USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=5 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+ -142:sc= 1.4 (180deg=0.302) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= -9.5! C(o=-9.5!,f=-12!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl -177:sc= -3.82 (180deg=-3.94!) USER MOD Single : A 8 THR OG1 : rot 80:sc= 0.812 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= -0.104 K(o=-0.1,f=-1.7) USER MOD Single : A 31 MET CE :methyl -155:sc= -0.0458 (180deg=-0.792) USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 8.389 9.966 1.868 1.00 0.00 N ATOM 2 CA TYR A 1 8.335 9.646 0.415 1.00 0.00 C ATOM 3 C TYR A 1 6.925 9.236 -0.003 1.00 0.00 C ATOM 4 O TYR A 1 6.185 10.032 -0.581 1.00 0.00 O ATOM 5 CB TYR A 1 9.335 8.522 0.100 1.00 0.00 C ATOM 6 CG TYR A 1 10.130 8.038 1.296 1.00 0.00 C ATOM 7 CD1 TYR A 1 9.584 7.133 2.198 1.00 0.00 C ATOM 8 CD2 TYR A 1 11.425 8.488 1.521 1.00 0.00 C ATOM 9 CE1 TYR A 1 10.307 6.690 3.290 1.00 0.00 C ATOM 10 CE2 TYR A 1 12.153 8.051 2.611 1.00 0.00 C ATOM 11 CZ TYR A 1 11.590 7.152 3.492 1.00 0.00 C ATOM 12 OH TYR A 1 12.313 6.714 4.578 1.00 0.00 O ATOM 0 H1 TYR A 1 9.024 10.775 2.022 1.00 0.00 H new ATOM 0 H2 TYR A 1 7.435 10.205 2.207 1.00 0.00 H new ATOM 0 H3 TYR A 1 8.746 9.142 2.392 1.00 0.00 H new ATOM 0 HA TYR A 1 8.604 10.538 -0.150 1.00 0.00 H new ATOM 0 HB2 TYR A 1 8.792 7.678 -0.326 1.00 0.00 H new ATOM 0 HB3 TYR A 1 10.029 8.873 -0.664 1.00 0.00 H new ATOM 0 HD1 TYR A 1 8.579 6.770 2.044 1.00 0.00 H new ATOM 0 HD2 TYR A 1 11.870 9.191 0.832 1.00 0.00 H new ATOM 0 HE1 TYR A 1 9.869 5.985 3.981 1.00 0.00 H new ATOM 0 HE2 TYR A 1 13.158 8.412 2.772 1.00 0.00 H new ATOM 0 HH TYR A 1 13.198 7.135 4.573 1.00 0.00 H new ATOM 24 N CYS A 2 6.555 7.994 0.300 1.00 0.00 N ATOM 25 CA CYS A 2 5.229 7.487 -0.041 1.00 0.00 C ATOM 26 C CYS A 2 4.995 7.504 -1.546 1.00 0.00 C ATOM 27 O CYS A 2 5.114 8.540 -2.198 1.00 0.00 O ATOM 28 CB CYS A 2 4.151 8.310 0.664 1.00 0.00 C ATOM 29 SG CYS A 2 2.440 7.840 0.240 1.00 0.00 S ATOM 0 H CYS A 2 7.153 7.322 0.780 1.00 0.00 H new ATOM 0 HA CYS A 2 5.172 6.452 0.297 1.00 0.00 H new ATOM 0 HB2 CYS A 2 4.284 8.213 1.741 1.00 0.00 H new ATOM 0 HB3 CYS A 2 4.297 9.362 0.418 1.00 0.00 H new ATOM 34 N GLN A 3 4.642 6.345 -2.083 1.00 0.00 N ATOM 35 CA GLN A 3 4.366 6.209 -3.505 1.00 0.00 C ATOM 36 C GLN A 3 2.884 6.437 -3.775 1.00 0.00 C ATOM 37 O GLN A 3 2.136 6.821 -2.874 1.00 0.00 O ATOM 38 CB GLN A 3 4.794 4.828 -4.009 1.00 0.00 C ATOM 39 CG GLN A 3 6.197 4.811 -4.591 1.00 0.00 C ATOM 40 CD GLN A 3 7.143 3.915 -3.815 1.00 0.00 C ATOM 41 OE1 GLN A 3 6.972 3.706 -2.614 1.00 0.00 O ATOM 42 NE2 GLN A 3 8.147 3.381 -4.499 1.00 0.00 N ATOM 0 H GLN A 3 4.540 5.481 -1.551 1.00 0.00 H new ATOM 0 HA GLN A 3 4.942 6.962 -4.043 1.00 0.00 H new ATOM 0 HB2 GLN A 3 4.741 4.116 -3.186 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.089 4.491 -4.769 1.00 0.00 H new ATOM 0 HG2 GLN A 3 6.152 4.474 -5.627 1.00 0.00 H new ATOM 0 HG3 GLN A 3 6.593 5.826 -4.603 1.00 0.00 H new ATOM 0 HE21 GLN A 3 8.250 3.582 -5.494 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.815 2.770 -4.030 1.00 0.00 H new ATOM 51 N LYS A 4 2.460 6.214 -5.012 1.00 0.00 N ATOM 52 CA LYS A 4 1.063 6.416 -5.375 1.00 0.00 C ATOM 53 C LYS A 4 0.277 5.109 -5.346 1.00 0.00 C ATOM 54 O LYS A 4 -0.068 4.553 -6.388 1.00 0.00 O ATOM 55 CB LYS A 4 0.962 7.069 -6.753 1.00 0.00 C ATOM 56 CG LYS A 4 0.925 8.590 -6.697 1.00 0.00 C ATOM 57 CD LYS A 4 2.061 9.148 -5.850 1.00 0.00 C ATOM 58 CE LYS A 4 1.634 9.365 -4.405 1.00 0.00 C ATOM 59 NZ LYS A 4 1.603 10.810 -4.047 1.00 0.00 N ATOM 0 H LYS A 4 3.057 5.896 -5.775 1.00 0.00 H new ATOM 0 HA LYS A 4 0.621 7.081 -4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.812 6.755 -7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 4 0.063 6.709 -7.253 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.992 8.994 -7.707 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.030 8.916 -6.286 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.908 8.462 -5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.401 10.093 -6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.646 8.931 -4.249 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.321 8.841 -3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.308 10.916 -3.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 2.551 11.219 -4.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.928 11.306 -4.664 1.00 0.00 H new ATOM 73 N TRP A 5 -0.019 4.641 -4.138 1.00 0.00 N ATOM 74 CA TRP A 5 -0.785 3.414 -3.949 1.00 0.00 C ATOM 75 C TRP A 5 -0.177 2.234 -4.701 1.00 0.00 C ATOM 76 O TRP A 5 0.762 2.390 -5.484 1.00 0.00 O ATOM 77 CB TRP A 5 -2.228 3.622 -4.410 1.00 0.00 C ATOM 78 CG TRP A 5 -3.180 3.935 -3.299 1.00 0.00 C ATOM 79 CD1 TRP A 5 -4.299 3.231 -2.963 1.00 0.00 C ATOM 80 CD2 TRP A 5 -3.105 5.034 -2.385 1.00 0.00 C ATOM 81 NE1 TRP A 5 -4.924 3.822 -1.893 1.00 0.00 N ATOM 82 CE2 TRP A 5 -4.210 4.932 -1.520 1.00 0.00 C ATOM 83 CE3 TRP A 5 -2.211 6.094 -2.212 1.00 0.00 C ATOM 84 CZ2 TRP A 5 -4.444 5.849 -0.499 1.00 0.00 C ATOM 85 CZ3 TRP A 5 -2.444 7.004 -1.198 1.00 0.00 C ATOM 86 CH2 TRP A 5 -3.553 6.876 -0.353 1.00 0.00 C ATOM 0 H TRP A 5 0.262 5.096 -3.270 1.00 0.00 H new ATOM 0 HA TRP A 5 -0.762 3.179 -2.885 1.00 0.00 H new ATOM 0 HB2 TRP A 5 -2.253 4.434 -5.137 1.00 0.00 H new ATOM 0 HB3 TRP A 5 -2.568 2.723 -4.924 1.00 0.00 H new ATOM 0 HD1 TRP A 5 -4.643 2.339 -3.465 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -5.780 3.490 -1.448 1.00 0.00 H new ATOM 0 HE3 TRP A 5 -1.353 6.200 -2.859 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -5.299 5.753 0.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -1.760 7.827 -1.055 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -3.708 7.603 0.430 1.00 0.00 H new ATOM 97 N MET A 6 -0.745 1.056 -4.450 1.00 0.00 N ATOM 98 CA MET A 6 -0.318 -0.198 -5.076 1.00 0.00 C ATOM 99 C MET A 6 1.175 -0.227 -5.392 1.00 0.00 C ATOM 100 O MET A 6 1.588 -0.764 -6.419 1.00 0.00 O ATOM 101 CB MET A 6 -1.128 -0.452 -6.348 1.00 0.00 C ATOM 102 CG MET A 6 -2.611 -0.149 -6.196 1.00 0.00 C ATOM 103 SD MET A 6 -3.609 -0.892 -7.501 1.00 0.00 S ATOM 104 CE MET A 6 -3.381 -2.634 -7.151 1.00 0.00 C ATOM 0 H MET A 6 -1.523 0.942 -3.800 1.00 0.00 H new ATOM 0 HA MET A 6 -0.504 -0.992 -4.352 1.00 0.00 H new ATOM 0 HB2 MET A 6 -0.722 0.158 -7.155 1.00 0.00 H new ATOM 0 HB3 MET A 6 -1.007 -1.494 -6.644 1.00 0.00 H new ATOM 0 HG2 MET A 6 -2.955 -0.514 -5.228 1.00 0.00 H new ATOM 0 HG3 MET A 6 -2.760 0.931 -6.200 1.00 0.00 H new ATOM 0 HE1 MET A 6 -3.895 -3.227 -7.907 1.00 0.00 H new ATOM 0 HE2 MET A 6 -2.317 -2.872 -7.165 1.00 0.00 H new ATOM 0 HE3 MET A 6 -3.792 -2.864 -6.168 1.00 0.00 H new ATOM 114 N TRP A 7 1.981 0.329 -4.498 1.00 0.00 N ATOM 115 CA TRP A 7 3.421 0.335 -4.684 1.00 0.00 C ATOM 116 C TRP A 7 4.030 -0.914 -4.043 1.00 0.00 C ATOM 117 O TRP A 7 3.576 -1.360 -2.989 1.00 0.00 O ATOM 118 CB TRP A 7 4.026 1.614 -4.084 1.00 0.00 C ATOM 119 CG TRP A 7 5.304 1.384 -3.341 1.00 0.00 C ATOM 120 CD1 TRP A 7 5.498 1.492 -1.997 1.00 0.00 C ATOM 121 CD2 TRP A 7 6.557 0.989 -3.900 1.00 0.00 C ATOM 122 NE1 TRP A 7 6.803 1.192 -1.686 1.00 0.00 N ATOM 123 CE2 TRP A 7 7.472 0.876 -2.839 1.00 0.00 C ATOM 124 CE3 TRP A 7 6.992 0.720 -5.198 1.00 0.00 C ATOM 125 CZ2 TRP A 7 8.798 0.504 -3.037 1.00 0.00 C ATOM 126 CZ3 TRP A 7 8.307 0.349 -5.396 1.00 0.00 C ATOM 127 CH2 TRP A 7 9.196 0.242 -4.320 1.00 0.00 C ATOM 0 H TRP A 7 1.661 0.780 -3.641 1.00 0.00 H new ATOM 0 HA TRP A 7 3.649 0.321 -5.750 1.00 0.00 H new ATOM 0 HB2 TRP A 7 4.206 2.331 -4.885 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.300 2.067 -3.409 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.739 1.772 -1.282 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.207 1.203 -0.750 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.312 0.801 -6.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.487 0.425 -2.209 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 8.655 0.138 -6.396 1.00 0.00 H new ATOM 0 HH2 TRP A 7 10.218 -0.054 -4.506 1.00 0.00 H new ATOM 138 N THR A 8 5.047 -1.480 -4.692 1.00 0.00 N ATOM 139 CA THR A 8 5.712 -2.685 -4.195 1.00 0.00 C ATOM 140 C THR A 8 5.894 -2.654 -2.678 1.00 0.00 C ATOM 141 O THR A 8 6.544 -1.758 -2.137 1.00 0.00 O ATOM 142 CB THR A 8 7.068 -2.855 -4.883 1.00 0.00 C ATOM 143 OG1 THR A 8 7.167 -2.010 -6.015 1.00 0.00 O ATOM 144 CG2 THR A 8 7.323 -4.269 -5.349 1.00 0.00 C ATOM 0 H THR A 8 5.430 -1.122 -5.567 1.00 0.00 H new ATOM 0 HA THR A 8 5.072 -3.536 -4.431 1.00 0.00 H new ATOM 0 HB THR A 8 7.810 -2.593 -4.129 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.386 -1.100 -5.726 1.00 0.00 H new ATOM 0 HG21 THR A 8 8.300 -4.323 -5.828 1.00 0.00 H new ATOM 0 HG22 THR A 8 7.300 -4.944 -4.493 1.00 0.00 H new ATOM 0 HG23 THR A 8 6.552 -4.562 -6.062 1.00 0.00 H new ATOM 152 N CYS A 9 5.314 -3.642 -1.997 1.00 0.00 N ATOM 153 CA CYS A 9 5.410 -3.731 -0.544 1.00 0.00 C ATOM 154 C CYS A 9 6.463 -4.758 -0.135 1.00 0.00 C ATOM 155 O CYS A 9 6.754 -5.696 -0.877 1.00 0.00 O ATOM 156 CB CYS A 9 4.038 -4.087 0.058 1.00 0.00 C ATOM 157 SG CYS A 9 4.094 -5.011 1.636 1.00 0.00 S ATOM 0 H CYS A 9 4.773 -4.391 -2.430 1.00 0.00 H new ATOM 0 HA CYS A 9 5.718 -2.760 -0.156 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.478 -3.165 0.215 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.482 -4.677 -0.670 1.00 0.00 H new ATOM 162 N ASP A 10 7.029 -4.570 1.053 1.00 0.00 N ATOM 163 CA ASP A 10 8.049 -5.472 1.570 1.00 0.00 C ATOM 164 C ASP A 10 8.317 -5.183 3.045 1.00 0.00 C ATOM 165 O ASP A 10 7.488 -4.578 3.725 1.00 0.00 O ATOM 166 CB ASP A 10 9.339 -5.333 0.757 1.00 0.00 C ATOM 167 CG ASP A 10 10.021 -6.666 0.522 1.00 0.00 C ATOM 168 OD1 ASP A 10 10.552 -7.240 1.496 1.00 0.00 O ATOM 169 OD2 ASP A 10 10.027 -7.135 -0.635 1.00 0.00 O ATOM 0 H ASP A 10 6.796 -3.797 1.677 1.00 0.00 H new ATOM 0 HA ASP A 10 7.687 -6.496 1.479 1.00 0.00 H new ATOM 0 HB2 ASP A 10 9.112 -4.870 -0.203 1.00 0.00 H new ATOM 0 HB3 ASP A 10 10.024 -4.665 1.279 1.00 0.00 H new ATOM 174 N GLU A 11 9.480 -5.608 3.537 1.00 0.00 N ATOM 175 CA GLU A 11 9.844 -5.381 4.933 1.00 0.00 C ATOM 176 C GLU A 11 9.646 -3.915 5.314 1.00 0.00 C ATOM 177 O GLU A 11 9.403 -3.592 6.477 1.00 0.00 O ATOM 178 CB GLU A 11 11.299 -5.791 5.176 1.00 0.00 C ATOM 179 CG GLU A 11 11.650 -7.153 4.599 1.00 0.00 C ATOM 180 CD GLU A 11 12.944 -7.708 5.162 1.00 0.00 C ATOM 181 OE1 GLU A 11 13.753 -6.912 5.684 1.00 0.00 O ATOM 182 OE2 GLU A 11 13.148 -8.937 5.083 1.00 0.00 O ATOM 0 H GLU A 11 10.182 -6.109 2.992 1.00 0.00 H new ATOM 0 HA GLU A 11 9.193 -5.993 5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.957 -5.040 4.740 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.491 -5.799 6.249 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.839 -7.851 4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 11 11.734 -7.074 3.515 1.00 0.00 H new ATOM 189 N GLU A 12 9.748 -3.035 4.323 1.00 0.00 N ATOM 190 CA GLU A 12 9.576 -1.605 4.544 1.00 0.00 C ATOM 191 C GLU A 12 9.353 -0.879 3.221 1.00 0.00 C ATOM 192 O GLU A 12 10.260 -0.788 2.393 1.00 0.00 O ATOM 193 CB GLU A 12 10.799 -1.027 5.257 1.00 0.00 C ATOM 194 CG GLU A 12 12.119 -1.398 4.601 1.00 0.00 C ATOM 195 CD GLU A 12 13.102 -0.243 4.575 1.00 0.00 C ATOM 196 OE1 GLU A 12 12.651 0.920 4.514 1.00 0.00 O ATOM 197 OE2 GLU A 12 14.323 -0.502 4.615 1.00 0.00 O ATOM 0 H GLU A 12 9.950 -3.289 3.356 1.00 0.00 H new ATOM 0 HA GLU A 12 8.698 -1.460 5.173 1.00 0.00 H new ATOM 0 HB2 GLU A 12 10.711 0.059 5.288 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.806 -1.376 6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 12 12.564 -2.237 5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 12 11.932 -1.734 3.581 1.00 0.00 H new ATOM 204 N ARG A 13 8.142 -0.364 3.028 1.00 0.00 N ATOM 205 CA ARG A 13 7.808 0.356 1.801 1.00 0.00 C ATOM 206 C ARG A 13 7.550 1.832 2.086 1.00 0.00 C ATOM 207 O ARG A 13 7.000 2.191 3.127 1.00 0.00 O ATOM 208 CB ARG A 13 6.592 -0.265 1.092 1.00 0.00 C ATOM 209 CG ARG A 13 5.639 -1.039 1.994 1.00 0.00 C ATOM 210 CD ARG A 13 4.319 -0.306 2.178 1.00 0.00 C ATOM 211 NE ARG A 13 3.263 -0.843 1.317 1.00 0.00 N ATOM 212 CZ ARG A 13 2.024 -1.099 1.731 1.00 0.00 C ATOM 213 NH1 ARG A 13 1.654 -0.819 2.977 1.00 0.00 N ATOM 214 NH2 ARG A 13 1.147 -1.628 0.893 1.00 0.00 N ATOM 0 H ARG A 13 7.379 -0.431 3.701 1.00 0.00 H new ATOM 0 HA ARG A 13 8.667 0.272 1.136 1.00 0.00 H new ATOM 0 HB2 ARG A 13 6.034 0.531 0.599 1.00 0.00 H new ATOM 0 HB3 ARG A 13 6.951 -0.934 0.310 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.452 -2.024 1.566 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.106 -1.197 2.966 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.008 -0.378 3.220 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.460 0.753 1.960 1.00 0.00 H new ATOM 0 HE ARG A 13 3.491 -1.032 0.341 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.322 -0.404 3.626 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.702 -1.019 3.284 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.421 -1.838 -0.067 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.197 -1.826 1.207 1.00 0.00 H new ATOM 228 N LYS A 14 7.956 2.681 1.148 1.00 0.00 N ATOM 229 CA LYS A 14 7.780 4.124 1.280 1.00 0.00 C ATOM 230 C LYS A 14 6.305 4.496 1.370 1.00 0.00 C ATOM 231 O LYS A 14 5.953 5.518 1.959 1.00 0.00 O ATOM 232 CB LYS A 14 8.428 4.841 0.095 1.00 0.00 C ATOM 233 CG LYS A 14 9.948 4.808 0.122 1.00 0.00 C ATOM 234 CD LYS A 14 10.482 3.451 -0.303 1.00 0.00 C ATOM 235 CE LYS A 14 11.807 3.577 -1.038 1.00 0.00 C ATOM 236 NZ LYS A 14 12.684 2.396 -0.808 1.00 0.00 N ATOM 0 H LYS A 14 8.412 2.393 0.282 1.00 0.00 H new ATOM 0 HA LYS A 14 8.265 4.440 2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.079 4.384 -0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.095 5.879 0.083 1.00 0.00 H new ATOM 0 HG2 LYS A 14 10.342 5.579 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 14 10.300 5.041 1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 14 10.611 2.819 0.575 1.00 0.00 H new ATOM 0 HD3 LYS A 14 9.754 2.958 -0.947 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.620 3.688 -2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.321 4.480 -0.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.577 2.521 -1.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.883 2.304 0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.205 1.537 -1.146 1.00 0.00 H new ATOM 250 N CYS A 15 5.455 3.660 0.777 1.00 0.00 N ATOM 251 CA CYS A 15 4.004 3.881 0.767 1.00 0.00 C ATOM 252 C CYS A 15 3.515 4.552 2.047 1.00 0.00 C ATOM 253 O CYS A 15 4.098 4.378 3.117 1.00 0.00 O ATOM 254 CB CYS A 15 3.270 2.555 0.570 1.00 0.00 C ATOM 255 SG CYS A 15 2.192 2.509 -0.895 1.00 0.00 S ATOM 0 H CYS A 15 5.748 2.812 0.291 1.00 0.00 H new ATOM 0 HA CYS A 15 3.786 4.552 -0.064 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.005 1.754 0.491 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.669 2.350 1.456 1.00 0.00 H new ATOM 260 N CYS A 16 2.434 5.315 1.925 1.00 0.00 N ATOM 261 CA CYS A 16 1.858 6.011 3.068 1.00 0.00 C ATOM 262 C CYS A 16 1.320 5.017 4.093 1.00 0.00 C ATOM 263 O CYS A 16 1.221 3.820 3.820 1.00 0.00 O ATOM 264 CB CYS A 16 0.745 6.953 2.606 1.00 0.00 C ATOM 265 SG CYS A 16 1.348 8.487 1.826 1.00 0.00 S ATOM 0 H CYS A 16 1.940 5.467 1.046 1.00 0.00 H new ATOM 0 HA CYS A 16 2.643 6.599 3.543 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.106 6.425 1.898 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.124 7.213 3.463 1.00 0.00 H new ATOM 270 N GLU A 17 0.984 5.517 5.279 1.00 0.00 N ATOM 271 CA GLU A 17 0.468 4.670 6.350 1.00 0.00 C ATOM 272 C GLU A 17 -1.004 4.315 6.136 1.00 0.00 C ATOM 273 O GLU A 17 -1.588 3.572 6.925 1.00 0.00 O ATOM 274 CB GLU A 17 0.640 5.366 7.701 1.00 0.00 C ATOM 275 CG GLU A 17 2.007 6.002 7.889 1.00 0.00 C ATOM 276 CD GLU A 17 2.533 5.849 9.303 1.00 0.00 C ATOM 277 OE1 GLU A 17 1.920 6.420 10.228 1.00 0.00 O ATOM 278 OE2 GLU A 17 3.557 5.157 9.484 1.00 0.00 O ATOM 0 H GLU A 17 1.060 6.505 5.523 1.00 0.00 H new ATOM 0 HA GLU A 17 1.041 3.743 6.339 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.126 6.134 7.804 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.473 4.641 8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.713 5.550 7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.948 7.062 7.640 1.00 0.00 H new ATOM 285 N GLY A 18 -1.602 4.845 5.072 1.00 0.00 N ATOM 286 CA GLY A 18 -3.000 4.562 4.795 1.00 0.00 C ATOM 287 C GLY A 18 -3.182 3.424 3.809 1.00 0.00 C ATOM 288 O GLY A 18 -4.170 3.384 3.075 1.00 0.00 O ATOM 0 H GLY A 18 -1.146 5.462 4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -3.508 4.315 5.727 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.477 5.459 4.400 1.00 0.00 H new ATOM 292 N LEU A 19 -2.226 2.501 3.785 1.00 0.00 N ATOM 293 CA LEU A 19 -2.287 1.363 2.876 1.00 0.00 C ATOM 294 C LEU A 19 -1.748 0.095 3.534 1.00 0.00 C ATOM 295 O LEU A 19 -0.711 0.118 4.194 1.00 0.00 O ATOM 296 CB LEU A 19 -1.491 1.667 1.607 1.00 0.00 C ATOM 297 CG LEU A 19 -1.999 2.862 0.800 1.00 0.00 C ATOM 298 CD1 LEU A 19 -0.893 3.434 -0.073 1.00 0.00 C ATOM 299 CD2 LEU A 19 -3.193 2.456 -0.048 1.00 0.00 C ATOM 0 H LEU A 19 -1.401 2.519 4.384 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.333 1.193 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.452 1.848 1.882 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.503 0.784 0.968 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.315 3.638 1.497 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.278 4.283 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.066 3.762 0.556 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.542 2.668 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.544 3.317 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.899 1.662 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.994 2.097 0.599 1.00 0.00 H new ATOM 311 N VAL A 20 -2.458 -1.015 3.337 1.00 0.00 N ATOM 312 CA VAL A 20 -2.047 -2.298 3.899 1.00 0.00 C ATOM 313 C VAL A 20 -0.907 -2.897 3.084 1.00 0.00 C ATOM 314 O VAL A 20 -0.922 -2.848 1.855 1.00 0.00 O ATOM 315 CB VAL A 20 -3.218 -3.297 3.942 1.00 0.00 C ATOM 316 CG1 VAL A 20 -2.809 -4.572 4.665 1.00 0.00 C ATOM 317 CG2 VAL A 20 -4.435 -2.669 4.604 1.00 0.00 C ATOM 0 H VAL A 20 -3.320 -1.050 2.793 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.711 -2.112 4.919 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.484 -3.557 2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.650 -5.265 4.685 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.971 -5.033 4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.513 -4.332 5.686 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.251 -3.391 4.624 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.184 -2.376 5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.743 -1.789 4.039 1.00 0.00 H new ATOM 327 N CYS A 21 0.088 -3.452 3.771 1.00 0.00 N ATOM 328 CA CYS A 21 1.240 -4.042 3.099 1.00 0.00 C ATOM 329 C CYS A 21 0.989 -5.495 2.709 1.00 0.00 C ATOM 330 O CYS A 21 0.988 -6.387 3.556 1.00 0.00 O ATOM 331 CB CYS A 21 2.483 -3.949 3.983 1.00 0.00 C ATOM 332 SG CYS A 21 4.011 -3.571 3.066 1.00 0.00 S ATOM 0 H CYS A 21 0.119 -3.505 4.789 1.00 0.00 H new ATOM 0 HA CYS A 21 1.405 -3.473 2.184 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.324 -3.179 4.738 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.612 -4.893 4.513 1.00 0.00 H new ATOM 337 N ARG A 22 0.799 -5.717 1.412 1.00 0.00 N ATOM 338 CA ARG A 22 0.567 -7.048 0.874 1.00 0.00 C ATOM 339 C ARG A 22 0.631 -7.008 -0.647 1.00 0.00 C ATOM 340 O ARG A 22 -0.334 -6.623 -1.305 1.00 0.00 O ATOM 341 CB ARG A 22 -0.795 -7.574 1.325 1.00 0.00 C ATOM 342 CG ARG A 22 -0.740 -8.334 2.638 1.00 0.00 C ATOM 343 CD ARG A 22 -1.628 -7.696 3.694 1.00 0.00 C ATOM 344 NE ARG A 22 -2.265 -8.696 4.549 1.00 0.00 N ATOM 345 CZ ARG A 22 -3.157 -9.583 4.115 1.00 0.00 C ATOM 346 NH1 ARG A 22 -3.521 -9.599 2.839 1.00 0.00 N ATOM 347 NH2 ARG A 22 -3.688 -10.457 4.959 1.00 0.00 N ATOM 0 H ARG A 22 0.802 -4.979 0.708 1.00 0.00 H new ATOM 0 HA ARG A 22 1.341 -7.718 1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.485 -6.736 1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.199 -8.227 0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -1.052 -9.366 2.475 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.288 -8.365 2.998 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.033 -7.020 4.308 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.395 -7.093 3.207 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.011 -8.715 5.537 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.117 -8.929 2.185 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.205 -10.281 2.512 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.413 -10.450 5.941 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.372 -11.137 4.626 1.00 0.00 H new ATOM 361 N LEU A 23 1.778 -7.398 -1.200 1.00 0.00 N ATOM 362 CA LEU A 23 1.975 -7.391 -2.648 1.00 0.00 C ATOM 363 C LEU A 23 2.028 -5.958 -3.178 1.00 0.00 C ATOM 364 O LEU A 23 3.033 -5.534 -3.747 1.00 0.00 O ATOM 365 CB LEU A 23 0.857 -8.170 -3.348 1.00 0.00 C ATOM 366 CG LEU A 23 1.310 -9.032 -4.529 1.00 0.00 C ATOM 367 CD1 LEU A 23 2.094 -8.198 -5.529 1.00 0.00 C ATOM 368 CD2 LEU A 23 2.144 -10.206 -4.040 1.00 0.00 C ATOM 0 H LEU A 23 2.585 -7.723 -0.667 1.00 0.00 H new ATOM 0 HA LEU A 23 2.927 -7.877 -2.863 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.369 -8.812 -2.615 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.107 -7.462 -3.701 1.00 0.00 H new ATOM 0 HG LEU A 23 0.425 -9.424 -5.030 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.408 -8.828 -6.361 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.464 -7.390 -5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.973 -7.777 -5.041 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.458 -10.809 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.024 -9.834 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.549 -10.818 -3.362 1.00 0.00 H new ATOM 380 N TRP A 24 0.940 -5.220 -2.980 1.00 0.00 N ATOM 381 CA TRP A 24 0.857 -3.835 -3.426 1.00 0.00 C ATOM 382 C TRP A 24 -0.088 -3.046 -2.524 1.00 0.00 C ATOM 383 O TRP A 24 -1.070 -3.588 -2.016 1.00 0.00 O ATOM 384 CB TRP A 24 0.374 -3.770 -4.877 1.00 0.00 C ATOM 385 CG TRP A 24 -0.965 -4.408 -5.088 1.00 0.00 C ATOM 386 CD1 TRP A 24 -2.162 -3.989 -4.581 1.00 0.00 C ATOM 387 CD2 TRP A 24 -1.244 -5.580 -5.861 1.00 0.00 C ATOM 388 NE1 TRP A 24 -3.168 -4.829 -4.993 1.00 0.00 N ATOM 389 CE2 TRP A 24 -2.630 -5.814 -5.780 1.00 0.00 C ATOM 390 CE3 TRP A 24 -0.457 -6.455 -6.616 1.00 0.00 C ATOM 391 CZ2 TRP A 24 -3.243 -6.884 -6.424 1.00 0.00 C ATOM 392 CZ3 TRP A 24 -1.068 -7.518 -7.254 1.00 0.00 C ATOM 393 CH2 TRP A 24 -2.449 -7.725 -7.155 1.00 0.00 C ATOM 0 H TRP A 24 0.101 -5.561 -2.511 1.00 0.00 H new ATOM 0 HA TRP A 24 1.851 -3.392 -3.368 1.00 0.00 H new ATOM 0 HB2 TRP A 24 0.324 -2.727 -5.189 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.107 -4.260 -5.518 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -2.298 -3.124 -3.949 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -4.155 -4.735 -4.752 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.609 -6.303 -6.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -4.308 -7.045 -6.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -0.470 -8.201 -7.839 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -2.896 -8.565 -7.666 1.00 0.00 H new ATOM 404 N CYS A 25 0.214 -1.769 -2.323 1.00 0.00 N ATOM 405 CA CYS A 25 -0.613 -0.916 -1.474 1.00 0.00 C ATOM 406 C CYS A 25 -2.050 -0.862 -1.982 1.00 0.00 C ATOM 407 O CYS A 25 -2.313 -0.399 -3.091 1.00 0.00 O ATOM 408 CB CYS A 25 -0.023 0.496 -1.398 1.00 0.00 C ATOM 409 SG CYS A 25 1.776 0.536 -1.109 1.00 0.00 S ATOM 0 H CYS A 25 1.022 -1.301 -2.734 1.00 0.00 H new ATOM 0 HA CYS A 25 -0.624 -1.347 -0.473 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.243 1.020 -2.328 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.521 1.044 -0.598 1.00 0.00 H new ATOM 414 N LYS A 26 -2.977 -1.342 -1.159 1.00 0.00 N ATOM 415 CA LYS A 26 -4.391 -1.353 -1.521 1.00 0.00 C ATOM 416 C LYS A 26 -5.189 -0.410 -0.627 1.00 0.00 C ATOM 417 O LYS A 26 -4.886 -0.254 0.555 1.00 0.00 O ATOM 418 CB LYS A 26 -4.955 -2.771 -1.417 1.00 0.00 C ATOM 419 CG LYS A 26 -4.279 -3.765 -2.347 1.00 0.00 C ATOM 420 CD LYS A 26 -5.042 -5.078 -2.408 1.00 0.00 C ATOM 421 CE LYS A 26 -5.124 -5.739 -1.042 1.00 0.00 C ATOM 422 NZ LYS A 26 -5.991 -6.950 -1.062 1.00 0.00 N ATOM 0 H LYS A 26 -2.775 -1.729 -0.237 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.479 -1.009 -2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -4.852 -3.120 -0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.022 -2.746 -1.639 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.207 -3.338 -3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.261 -3.950 -2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -6.048 -4.898 -2.787 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.552 -5.752 -3.111 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -4.123 -6.015 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.514 -5.025 -0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.021 -7.371 -0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.953 -6.683 -1.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.605 -7.642 -1.736 1.00 0.00 H new ATOM 436 N ARG A 27 -6.213 0.216 -1.200 1.00 0.00 N ATOM 437 CA ARG A 27 -7.057 1.144 -0.455 1.00 0.00 C ATOM 438 C ARG A 27 -7.705 0.451 0.740 1.00 0.00 C ATOM 439 O ARG A 27 -8.297 -0.618 0.603 1.00 0.00 O ATOM 440 CB ARG A 27 -8.138 1.729 -1.367 1.00 0.00 C ATOM 441 CG ARG A 27 -7.619 2.153 -2.733 1.00 0.00 C ATOM 442 CD ARG A 27 -8.090 1.211 -3.828 1.00 0.00 C ATOM 443 NE ARG A 27 -9.540 1.259 -4.006 1.00 0.00 N ATOM 444 CZ ARG A 27 -10.243 0.314 -4.625 1.00 0.00 C ATOM 445 NH1 ARG A 27 -9.635 -0.753 -5.129 1.00 0.00 N ATOM 446 NH2 ARG A 27 -11.558 0.436 -4.743 1.00 0.00 N ATOM 0 H ARG A 27 -6.478 0.097 -2.178 1.00 0.00 H new ATOM 0 HA ARG A 27 -6.426 1.953 -0.086 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -8.928 0.990 -1.501 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.589 2.591 -0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.957 3.166 -2.953 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.529 2.177 -2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.601 1.473 -4.766 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.788 0.192 -3.584 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.043 2.065 -3.634 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.623 -0.852 -5.043 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -10.179 -1.474 -5.602 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -12.031 1.254 -4.359 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -12.097 -0.288 -5.218 1.00 0.00 H new ATOM 460 N ILE A 28 -7.583 1.069 1.913 1.00 0.00 N ATOM 461 CA ILE A 28 -8.149 0.518 3.139 1.00 0.00 C ATOM 462 C ILE A 28 -9.576 0.020 2.926 1.00 0.00 C ATOM 463 O ILE A 28 -10.271 0.459 2.010 1.00 0.00 O ATOM 464 CB ILE A 28 -8.114 1.564 4.283 1.00 0.00 C ATOM 465 CG1 ILE A 28 -6.716 1.616 4.895 1.00 0.00 C ATOM 466 CG2 ILE A 28 -9.147 1.254 5.361 1.00 0.00 C ATOM 467 CD1 ILE A 28 -6.177 0.251 5.261 1.00 0.00 C ATOM 0 H ILE A 28 -7.095 1.956 2.039 1.00 0.00 H new ATOM 0 HA ILE A 28 -7.533 -0.335 3.424 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.362 2.536 3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.035 2.092 4.190 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -6.740 2.242 5.787 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -9.092 2.009 6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.144 1.259 4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.944 0.272 5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.181 0.356 5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -6.839 -0.218 5.989 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.123 -0.370 4.367 1.00 0.00 H new ATOM 479 N ILE A 29 -9.996 -0.907 3.780 1.00 0.00 N ATOM 480 CA ILE A 29 -11.321 -1.482 3.701 1.00 0.00 C ATOM 481 C ILE A 29 -12.399 -0.404 3.627 1.00 0.00 C ATOM 482 O ILE A 29 -12.253 0.675 4.201 1.00 0.00 O ATOM 483 CB ILE A 29 -11.593 -2.391 4.910 1.00 0.00 C ATOM 484 CG1 ILE A 29 -11.312 -1.647 6.218 1.00 0.00 C ATOM 485 CG2 ILE A 29 -10.753 -3.656 4.823 1.00 0.00 C ATOM 486 CD1 ILE A 29 -12.393 -0.659 6.597 1.00 0.00 C ATOM 0 H ILE A 29 -9.425 -1.275 4.541 1.00 0.00 H new ATOM 0 HA ILE A 29 -11.359 -2.073 2.786 1.00 0.00 H new ATOM 0 HB ILE A 29 -12.645 -2.674 4.898 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.197 -2.374 7.022 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.363 -1.118 6.129 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.958 -4.289 5.687 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.003 -4.196 3.910 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.696 -3.391 4.810 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.126 -0.170 7.534 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -12.493 0.090 5.812 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -13.340 -1.185 6.719 1.00 0.00 H new ATOM 498 N ASN A 30 -13.481 -0.704 2.916 1.00 0.00 N ATOM 499 CA ASN A 30 -14.583 0.239 2.767 1.00 0.00 C ATOM 500 C ASN A 30 -15.736 -0.390 1.990 1.00 0.00 C ATOM 501 O ASN A 30 -16.396 0.275 1.191 1.00 0.00 O ATOM 502 CB ASN A 30 -14.104 1.506 2.055 1.00 0.00 C ATOM 503 CG ASN A 30 -13.585 1.224 0.659 1.00 0.00 C ATOM 504 OD1 ASN A 30 -12.641 0.455 0.479 1.00 0.00 O ATOM 505 ND2 ASN A 30 -14.201 1.848 -0.338 1.00 0.00 N ATOM 0 H ASN A 30 -13.618 -1.593 2.434 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.941 0.503 3.762 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.926 2.219 1.997 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.316 1.975 2.645 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.896 1.698 -1.300 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -14.980 2.477 -0.142 1.00 0.00 H new ATOM 512 N MET A 31 -15.973 -1.675 2.231 1.00 0.00 N ATOM 513 CA MET A 31 -17.047 -2.394 1.554 1.00 0.00 C ATOM 514 C MET A 31 -18.402 -2.038 2.156 1.00 0.00 C ATOM 515 O MET A 31 -18.444 -1.153 3.036 1.00 0.00 O ATOM 516 CB MET A 31 -16.814 -3.903 1.646 1.00 0.00 C ATOM 517 CG MET A 31 -15.937 -4.453 0.535 1.00 0.00 C ATOM 518 SD MET A 31 -16.409 -6.120 0.037 1.00 0.00 S ATOM 519 CE MET A 31 -16.639 -6.898 1.633 1.00 0.00 C ATOM 520 OXT MET A 31 -19.411 -2.647 1.741 1.00 0.00 O ATOM 0 H MET A 31 -15.437 -2.240 2.889 1.00 0.00 H new ATOM 0 HA MET A 31 -17.047 -2.097 0.505 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.355 -4.133 2.607 1.00 0.00 H new ATOM 0 HB3 MET A 31 -17.777 -4.413 1.623 1.00 0.00 H new ATOM 0 HG2 MET A 31 -15.994 -3.790 -0.329 1.00 0.00 H new ATOM 0 HG3 MET A 31 -14.898 -4.457 0.866 1.00 0.00 H new ATOM 0 HE1 MET A 31 -16.493 -7.974 1.538 1.00 0.00 H new ATOM 0 HE2 MET A 31 -15.915 -6.495 2.342 1.00 0.00 H new ATOM 0 HE3 MET A 31 -17.649 -6.699 1.993 1.00 0.00 H new TER 530 MET A 31