USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=6 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+ -139:sc= 0.0534 (180deg=0) USER MOD Single : A 1 TYR OH : rot -103:sc= 1.24 USER MOD Single : A 3 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.67) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl -177:sc= -3.8 (180deg=-3.82) USER MOD Single : A 8 THR OG1 : rot 88:sc= 0.938 USER MOD Single : A 14 LYS NZ :NH3+ -154:sc= -0.301 (180deg=-1.19!) USER MOD Single : A 26 LYS NZ :NH3+ -119:sc= 0.0112 (180deg=-0.0335) USER MOD Single : A 30 ASN : amide:sc= -0.143 X(o=-0.14,f=0) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 8.795 10.710 1.371 1.00 0.00 N ATOM 2 CA TYR A 1 8.324 9.311 1.546 1.00 0.00 C ATOM 3 C TYR A 1 7.033 9.062 0.773 1.00 0.00 C ATOM 4 O TYR A 1 6.543 9.943 0.065 1.00 0.00 O ATOM 5 CB TYR A 1 8.103 9.055 3.038 1.00 0.00 C ATOM 6 CG TYR A 1 8.491 7.661 3.477 1.00 0.00 C ATOM 7 CD1 TYR A 1 9.768 7.167 3.239 1.00 0.00 C ATOM 8 CD2 TYR A 1 7.582 6.839 4.131 1.00 0.00 C ATOM 9 CE1 TYR A 1 10.128 5.894 3.639 1.00 0.00 C ATOM 10 CE2 TYR A 1 7.934 5.565 4.534 1.00 0.00 C ATOM 11 CZ TYR A 1 9.207 5.097 4.285 1.00 0.00 C ATOM 12 OH TYR A 1 9.560 3.829 4.685 1.00 0.00 O ATOM 0 H1 TYR A 1 9.828 10.716 1.252 1.00 0.00 H new ATOM 0 H2 TYR A 1 8.347 11.124 0.529 1.00 0.00 H new ATOM 0 H3 TYR A 1 8.540 11.270 2.210 1.00 0.00 H new ATOM 0 HA TYR A 1 9.078 8.628 1.154 1.00 0.00 H new ATOM 0 HB2 TYR A 1 8.679 9.781 3.612 1.00 0.00 H new ATOM 0 HB3 TYR A 1 7.052 9.222 3.275 1.00 0.00 H new ATOM 0 HD1 TYR A 1 10.492 7.789 2.733 1.00 0.00 H new ATOM 0 HD2 TYR A 1 6.584 7.202 4.328 1.00 0.00 H new ATOM 0 HE1 TYR A 1 11.125 5.526 3.447 1.00 0.00 H new ATOM 0 HE2 TYR A 1 7.215 4.939 5.042 1.00 0.00 H new ATOM 0 HH TYR A 1 9.175 3.172 4.068 1.00 0.00 H new ATOM 24 N CYS A 2 6.489 7.858 0.912 1.00 0.00 N ATOM 25 CA CYS A 2 5.254 7.489 0.225 1.00 0.00 C ATOM 26 C CYS A 2 5.474 7.395 -1.283 1.00 0.00 C ATOM 27 O CYS A 2 5.518 8.410 -1.976 1.00 0.00 O ATOM 28 CB CYS A 2 4.140 8.497 0.530 1.00 0.00 C ATOM 29 SG CYS A 2 3.921 8.866 2.300 1.00 0.00 S ATOM 0 H CYS A 2 6.883 7.119 1.495 1.00 0.00 H new ATOM 0 HA CYS A 2 4.950 6.509 0.593 1.00 0.00 H new ATOM 0 HB2 CYS A 2 4.353 9.426 0.002 1.00 0.00 H new ATOM 0 HB3 CYS A 2 3.201 8.113 0.133 1.00 0.00 H new ATOM 34 N GLN A 3 5.608 6.168 -1.784 1.00 0.00 N ATOM 35 CA GLN A 3 5.820 5.944 -3.210 1.00 0.00 C ATOM 36 C GLN A 3 4.658 6.509 -4.024 1.00 0.00 C ATOM 37 O GLN A 3 4.710 7.653 -4.476 1.00 0.00 O ATOM 38 CB GLN A 3 6.001 4.450 -3.503 1.00 0.00 C ATOM 39 CG GLN A 3 7.438 3.974 -3.369 1.00 0.00 C ATOM 40 CD GLN A 3 8.124 3.810 -4.712 1.00 0.00 C ATOM 41 OE1 GLN A 3 8.825 2.825 -4.947 1.00 0.00 O ATOM 42 NE2 GLN A 3 7.925 4.776 -5.601 1.00 0.00 N ATOM 0 H GLN A 3 5.573 5.316 -1.224 1.00 0.00 H new ATOM 0 HA GLN A 3 6.731 6.465 -3.503 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.372 3.876 -2.823 1.00 0.00 H new ATOM 0 HB3 GLN A 3 5.651 4.241 -4.514 1.00 0.00 H new ATOM 0 HG2 GLN A 3 7.998 4.686 -2.763 1.00 0.00 H new ATOM 0 HG3 GLN A 3 7.454 3.022 -2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.336 5.574 -5.363 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.361 4.720 -6.521 1.00 0.00 H new ATOM 51 N LYS A 4 3.605 5.712 -4.203 1.00 0.00 N ATOM 52 CA LYS A 4 2.439 6.160 -4.958 1.00 0.00 C ATOM 53 C LYS A 4 1.359 5.081 -5.022 1.00 0.00 C ATOM 54 O LYS A 4 0.938 4.673 -6.106 1.00 0.00 O ATOM 55 CB LYS A 4 2.844 6.578 -6.374 1.00 0.00 C ATOM 56 CG LYS A 4 2.053 7.764 -6.905 1.00 0.00 C ATOM 57 CD LYS A 4 2.161 8.967 -5.981 1.00 0.00 C ATOM 58 CE LYS A 4 0.957 9.072 -5.056 1.00 0.00 C ATOM 59 NZ LYS A 4 -0.015 10.099 -5.522 1.00 0.00 N ATOM 0 H LYS A 4 3.537 4.762 -3.839 1.00 0.00 H new ATOM 0 HA LYS A 4 2.024 7.021 -4.435 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.905 6.826 -6.382 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.710 5.731 -7.047 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.419 8.032 -7.896 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.006 7.483 -7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.072 8.890 -5.387 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.245 9.877 -6.575 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.460 8.104 -4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.293 9.321 -4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -0.820 10.139 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.451 11.028 -5.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.356 9.848 -6.472 1.00 0.00 H new ATOM 73 N TRP A 5 0.897 4.642 -3.856 1.00 0.00 N ATOM 74 CA TRP A 5 -0.153 3.629 -3.782 1.00 0.00 C ATOM 75 C TRP A 5 0.252 2.340 -4.493 1.00 0.00 C ATOM 76 O TRP A 5 1.127 2.338 -5.358 1.00 0.00 O ATOM 77 CB TRP A 5 -1.444 4.183 -4.392 1.00 0.00 C ATOM 78 CG TRP A 5 -2.591 3.218 -4.375 1.00 0.00 C ATOM 79 CD1 TRP A 5 -3.179 2.659 -3.277 1.00 0.00 C ATOM 80 CD2 TRP A 5 -3.294 2.705 -5.512 1.00 0.00 C ATOM 81 NE1 TRP A 5 -4.204 1.830 -3.661 1.00 0.00 N ATOM 82 CE2 TRP A 5 -4.295 1.840 -5.028 1.00 0.00 C ATOM 83 CE3 TRP A 5 -3.175 2.891 -6.892 1.00 0.00 C ATOM 84 CZ2 TRP A 5 -5.170 1.165 -5.876 1.00 0.00 C ATOM 85 CZ3 TRP A 5 -4.044 2.221 -7.733 1.00 0.00 C ATOM 86 CH2 TRP A 5 -5.031 1.367 -7.222 1.00 0.00 C ATOM 0 H TRP A 5 1.232 4.970 -2.950 1.00 0.00 H new ATOM 0 HA TRP A 5 -0.315 3.387 -2.732 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -1.732 5.083 -3.850 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -1.248 4.480 -5.422 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -2.881 2.842 -2.255 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -4.801 1.294 -3.031 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -2.417 3.547 -7.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -5.931 0.506 -5.485 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -3.961 2.358 -8.801 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -5.695 0.858 -7.905 1.00 0.00 H new ATOM 97 N MET A 6 -0.404 1.248 -4.110 1.00 0.00 N ATOM 98 CA MET A 6 -0.151 -0.074 -4.681 1.00 0.00 C ATOM 99 C MET A 6 1.333 -0.312 -4.946 1.00 0.00 C ATOM 100 O MET A 6 1.702 -0.910 -5.957 1.00 0.00 O ATOM 101 CB MET A 6 -0.945 -0.254 -5.976 1.00 0.00 C ATOM 102 CG MET A 6 -2.442 -0.410 -5.756 1.00 0.00 C ATOM 103 SD MET A 6 -2.991 -2.122 -5.895 1.00 0.00 S ATOM 104 CE MET A 6 -4.766 -1.901 -5.985 1.00 0.00 C ATOM 0 H MET A 6 -1.129 1.254 -3.392 1.00 0.00 H new ATOM 0 HA MET A 6 -0.478 -0.810 -3.946 1.00 0.00 H new ATOM 0 HB2 MET A 6 -0.769 0.606 -6.623 1.00 0.00 H new ATOM 0 HB3 MET A 6 -0.570 -1.131 -6.503 1.00 0.00 H new ATOM 0 HG2 MET A 6 -2.702 -0.029 -4.769 1.00 0.00 H new ATOM 0 HG3 MET A 6 -2.978 0.199 -6.484 1.00 0.00 H new ATOM 0 HE1 MET A 6 -5.253 -2.876 -6.020 1.00 0.00 H new ATOM 0 HE2 MET A 6 -5.110 -1.355 -5.106 1.00 0.00 H new ATOM 0 HE3 MET A 6 -5.017 -1.337 -6.883 1.00 0.00 H new ATOM 114 N TRP A 7 2.179 0.144 -4.031 1.00 0.00 N ATOM 115 CA TRP A 7 3.613 -0.041 -4.174 1.00 0.00 C ATOM 116 C TRP A 7 4.056 -1.316 -3.455 1.00 0.00 C ATOM 117 O TRP A 7 3.421 -1.751 -2.495 1.00 0.00 O ATOM 118 CB TRP A 7 4.368 1.173 -3.612 1.00 0.00 C ATOM 119 CG TRP A 7 5.628 0.793 -2.901 1.00 0.00 C ATOM 120 CD1 TRP A 7 5.832 0.762 -1.555 1.00 0.00 C ATOM 121 CD2 TRP A 7 6.846 0.358 -3.505 1.00 0.00 C ATOM 122 NE1 TRP A 7 7.110 0.334 -1.284 1.00 0.00 N ATOM 123 CE2 TRP A 7 7.751 0.079 -2.467 1.00 0.00 C ATOM 124 CE3 TRP A 7 7.257 0.178 -4.825 1.00 0.00 C ATOM 125 CZ2 TRP A 7 9.043 -0.373 -2.710 1.00 0.00 C ATOM 126 CZ3 TRP A 7 8.539 -0.273 -5.068 1.00 0.00 C ATOM 127 CH2 TRP A 7 9.419 -0.545 -4.014 1.00 0.00 C ATOM 0 H TRP A 7 1.897 0.642 -3.187 1.00 0.00 H new ATOM 0 HA TRP A 7 3.847 -0.136 -5.234 1.00 0.00 H new ATOM 0 HB2 TRP A 7 4.608 1.855 -4.427 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.717 1.714 -2.925 1.00 0.00 H new ATOM 0 HD1 TRP A 7 5.098 1.034 -0.810 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.515 0.224 -0.354 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.584 0.388 -5.643 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.725 -0.581 -1.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 8.868 -0.418 -6.086 1.00 0.00 H new ATOM 0 HH2 TRP A 7 10.416 -0.898 -4.235 1.00 0.00 H new ATOM 138 N THR A 8 5.152 -1.907 -3.924 1.00 0.00 N ATOM 139 CA THR A 8 5.684 -3.125 -3.325 1.00 0.00 C ATOM 140 C THR A 8 5.784 -2.994 -1.806 1.00 0.00 C ATOM 141 O THR A 8 6.580 -2.207 -1.293 1.00 0.00 O ATOM 142 CB THR A 8 7.057 -3.448 -3.918 1.00 0.00 C ATOM 143 OG1 THR A 8 7.308 -2.655 -5.065 1.00 0.00 O ATOM 144 CG2 THR A 8 7.200 -4.894 -4.327 1.00 0.00 C ATOM 0 H THR A 8 5.689 -1.560 -4.719 1.00 0.00 H new ATOM 0 HA THR A 8 4.997 -3.941 -3.550 1.00 0.00 H new ATOM 0 HB THR A 8 7.773 -3.234 -3.125 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.720 -1.808 -4.794 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.195 -5.059 -4.740 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.058 -5.534 -3.456 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.450 -5.135 -5.081 1.00 0.00 H new ATOM 152 N CYS A 9 4.970 -3.767 -1.092 1.00 0.00 N ATOM 153 CA CYS A 9 4.966 -3.733 0.368 1.00 0.00 C ATOM 154 C CYS A 9 5.549 -5.017 0.945 1.00 0.00 C ATOM 155 O CYS A 9 5.084 -6.112 0.627 1.00 0.00 O ATOM 156 CB CYS A 9 3.536 -3.500 0.886 1.00 0.00 C ATOM 157 SG CYS A 9 2.990 -4.613 2.230 1.00 0.00 S ATOM 0 H CYS A 9 4.305 -4.424 -1.500 1.00 0.00 H new ATOM 0 HA CYS A 9 5.595 -2.906 0.697 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.459 -2.471 1.237 1.00 0.00 H new ATOM 0 HB3 CYS A 9 2.845 -3.604 0.050 1.00 0.00 H new ATOM 162 N ASP A 10 6.560 -4.867 1.804 1.00 0.00 N ATOM 163 CA ASP A 10 7.220 -6.009 2.452 1.00 0.00 C ATOM 164 C ASP A 10 8.647 -5.652 2.867 1.00 0.00 C ATOM 165 O ASP A 10 8.888 -5.247 4.004 1.00 0.00 O ATOM 166 CB ASP A 10 7.245 -7.241 1.535 1.00 0.00 C ATOM 167 CG ASP A 10 6.166 -8.248 1.889 1.00 0.00 C ATOM 168 OD1 ASP A 10 5.800 -8.331 3.080 1.00 0.00 O ATOM 169 OD2 ASP A 10 5.689 -8.953 0.976 1.00 0.00 O ATOM 0 H ASP A 10 6.943 -3.960 2.070 1.00 0.00 H new ATOM 0 HA ASP A 10 6.639 -6.251 3.342 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.116 -6.923 0.500 1.00 0.00 H new ATOM 0 HB3 ASP A 10 8.222 -7.720 1.602 1.00 0.00 H new ATOM 174 N GLU A 11 9.591 -5.813 1.941 1.00 0.00 N ATOM 175 CA GLU A 11 10.991 -5.512 2.214 1.00 0.00 C ATOM 176 C GLU A 11 11.190 -4.023 2.456 1.00 0.00 C ATOM 177 O GLU A 11 11.804 -3.621 3.446 1.00 0.00 O ATOM 178 CB GLU A 11 11.871 -5.974 1.051 1.00 0.00 C ATOM 179 CG GLU A 11 11.782 -7.466 0.776 1.00 0.00 C ATOM 180 CD GLU A 11 10.907 -7.789 -0.419 1.00 0.00 C ATOM 181 OE1 GLU A 11 9.679 -7.924 -0.235 1.00 0.00 O ATOM 182 OE2 GLU A 11 11.449 -7.904 -1.538 1.00 0.00 O ATOM 0 H GLU A 11 9.409 -6.150 0.996 1.00 0.00 H new ATOM 0 HA GLU A 11 11.282 -6.050 3.116 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.585 -5.429 0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 11 12.908 -5.714 1.265 1.00 0.00 H new ATOM 0 HG2 GLU A 11 12.784 -7.860 0.605 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.387 -7.971 1.658 1.00 0.00 H new ATOM 189 N GLU A 12 10.667 -3.205 1.550 1.00 0.00 N ATOM 190 CA GLU A 12 10.790 -1.759 1.674 1.00 0.00 C ATOM 191 C GLU A 12 9.463 -1.068 1.379 1.00 0.00 C ATOM 192 O GLU A 12 9.099 -0.865 0.220 1.00 0.00 O ATOM 193 CB GLU A 12 11.871 -1.236 0.726 1.00 0.00 C ATOM 194 CG GLU A 12 13.279 -1.649 1.123 1.00 0.00 C ATOM 195 CD GLU A 12 13.634 -1.231 2.536 1.00 0.00 C ATOM 196 OE1 GLU A 12 13.274 -0.101 2.929 1.00 0.00 O ATOM 197 OE2 GLU A 12 14.271 -2.034 3.251 1.00 0.00 O ATOM 0 H GLU A 12 10.156 -3.518 0.725 1.00 0.00 H new ATOM 0 HA GLU A 12 11.074 -1.533 2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.665 -1.598 -0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 12 11.817 -0.148 0.691 1.00 0.00 H new ATOM 0 HG2 GLU A 12 13.375 -2.731 1.034 1.00 0.00 H new ATOM 0 HG3 GLU A 12 13.993 -1.207 0.428 1.00 0.00 H new ATOM 204 N ARG A 13 8.750 -0.704 2.438 1.00 0.00 N ATOM 205 CA ARG A 13 7.469 -0.027 2.307 1.00 0.00 C ATOM 206 C ARG A 13 7.663 1.488 2.340 1.00 0.00 C ATOM 207 O ARG A 13 8.237 2.026 3.287 1.00 0.00 O ATOM 208 CB ARG A 13 6.535 -0.475 3.431 1.00 0.00 C ATOM 209 CG ARG A 13 5.295 -1.195 2.942 1.00 0.00 C ATOM 210 CD ARG A 13 4.513 -0.356 1.941 1.00 0.00 C ATOM 211 NE ARG A 13 3.071 -0.433 2.169 1.00 0.00 N ATOM 212 CZ ARG A 13 2.469 0.019 3.267 1.00 0.00 C ATOM 213 NH1 ARG A 13 3.178 0.575 4.241 1.00 0.00 N ATOM 214 NH2 ARG A 13 1.153 -0.083 3.388 1.00 0.00 N ATOM 0 H ARG A 13 9.041 -0.868 3.402 1.00 0.00 H new ATOM 0 HA ARG A 13 7.021 -0.291 1.349 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.083 -1.132 4.107 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.233 0.398 4.010 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.582 -2.140 2.480 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.656 -1.437 3.791 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.836 0.683 2.009 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.739 -0.695 0.930 1.00 0.00 H new ATOM 0 HE ARG A 13 2.492 -0.858 1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.191 0.658 4.151 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.710 0.919 5.080 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.603 -0.507 2.641 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.690 0.263 4.228 1.00 0.00 H new ATOM 228 N LYS A 14 7.201 2.168 1.295 1.00 0.00 N ATOM 229 CA LYS A 14 7.346 3.617 1.203 1.00 0.00 C ATOM 230 C LYS A 14 6.001 4.322 1.258 1.00 0.00 C ATOM 231 O LYS A 14 5.818 5.257 2.037 1.00 0.00 O ATOM 232 CB LYS A 14 8.075 3.992 -0.088 1.00 0.00 C ATOM 233 CG LYS A 14 9.538 3.584 -0.097 1.00 0.00 C ATOM 234 CD LYS A 14 9.696 2.081 -0.256 1.00 0.00 C ATOM 235 CE LYS A 14 11.080 1.717 -0.766 1.00 0.00 C ATOM 236 NZ LYS A 14 11.430 2.464 -2.006 1.00 0.00 N ATOM 0 H LYS A 14 6.724 1.740 0.502 1.00 0.00 H new ATOM 0 HA LYS A 14 7.932 3.944 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.569 3.522 -0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.005 5.070 -0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.054 4.093 -0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.012 3.905 0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 14 9.520 1.592 0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 14 8.942 1.706 -0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.819 1.930 0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.124 0.646 -0.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.123 1.918 -2.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 10.573 2.611 -2.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.839 3.386 -1.752 1.00 0.00 H new ATOM 250 N CYS A 15 5.070 3.876 0.420 1.00 0.00 N ATOM 251 CA CYS A 15 3.732 4.471 0.353 1.00 0.00 C ATOM 252 C CYS A 15 3.244 4.894 1.735 1.00 0.00 C ATOM 253 O CYS A 15 3.493 4.212 2.729 1.00 0.00 O ATOM 254 CB CYS A 15 2.737 3.501 -0.282 1.00 0.00 C ATOM 255 SG CYS A 15 2.337 2.056 0.746 1.00 0.00 S ATOM 0 H CYS A 15 5.215 3.101 -0.227 1.00 0.00 H new ATOM 0 HA CYS A 15 3.800 5.361 -0.272 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.816 4.039 -0.505 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.142 3.154 -1.233 1.00 0.00 H new ATOM 260 N CYS A 16 2.562 6.033 1.792 1.00 0.00 N ATOM 261 CA CYS A 16 2.053 6.558 3.053 1.00 0.00 C ATOM 262 C CYS A 16 1.344 5.473 3.864 1.00 0.00 C ATOM 263 O CYS A 16 0.668 4.609 3.308 1.00 0.00 O ATOM 264 CB CYS A 16 1.108 7.733 2.792 1.00 0.00 C ATOM 265 SG CYS A 16 1.945 9.325 2.463 1.00 0.00 S ATOM 0 H CYS A 16 2.349 6.610 0.979 1.00 0.00 H new ATOM 0 HA CYS A 16 2.902 6.908 3.639 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.473 7.489 1.941 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.453 7.854 3.655 1.00 0.00 H new ATOM 270 N GLU A 17 1.519 5.522 5.183 1.00 0.00 N ATOM 271 CA GLU A 17 0.912 4.542 6.082 1.00 0.00 C ATOM 272 C GLU A 17 -0.591 4.416 5.853 1.00 0.00 C ATOM 273 O GLU A 17 -1.192 3.392 6.176 1.00 0.00 O ATOM 274 CB GLU A 17 1.185 4.921 7.539 1.00 0.00 C ATOM 275 CG GLU A 17 0.541 6.233 7.955 1.00 0.00 C ATOM 276 CD GLU A 17 1.161 6.813 9.212 1.00 0.00 C ATOM 277 OE1 GLU A 17 2.397 6.989 9.237 1.00 0.00 O ATOM 278 OE2 GLU A 17 0.410 7.090 10.170 1.00 0.00 O ATOM 0 H GLU A 17 2.078 6.233 5.655 1.00 0.00 H new ATOM 0 HA GLU A 17 1.365 3.575 5.865 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.820 4.125 8.188 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.262 4.989 7.693 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.634 6.953 7.142 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.525 6.075 8.120 1.00 0.00 H new ATOM 285 N GLY A 18 -1.193 5.459 5.297 1.00 0.00 N ATOM 286 CA GLY A 18 -2.622 5.441 5.037 1.00 0.00 C ATOM 287 C GLY A 18 -3.051 4.261 4.183 1.00 0.00 C ATOM 288 O GLY A 18 -4.226 3.893 4.169 1.00 0.00 O ATOM 0 H GLY A 18 -0.718 6.318 5.021 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.159 5.411 5.985 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.907 6.367 4.538 1.00 0.00 H new ATOM 292 N LEU A 19 -2.101 3.671 3.462 1.00 0.00 N ATOM 293 CA LEU A 19 -2.392 2.533 2.597 1.00 0.00 C ATOM 294 C LEU A 19 -2.052 1.213 3.287 1.00 0.00 C ATOM 295 O LEU A 19 -1.055 1.112 4.002 1.00 0.00 O ATOM 296 CB LEU A 19 -1.612 2.665 1.287 1.00 0.00 C ATOM 297 CG LEU A 19 -1.783 4.007 0.574 1.00 0.00 C ATOM 298 CD1 LEU A 19 -0.658 4.233 -0.425 1.00 0.00 C ATOM 299 CD2 LEU A 19 -3.137 4.074 -0.116 1.00 0.00 C ATOM 0 H LEU A 19 -1.124 3.963 3.460 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.460 2.530 2.381 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.553 2.511 1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.924 1.868 0.612 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.738 4.800 1.320 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.799 5.193 -0.921 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.298 4.232 0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.666 3.436 -1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.242 5.036 -0.618 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.212 3.271 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.929 3.963 0.625 1.00 0.00 H new ATOM 311 N VAL A 20 -2.892 0.204 3.066 1.00 0.00 N ATOM 312 CA VAL A 20 -2.691 -1.114 3.663 1.00 0.00 C ATOM 313 C VAL A 20 -1.432 -1.781 3.116 1.00 0.00 C ATOM 314 O VAL A 20 -0.916 -1.385 2.071 1.00 0.00 O ATOM 315 CB VAL A 20 -3.901 -2.035 3.406 1.00 0.00 C ATOM 316 CG1 VAL A 20 -3.775 -3.324 4.201 1.00 0.00 C ATOM 317 CG2 VAL A 20 -5.201 -1.318 3.741 1.00 0.00 C ATOM 0 H VAL A 20 -3.721 0.275 2.476 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.579 -0.962 4.737 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.917 -2.291 2.347 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.639 -3.959 4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.866 -3.847 3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.729 -3.092 5.265 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.043 -1.984 3.553 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.196 -1.027 4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.297 -0.428 3.119 1.00 0.00 H new ATOM 327 N CYS A 21 -0.935 -2.790 3.828 1.00 0.00 N ATOM 328 CA CYS A 21 0.269 -3.500 3.407 1.00 0.00 C ATOM 329 C CYS A 21 -0.031 -4.954 3.055 1.00 0.00 C ATOM 330 O CYS A 21 -0.193 -5.798 3.936 1.00 0.00 O ATOM 331 CB CYS A 21 1.331 -3.446 4.506 1.00 0.00 C ATOM 332 SG CYS A 21 3.048 -3.443 3.889 1.00 0.00 S ATOM 0 H CYS A 21 -1.346 -3.133 4.696 1.00 0.00 H new ATOM 0 HA CYS A 21 0.646 -3.003 2.513 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.171 -2.550 5.106 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.196 -4.301 5.168 1.00 0.00 H new ATOM 337 N ARG A 22 -0.087 -5.239 1.759 1.00 0.00 N ATOM 338 CA ARG A 22 -0.346 -6.589 1.274 1.00 0.00 C ATOM 339 C ARG A 22 -0.113 -6.652 -0.229 1.00 0.00 C ATOM 340 O ARG A 22 -0.971 -6.249 -1.014 1.00 0.00 O ATOM 341 CB ARG A 22 -1.780 -7.009 1.603 1.00 0.00 C ATOM 342 CG ARG A 22 -1.910 -7.741 2.929 1.00 0.00 C ATOM 343 CD ARG A 22 -2.855 -8.926 2.824 1.00 0.00 C ATOM 344 NE ARG A 22 -2.889 -9.711 4.056 1.00 0.00 N ATOM 345 CZ ARG A 22 -3.340 -10.962 4.125 1.00 0.00 C ATOM 346 NH1 ARG A 22 -3.796 -11.572 3.038 1.00 0.00 N ATOM 347 NH2 ARG A 22 -3.335 -11.605 5.285 1.00 0.00 N ATOM 0 H ARG A 22 0.045 -4.547 1.021 1.00 0.00 H new ATOM 0 HA ARG A 22 0.338 -7.277 1.770 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.414 -6.123 1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -2.154 -7.650 0.805 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -0.928 -8.086 3.253 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -2.273 -7.052 3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.859 -8.570 2.594 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.546 -9.564 1.996 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.547 -9.275 4.913 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.802 -11.082 2.143 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.140 -12.530 3.097 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.986 -11.141 6.124 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.680 -12.563 5.338 1.00 0.00 H new ATOM 361 N LEU A 23 1.057 -7.148 -0.627 1.00 0.00 N ATOM 362 CA LEU A 23 1.409 -7.245 -2.041 1.00 0.00 C ATOM 363 C LEU A 23 1.626 -5.852 -2.629 1.00 0.00 C ATOM 364 O LEU A 23 2.720 -5.523 -3.091 1.00 0.00 O ATOM 365 CB LEU A 23 0.316 -7.981 -2.821 1.00 0.00 C ATOM 366 CG LEU A 23 -0.224 -9.242 -2.145 1.00 0.00 C ATOM 367 CD1 LEU A 23 -1.255 -9.922 -3.032 1.00 0.00 C ATOM 368 CD2 LEU A 23 0.913 -10.197 -1.815 1.00 0.00 C ATOM 0 H LEU A 23 1.777 -7.489 0.010 1.00 0.00 H new ATOM 0 HA LEU A 23 2.336 -7.813 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.513 -7.294 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.710 -8.252 -3.800 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.711 -8.953 -1.213 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.628 -10.817 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.083 -9.238 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.794 -10.199 -3.980 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.511 -11.089 -1.334 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.428 -10.480 -2.733 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.616 -9.707 -1.141 1.00 0.00 H new ATOM 380 N TRP A 24 0.578 -5.037 -2.595 1.00 0.00 N ATOM 381 CA TRP A 24 0.638 -3.674 -3.106 1.00 0.00 C ATOM 382 C TRP A 24 -0.235 -2.760 -2.250 1.00 0.00 C ATOM 383 O TRP A 24 -1.365 -3.112 -1.908 1.00 0.00 O ATOM 384 CB TRP A 24 0.184 -3.617 -4.570 1.00 0.00 C ATOM 385 CG TRP A 24 -0.760 -4.718 -4.954 1.00 0.00 C ATOM 386 CD1 TRP A 24 -2.062 -4.854 -4.566 1.00 0.00 C ATOM 387 CD2 TRP A 24 -0.474 -5.838 -5.799 1.00 0.00 C ATOM 388 NE1 TRP A 24 -2.603 -5.989 -5.120 1.00 0.00 N ATOM 389 CE2 TRP A 24 -1.647 -6.610 -5.881 1.00 0.00 C ATOM 390 CE3 TRP A 24 0.662 -6.262 -6.496 1.00 0.00 C ATOM 391 CZ2 TRP A 24 -1.718 -7.781 -6.632 1.00 0.00 C ATOM 392 CZ3 TRP A 24 0.590 -7.424 -7.241 1.00 0.00 C ATOM 393 CH2 TRP A 24 -0.592 -8.172 -7.303 1.00 0.00 C ATOM 0 H TRP A 24 -0.331 -5.301 -2.215 1.00 0.00 H new ATOM 0 HA TRP A 24 1.672 -3.333 -3.057 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -0.298 -2.657 -4.754 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.062 -3.662 -5.215 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.590 -4.169 -3.918 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -3.560 -6.316 -4.987 1.00 0.00 H new ATOM 0 HE3 TRP A 24 1.578 -5.692 -6.453 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.629 -8.359 -6.683 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.460 -7.761 -7.785 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -0.615 -9.076 -7.893 1.00 0.00 H new ATOM 404 N CYS A 25 0.296 -1.595 -1.894 1.00 0.00 N ATOM 405 CA CYS A 25 -0.433 -0.638 -1.062 1.00 0.00 C ATOM 406 C CYS A 25 -1.871 -0.455 -1.545 1.00 0.00 C ATOM 407 O CYS A 25 -2.114 0.098 -2.616 1.00 0.00 O ATOM 408 CB CYS A 25 0.295 0.709 -1.043 1.00 0.00 C ATOM 409 SG CYS A 25 2.061 0.583 -0.618 1.00 0.00 S ATOM 0 H CYS A 25 1.229 -1.288 -2.168 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.471 -1.039 -0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.199 1.177 -2.023 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.196 1.367 -0.326 1.00 0.00 H new ATOM 414 N LYS A 26 -2.822 -0.930 -0.744 1.00 0.00 N ATOM 415 CA LYS A 26 -4.235 -0.823 -1.087 1.00 0.00 C ATOM 416 C LYS A 26 -5.017 -0.127 0.023 1.00 0.00 C ATOM 417 O LYS A 26 -4.739 -0.319 1.207 1.00 0.00 O ATOM 418 CB LYS A 26 -4.825 -2.211 -1.344 1.00 0.00 C ATOM 419 CG LYS A 26 -4.246 -2.899 -2.571 1.00 0.00 C ATOM 420 CD LYS A 26 -5.327 -3.599 -3.380 1.00 0.00 C ATOM 421 CE LYS A 26 -5.936 -4.760 -2.611 1.00 0.00 C ATOM 422 NZ LYS A 26 -5.067 -5.968 -2.648 1.00 0.00 N ATOM 0 H LYS A 26 -2.638 -1.392 0.146 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.316 -0.224 -1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.651 -2.838 -0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -5.905 -2.122 -1.463 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -3.740 -2.164 -3.197 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.494 -3.625 -2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.108 -2.884 -3.640 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.904 -3.964 -4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.100 -4.463 -1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.912 -5.002 -3.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -5.578 -6.750 -3.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.203 -5.757 -3.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -4.812 -6.242 -1.678 1.00 0.00 H new ATOM 436 N ARG A 27 -6.000 0.678 -0.369 1.00 0.00 N ATOM 437 CA ARG A 27 -6.825 1.401 0.593 1.00 0.00 C ATOM 438 C ARG A 27 -7.937 0.508 1.135 1.00 0.00 C ATOM 439 O ARG A 27 -8.524 -0.284 0.399 1.00 0.00 O ATOM 440 CB ARG A 27 -7.431 2.647 -0.056 1.00 0.00 C ATOM 441 CG ARG A 27 -6.406 3.715 -0.397 1.00 0.00 C ATOM 442 CD ARG A 27 -5.941 3.601 -1.839 1.00 0.00 C ATOM 443 NE ARG A 27 -6.650 4.529 -2.718 1.00 0.00 N ATOM 444 CZ ARG A 27 -6.365 5.825 -2.813 1.00 0.00 C ATOM 445 NH1 ARG A 27 -5.386 6.352 -2.087 1.00 0.00 N ATOM 446 NH2 ARG A 27 -7.060 6.598 -3.638 1.00 0.00 N ATOM 0 H ARG A 27 -6.244 0.846 -1.345 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.187 1.705 1.423 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.955 2.354 -0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.175 3.072 0.618 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.838 4.702 -0.230 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.549 3.625 0.271 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.870 3.798 -1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -6.094 2.580 -2.190 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.408 4.161 -3.293 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -4.848 5.762 -1.452 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.172 7.346 -2.164 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -7.812 6.198 -4.199 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.842 7.592 -3.711 1.00 0.00 H new ATOM 460 N ILE A 28 -8.213 0.633 2.428 1.00 0.00 N ATOM 461 CA ILE A 28 -9.245 -0.163 3.072 1.00 0.00 C ATOM 462 C ILE A 28 -10.628 0.142 2.515 1.00 0.00 C ATOM 463 O ILE A 28 -11.265 1.122 2.905 1.00 0.00 O ATOM 464 CB ILE A 28 -9.241 0.057 4.605 1.00 0.00 C ATOM 465 CG1 ILE A 28 -8.150 -0.794 5.248 1.00 0.00 C ATOM 466 CG2 ILE A 28 -10.598 -0.277 5.218 1.00 0.00 C ATOM 467 CD1 ILE A 28 -8.093 -2.195 4.687 1.00 0.00 C ATOM 0 H ILE A 28 -7.733 1.282 3.051 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.015 -1.207 2.860 1.00 0.00 H new ATOM 0 HB ILE A 28 -9.038 1.111 4.796 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.185 -0.310 5.102 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.322 -0.845 6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.561 -0.112 6.295 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -11.363 0.363 4.779 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.840 -1.321 5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -7.298 -2.753 5.182 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.047 -2.694 4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.892 -2.150 3.617 1.00 0.00 H new ATOM 479 N ILE A 29 -11.096 -0.719 1.620 1.00 0.00 N ATOM 480 CA ILE A 29 -12.412 -0.556 1.031 1.00 0.00 C ATOM 481 C ILE A 29 -13.201 -1.860 1.084 1.00 0.00 C ATOM 482 O ILE A 29 -12.625 -2.939 1.227 1.00 0.00 O ATOM 483 CB ILE A 29 -12.341 -0.074 -0.434 1.00 0.00 C ATOM 484 CG1 ILE A 29 -11.270 1.007 -0.603 1.00 0.00 C ATOM 485 CG2 ILE A 29 -13.697 0.446 -0.885 1.00 0.00 C ATOM 486 CD1 ILE A 29 -11.372 2.129 0.406 1.00 0.00 C ATOM 0 H ILE A 29 -10.582 -1.535 1.289 1.00 0.00 H new ATOM 0 HA ILE A 29 -12.919 0.206 1.622 1.00 0.00 H new ATOM 0 HB ILE A 29 -12.066 -0.923 -1.060 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.286 0.546 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.344 1.425 -1.607 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -13.632 0.782 -1.920 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -14.436 -0.351 -0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.996 1.280 -0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.581 2.856 0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.342 2.617 0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.267 1.724 1.412 1.00 0.00 H new ATOM 498 N ASN A 30 -14.521 -1.753 0.968 1.00 0.00 N ATOM 499 CA ASN A 30 -15.388 -2.925 1.002 1.00 0.00 C ATOM 500 C ASN A 30 -15.252 -3.663 2.330 1.00 0.00 C ATOM 501 O ASN A 30 -14.552 -4.671 2.422 1.00 0.00 O ATOM 502 CB ASN A 30 -15.054 -3.867 -0.155 1.00 0.00 C ATOM 503 CG ASN A 30 -15.403 -3.271 -1.504 1.00 0.00 C ATOM 504 OD1 ASN A 30 -16.523 -3.421 -1.992 1.00 0.00 O ATOM 505 ND2 ASN A 30 -14.442 -2.589 -2.117 1.00 0.00 N ATOM 0 H ASN A 30 -15.013 -0.867 0.850 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.419 -2.586 0.899 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.991 -4.106 -0.130 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -15.594 -4.805 -0.024 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.619 -2.165 -3.028 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -13.527 -2.489 -1.677 1.00 0.00 H new ATOM 512 N MET A 31 -15.926 -3.155 3.357 1.00 0.00 N ATOM 513 CA MET A 31 -15.881 -3.767 4.680 1.00 0.00 C ATOM 514 C MET A 31 -16.841 -4.948 4.765 1.00 0.00 C ATOM 515 O MET A 31 -16.574 -5.869 5.566 1.00 0.00 O ATOM 516 CB MET A 31 -16.227 -2.734 5.754 1.00 0.00 C ATOM 517 CG MET A 31 -17.624 -2.153 5.611 1.00 0.00 C ATOM 518 SD MET A 31 -18.395 -1.801 7.203 1.00 0.00 S ATOM 519 CE MET A 31 -19.831 -0.866 6.684 1.00 0.00 C ATOM 520 OXT MET A 31 -17.853 -4.943 4.032 1.00 0.00 O ATOM 0 H MET A 31 -16.510 -2.321 3.298 1.00 0.00 H new ATOM 0 HA MET A 31 -14.868 -4.133 4.851 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.134 -3.198 6.736 1.00 0.00 H new ATOM 0 HB3 MET A 31 -15.499 -1.923 5.714 1.00 0.00 H new ATOM 0 HG2 MET A 31 -17.574 -1.235 5.025 1.00 0.00 H new ATOM 0 HG3 MET A 31 -18.249 -2.852 5.055 1.00 0.00 H new ATOM 0 HE1 MET A 31 -20.412 -0.575 7.559 1.00 0.00 H new ATOM 0 HE2 MET A 31 -19.509 0.027 6.148 1.00 0.00 H new ATOM 0 HE3 MET A 31 -20.447 -1.480 6.028 1.00 0.00 H new TER 530 MET A 31