29 -13.062 -2.357 4.010 1.00 0.00 O ATOM 483 CB ILE A 29 -11.422 -2.787 1.590 1.00 0.00 C ATOM 484 CG1 ILE A 29 -10.062 -2.643 0.903 1.00 0.00 C ATOM 485 CG2 ILE A 29 -12.446 -3.373 0.630 1.00 0.00 C ATOM 486 CD1 ILE A 29 -8.893 -2.996 1.799 1.00 0.00 C ATOM 0 H ILE A 29 -10.747 -1.014 3.817 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.175 -0.790 1.280 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.310 -3.469 2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.040 -3.283 0.021 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.946 -1.616 0.555 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.091 -4.335 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.394 -3.511 1.149 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.588 -2.693 -0.210 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.961 -2.871 1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.890 -2.339 2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -8.985 -4.032 2.126 1.00 0.00 H new ATOM 498 N ASN A 30 -14.240 -1.022 2.633 1.00 0.00 N ATOM 499 CA ASN A 30 -15.479 -1.148 3.393 1.00 0.00 C ATOM 500 C ASN A 30 -16.684 -1.220 2.461 1.00 0.00 C ATOM 501 O ASN A 30 -16.603 -0.837 1.293 1.00 0.00 O ATOM 502 CB ASN A 30 -15.634 0.032 4.354 1.00 0.00 C ATOM 503 CG ASN A 30 -16.859 -0.100 5.239 1.00 0.00 C ATOM 504 OD1 ASN A 30 -16.839 -0.806 6.247 1.00 0.00 O ATOM 505 ND2 ASN A 30 -17.935 0.580 4.862 1.00 0.00 N ATOM 0 H ASN A 30 -14.310 -0.427 1.808 1.00 0.00 H new ATOM 0 HA ASN A 30 -15.431 -2.073 3.968 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.744 0.107 4.979 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.701 0.957 3.781 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -18.790 0.529 5.416 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -17.907 1.153 4.019 1.00 0.00 H new ATOM 512 N MET A 31 -17.802 -1.714 2.984 1.00 0.00 N ATOM 513 CA MET A 31 -19.024 -1.837 2.199 1.00 0.00 C ATOM 514 C MET A 31 -18.811 -2.755 0.999 1.00 0.00 C ATOM 515 O MET A 31 -19.808 -3.084 0.323 1.00 0.00 O ATOM 516 CB MET A 31 -19.491 -0.459 1.724 1.00 0.00 C ATOM 517 CG MET A 31 -20.783 -0.496 0.926 1.00 0.00 C ATOM 518 SD MET A 31 -21.423 1.151 0.563 1.00 0.00 S ATOM 519 CE MET A 31 -21.765 1.001 -1.189 1.00 0.00 C ATOM 520 OXT MET A 31 -17.649 -3.136 0.747 1.00 0.00 O ATOM 0 H MET A 31 -17.886 -2.035 3.948 1.00 0.00 H new ATOM 0 HA MET A 31 -19.792 -2.274 2.837 1.00 0.00 H new ATOM 0 HB2 MET A 31 -19.628 0.188 2.591 1.00 0.00 H new ATOM 0 HB3 MET A 31 -18.708 -0.011 1.112 1.00 0.00 H new ATOM 0 HG2 MET A 31 -20.613 -1.030 -0.009 1.00 0.00 H new ATOM 0 HG3 MET A 31 -21.533 -1.059 1.482 1.00 0.00 H new ATOM 0 HE1 MET A 31 -22.168 1.942 -1.563 1.00 0.00 H new ATOM 0 HE2 MET A 31 -20.843 0.764 -1.721 1.00 0.00 H new ATOM 0 HE3 MET A 31 -22.492 0.205 -1.351 1.00 0.00 H new TER 530 MET A 31