USER MOD reduce.3.24.130724 H: found=0, std=0, add=245, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 242 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.842 K(o=-0.84,f=0) USER MOD Single : A 5 GLN : amide:sc= -0.892 X(o=-0.89,f=-0.57) USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= -0.0384 (180deg=-0.212) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -2.5! K(o=-2.5!,f=-0.0028) USER MOD Single : A 14 ASN : amide:sc= -0.104 X(o=-0.1,f=-0.29) USER MOD Single : A 16 ASN : amide:sc= -0.873 K(o=-0.87,f=-0.048) USER MOD Single : A 17 LYS NZ :NH3+ -169:sc=-0.000124 (180deg=-0.162) USER MOD Single : A 22 GLN : amide:sc= -0.0815 K(o=-0.081,f=-0.82) USER MOD Single : A 24 TYR OH : rot 96:sc= 0.21 USER MOD Single : A 25 GLN : amide:sc= 0.111 X(o=0.11,f=-0.15) USER MOD Single : A 26 MET CE :methyl 153:sc= -0.277 (180deg=-1.13) USER MOD Single : A 28 SER OG : rot -87:sc= -1.64! USER MOD Single : A 33 SER OG : rot 180:sc= 0.0191 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.467 3.669 2.057 1.00 0.00 N ATOM 2 CA ALA A 1 -17.260 4.394 0.785 1.00 0.00 C ATOM 3 C ALA A 1 -16.141 5.416 0.928 1.00 0.00 C ATOM 4 O ALA A 1 -16.332 6.491 1.505 1.00 0.00 O ATOM 5 CB ALA A 1 -18.548 5.074 0.343 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.234 2.976 1.941 1.00 0.00 H new ATOM 0 H2 ALA A 1 -16.591 3.175 2.321 1.00 0.00 H new ATOM 0 H3 ALA A 1 -17.722 4.345 2.805 1.00 0.00 H new ATOM 0 HA ALA A 1 -16.971 3.672 0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -18.377 5.603 -0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -19.325 4.323 0.200 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -18.865 5.784 1.107 1.00 0.00 H new ATOM 10 N SER A 2 -14.973 5.069 0.407 1.00 0.00 N ATOM 11 CA SER A 2 -13.802 5.933 0.482 1.00 0.00 C ATOM 12 C SER A 2 -12.662 5.336 -0.349 1.00 0.00 C ATOM 13 O SER A 2 -11.652 4.900 0.201 1.00 0.00 O ATOM 14 CB SER A 2 -13.355 6.095 1.948 1.00 0.00 C ATOM 15 OG SER A 2 -12.449 7.175 2.096 1.00 0.00 O ATOM 0 H SER A 2 -14.810 4.186 -0.077 1.00 0.00 H new ATOM 0 HA SER A 2 -14.060 6.914 0.083 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.228 6.261 2.580 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.884 5.174 2.290 1.00 0.00 H new ATOM 0 HG SER A 2 -12.185 7.254 3.036 1.00 0.00 H new ATOM 21 N PRO A 3 -12.805 5.290 -1.693 1.00 0.00 N ATOM 22 CA PRO A 3 -11.763 4.748 -2.581 1.00 0.00 C ATOM 23 C PRO A 3 -10.401 5.406 -2.359 1.00 0.00 C ATOM 24 O PRO A 3 -9.354 4.788 -2.568 1.00 0.00 O ATOM 25 CB PRO A 3 -12.286 5.066 -3.985 1.00 0.00 C ATOM 26 CG PRO A 3 -13.762 5.132 -3.825 1.00 0.00 C ATOM 27 CD PRO A 3 -13.995 5.733 -2.453 1.00 0.00 C ATOM 0 HA PRO A 3 -11.596 3.686 -2.403 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.884 6.009 -4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.998 4.295 -4.700 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -14.214 5.746 -4.604 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -14.209 4.141 -3.900 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.066 6.820 -2.495 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -14.920 5.370 -2.004 1.00 0.00 H new ATOM 35 N GLN A 4 -10.428 6.657 -1.910 1.00 0.00 N ATOM 36 CA GLN A 4 -9.216 7.418 -1.652 1.00 0.00 C ATOM 37 C GLN A 4 -8.350 6.746 -0.589 1.00 0.00 C ATOM 38 O GLN A 4 -7.125 6.732 -0.696 1.00 0.00 O ATOM 39 CB GLN A 4 -9.582 8.838 -1.211 1.00 0.00 C ATOM 40 CG GLN A 4 -8.382 9.708 -0.857 1.00 0.00 C ATOM 41 CD GLN A 4 -8.774 11.128 -0.489 1.00 0.00 C ATOM 42 OE1 GLN A 4 -8.013 12.067 -0.710 1.00 0.00 O ATOM 43 NE2 GLN A 4 -9.963 11.298 0.071 1.00 0.00 N ATOM 0 H GLN A 4 -11.289 7.168 -1.716 1.00 0.00 H new ATOM 0 HA GLN A 4 -8.638 7.459 -2.575 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -10.145 9.321 -2.010 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.243 8.779 -0.346 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.845 9.256 -0.023 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.695 9.733 -1.703 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.567 10.494 0.239 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.274 12.233 0.334 1.00 0.00 H new ATOM 52 N GLN A 5 -8.989 6.177 0.427 1.00 0.00 N ATOM 53 CA GLN A 5 -8.257 5.556 1.529 1.00 0.00 C ATOM 54 C GLN A 5 -7.477 4.341 1.035 1.00 0.00 C ATOM 55 O GLN A 5 -6.374 4.060 1.509 1.00 0.00 O ATOM 56 CB GLN A 5 -9.203 5.165 2.679 1.00 0.00 C ATOM 57 CG GLN A 5 -9.964 3.863 2.456 1.00 0.00 C ATOM 58 CD GLN A 5 -11.051 3.618 3.489 1.00 0.00 C ATOM 59 OE1 GLN A 5 -12.056 2.967 3.201 1.00 0.00 O ATOM 60 NE2 GLN A 5 -10.867 4.134 4.694 1.00 0.00 N ATOM 0 H GLN A 5 -10.004 6.132 0.512 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.549 6.289 1.917 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.622 5.079 3.597 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.922 5.970 2.831 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -10.413 3.878 1.463 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.260 3.031 2.475 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.022 4.668 4.897 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.570 3.998 5.420 1.00 0.00 H new ATOM 69 N ALA A 6 -8.050 3.637 0.069 1.00 0.00 N ATOM 70 CA ALA A 6 -7.383 2.496 -0.542 1.00 0.00 C ATOM 71 C ALA A 6 -6.255 2.963 -1.447 1.00 0.00 C ATOM 72 O ALA A 6 -5.165 2.389 -1.441 1.00 0.00 O ATOM 73 CB ALA A 6 -8.370 1.634 -1.321 1.00 0.00 C ATOM 0 H ALA A 6 -8.976 3.836 -0.309 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.961 1.885 0.256 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.843 0.790 -1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -9.142 1.265 -0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.831 2.230 -2.109 1.00 0.00 H new ATOM 79 N LYS A 7 -6.514 4.026 -2.197 1.00 0.00 N ATOM 80 CA LYS A 7 -5.518 4.589 -3.100 1.00 0.00 C ATOM 81 C LYS A 7 -4.313 5.089 -2.306 1.00 0.00 C ATOM 82 O LYS A 7 -3.171 4.954 -2.743 1.00 0.00 O ATOM 83 CB LYS A 7 -6.137 5.728 -3.925 1.00 0.00 C ATOM 84 CG LYS A 7 -5.197 6.338 -4.956 1.00 0.00 C ATOM 85 CD LYS A 7 -4.779 5.312 -6.011 1.00 0.00 C ATOM 86 CE LYS A 7 -3.901 5.945 -7.090 1.00 0.00 C ATOM 87 NZ LYS A 7 -2.702 6.610 -6.511 1.00 0.00 N ATOM 0 H LYS A 7 -7.408 4.517 -2.198 1.00 0.00 H new ATOM 0 HA LYS A 7 -5.180 3.812 -3.786 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.023 5.351 -4.436 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.471 6.513 -3.246 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.687 7.182 -5.442 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.311 6.729 -4.456 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.238 4.496 -5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.667 4.879 -6.471 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.585 5.178 -7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.485 6.674 -7.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -2.042 6.862 -7.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.993 7.472 -6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.232 5.962 -5.847 1.00 0.00 H new ATOM 101 N TYR A 8 -4.579 5.644 -1.129 1.00 0.00 N ATOM 102 CA TYR A 8 -3.523 6.126 -0.247 1.00 0.00 C ATOM 103 C TYR A 8 -2.671 4.964 0.255 1.00 0.00 C ATOM 104 O TYR A 8 -1.441 5.057 0.303 1.00 0.00 O ATOM 105 CB TYR A 8 -4.130 6.887 0.937 1.00 0.00 C ATOM 106 CG TYR A 8 -3.117 7.632 1.776 1.00 0.00 C ATOM 107 CD1 TYR A 8 -2.585 7.068 2.928 1.00 0.00 C ATOM 108 CD2 TYR A 8 -2.700 8.904 1.416 1.00 0.00 C ATOM 109 CE1 TYR A 8 -1.668 7.754 3.699 1.00 0.00 C ATOM 110 CE2 TYR A 8 -1.781 9.597 2.180 1.00 0.00 C ATOM 111 CZ TYR A 8 -1.268 9.018 3.320 1.00 0.00 C ATOM 112 OH TYR A 8 -0.351 9.706 4.083 1.00 0.00 O ATOM 0 H TYR A 8 -5.522 5.772 -0.762 1.00 0.00 H new ATOM 0 HA TYR A 8 -2.883 6.804 -0.812 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.866 7.597 0.560 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.664 6.181 1.573 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -2.894 6.077 3.226 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.100 9.361 0.523 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -1.266 7.303 4.594 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.466 10.587 1.885 1.00 0.00 H new ATOM 0 HH TYR A 8 -0.177 10.580 3.676 1.00 0.00 H new ATOM 122 N CYS A 9 -3.333 3.866 0.609 1.00 0.00 N ATOM 123 CA CYS A 9 -2.646 2.690 1.142 1.00 0.00 C ATOM 124 C CYS A 9 -1.665 2.136 0.113 1.00 0.00 C ATOM 125 O CYS A 9 -0.514 1.838 0.436 1.00 0.00 O ATOM 126 CB CYS A 9 -3.660 1.605 1.549 1.00 0.00 C ATOM 127 SG CYS A 9 -2.959 0.250 2.558 1.00 0.00 S ATOM 0 H CYS A 9 -4.345 3.765 0.537 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.090 2.992 2.029 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.470 2.074 2.107 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -4.099 1.179 0.647 1.00 0.00 H new ATOM 132 N TYR A 10 -2.119 2.035 -1.133 1.00 0.00 N ATOM 133 CA TYR A 10 -1.301 1.476 -2.206 1.00 0.00 C ATOM 134 C TYR A 10 -0.265 2.472 -2.723 1.00 0.00 C ATOM 135 O TYR A 10 0.756 2.072 -3.281 1.00 0.00 O ATOM 136 CB TYR A 10 -2.180 1.010 -3.372 1.00 0.00 C ATOM 137 CG TYR A 10 -2.929 -0.272 -3.104 1.00 0.00 C ATOM 138 CD1 TYR A 10 -4.276 -0.266 -2.763 1.00 0.00 C ATOM 139 CD2 TYR A 10 -2.283 -1.492 -3.207 1.00 0.00 C ATOM 140 CE1 TYR A 10 -4.954 -1.446 -2.534 1.00 0.00 C ATOM 141 CE2 TYR A 10 -2.951 -2.674 -2.978 1.00 0.00 C ATOM 142 CZ TYR A 10 -4.289 -2.649 -2.643 1.00 0.00 C ATOM 143 OH TYR A 10 -4.957 -3.831 -2.409 1.00 0.00 O ATOM 0 H TYR A 10 -3.050 2.333 -1.425 1.00 0.00 H new ATOM 0 HA TYR A 10 -0.770 0.624 -1.781 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -2.898 1.795 -3.608 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -1.554 0.875 -4.254 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.799 0.675 -2.676 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -1.236 -1.517 -3.472 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -6.001 -1.427 -2.270 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -2.430 -3.616 -3.060 1.00 0.00 H new ATOM 0 HH TYR A 10 -4.342 -4.584 -2.530 1.00 0.00 H new ATOM 153 N GLU A 11 -0.527 3.760 -2.571 1.00 0.00 N ATOM 154 CA GLU A 11 0.414 4.768 -3.031 1.00 0.00 C ATOM 155 C GLU A 11 1.613 4.873 -2.087 1.00 0.00 C ATOM 156 O GLU A 11 2.760 4.804 -2.526 1.00 0.00 O ATOM 157 CB GLU A 11 -0.265 6.140 -3.182 1.00 0.00 C ATOM 158 CG GLU A 11 0.667 7.220 -3.711 1.00 0.00 C ATOM 159 CD GLU A 11 0.004 8.578 -3.780 1.00 0.00 C ATOM 160 OE1 GLU A 11 -0.085 9.258 -2.737 1.00 0.00 O ATOM 161 OE2 GLU A 11 -0.433 8.974 -4.879 1.00 0.00 O ATOM 0 H GLU A 11 -1.373 4.129 -2.138 1.00 0.00 H new ATOM 0 HA GLU A 11 0.772 4.454 -4.012 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.117 6.044 -3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.658 6.451 -2.214 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.547 7.281 -3.070 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.016 6.939 -4.705 1.00 0.00 H new ATOM 168 N GLN A 12 1.349 5.016 -0.792 1.00 0.00 N ATOM 169 CA GLN A 12 2.400 5.318 0.166 1.00 0.00 C ATOM 170 C GLN A 12 3.187 4.082 0.582 1.00 0.00 C ATOM 171 O GLN A 12 4.319 4.205 1.039 1.00 0.00 O ATOM 172 CB GLN A 12 1.801 6.005 1.393 1.00 0.00 C ATOM 173 CG GLN A 12 1.156 7.336 1.062 1.00 0.00 C ATOM 174 CD GLN A 12 2.138 8.494 1.058 1.00 0.00 C ATOM 175 OE1 GLN A 12 1.759 9.640 1.301 1.00 0.00 O ATOM 176 NE2 GLN A 12 3.406 8.208 0.807 1.00 0.00 N ATOM 0 H GLN A 12 0.418 4.927 -0.385 1.00 0.00 H new ATOM 0 HA GLN A 12 3.105 5.989 -0.325 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.058 5.348 1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 12 2.584 6.160 2.136 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.681 7.268 0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.367 7.540 1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.682 7.246 0.610 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.106 8.949 0.811 1.00 0.00 H new ATOM 185 N CYS A 13 2.605 2.903 0.404 1.00 0.00 N ATOM 186 CA CYS A 13 3.234 1.663 0.856 1.00 0.00 C ATOM 187 C CYS A 13 4.634 1.502 0.259 1.00 0.00 C ATOM 188 O CYS A 13 5.619 1.387 0.990 1.00 0.00 O ATOM 189 CB CYS A 13 2.349 0.458 0.497 1.00 0.00 C ATOM 190 SG CYS A 13 2.064 0.245 -1.290 1.00 0.00 S ATOM 0 H CYS A 13 1.700 2.776 -0.049 1.00 0.00 H new ATOM 0 HA CYS A 13 3.340 1.710 1.940 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.811 -0.448 0.890 1.00 0.00 H new ATOM 0 HB3 CYS A 13 1.386 0.567 0.996 1.00 0.00 H new ATOM 195 N ASN A 14 4.726 1.518 -1.065 1.00 0.00 N ATOM 196 CA ASN A 14 6.016 1.396 -1.741 1.00 0.00 C ATOM 197 C ASN A 14 6.862 2.646 -1.542 1.00 0.00 C ATOM 198 O ASN A 14 8.088 2.574 -1.540 1.00 0.00 O ATOM 199 CB ASN A 14 5.832 1.117 -3.240 1.00 0.00 C ATOM 200 CG ASN A 14 4.941 2.144 -3.934 1.00 0.00 C ATOM 201 OD1 ASN A 14 3.735 1.939 -4.048 1.00 0.00 O ATOM 202 ND2 ASN A 14 5.509 3.259 -4.390 1.00 0.00 N ATOM 0 H ASN A 14 3.927 1.614 -1.692 1.00 0.00 H new ATOM 0 HA ASN A 14 6.539 0.551 -1.293 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.809 1.106 -3.724 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.401 0.124 -3.369 1.00 0.00 H new ATOM 0 HD21 ASN A 14 4.940 3.971 -4.848 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.513 3.401 -4.281 1.00 0.00 H new ATOM 209 N VAL A 15 6.206 3.787 -1.367 1.00 0.00 N ATOM 210 CA VAL A 15 6.911 5.044 -1.151 1.00 0.00 C ATOM 211 C VAL A 15 7.687 5.003 0.160 1.00 0.00 C ATOM 212 O VAL A 15 8.814 5.497 0.234 1.00 0.00 O ATOM 213 CB VAL A 15 5.950 6.257 -1.152 1.00 0.00 C ATOM 214 CG1 VAL A 15 6.681 7.529 -0.742 1.00 0.00 C ATOM 215 CG2 VAL A 15 5.318 6.442 -2.526 1.00 0.00 C ATOM 0 H VAL A 15 5.189 3.867 -1.370 1.00 0.00 H new ATOM 0 HA VAL A 15 7.606 5.167 -1.981 1.00 0.00 H new ATOM 0 HB VAL A 15 5.162 6.059 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.985 8.368 -0.750 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.090 7.407 0.261 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.492 7.724 -1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.646 7.300 -2.505 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.100 6.612 -3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 15 4.755 5.547 -2.791 1.00 0.00 H new ATOM 225 N ASN A 16 7.092 4.402 1.186 1.00 0.00 N ATOM 226 CA ASN A 16 7.773 4.275 2.467 1.00 0.00 C ATOM 227 C ASN A 16 8.922 3.286 2.333 1.00 0.00 C ATOM 228 O ASN A 16 10.084 3.687 2.240 1.00 0.00 O ATOM 229 CB ASN A 16 6.809 3.792 3.562 1.00 0.00 C ATOM 230 CG ASN A 16 5.596 4.683 3.748 1.00 0.00 C ATOM 231 OD1 ASN A 16 4.532 4.217 4.155 1.00 0.00 O ATOM 232 ND2 ASN A 16 5.735 5.961 3.450 1.00 0.00 N ATOM 0 H ASN A 16 6.154 4.001 1.156 1.00 0.00 H new ATOM 0 HA ASN A 16 8.153 5.256 2.752 1.00 0.00 H new ATOM 0 HB2 ASN A 16 6.473 2.784 3.318 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.350 3.729 4.506 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.945 6.598 3.554 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.632 6.312 3.115 1.00 0.00 H new ATOM 239 N LYS A 17 8.581 1.994 2.281 1.00 0.00 N ATOM 240 CA LYS A 17 9.528 0.940 1.934 1.00 0.00 C ATOM 241 C LYS A 17 8.854 -0.440 2.022 1.00 0.00 C ATOM 242 O LYS A 17 8.971 -1.139 3.029 1.00 0.00 O ATOM 243 CB LYS A 17 10.800 0.976 2.826 1.00 0.00 C ATOM 244 CG LYS A 17 10.585 0.719 4.322 1.00 0.00 C ATOM 245 CD LYS A 17 9.948 1.910 5.039 1.00 0.00 C ATOM 246 CE LYS A 17 9.793 1.643 6.530 1.00 0.00 C ATOM 247 NZ LYS A 17 8.915 0.476 6.805 1.00 0.00 N ATOM 0 H LYS A 17 7.640 1.654 2.479 1.00 0.00 H new ATOM 0 HA LYS A 17 9.846 1.119 0.907 1.00 0.00 H new ATOM 0 HB2 LYS A 17 11.504 0.234 2.449 1.00 0.00 H new ATOM 0 HB3 LYS A 17 11.272 1.952 2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.950 -0.158 4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.543 0.489 4.788 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.562 2.798 4.889 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.972 2.120 4.602 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.775 1.468 6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.380 2.528 7.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.688 0.444 7.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.036 0.566 6.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.406 -0.399 6.532 1.00 0.00 H new ATOM 261 N VAL A 18 8.162 -0.858 0.962 1.00 0.00 N ATOM 262 CA VAL A 18 7.577 -2.197 0.931 1.00 0.00 C ATOM 263 C VAL A 18 7.530 -2.706 -0.512 1.00 0.00 C ATOM 264 O VAL A 18 7.294 -1.932 -1.445 1.00 0.00 O ATOM 265 CB VAL A 18 6.131 -2.271 1.539 1.00 0.00 C ATOM 266 CG1 VAL A 18 5.939 -1.307 2.705 1.00 0.00 C ATOM 267 CG2 VAL A 18 5.072 -2.054 0.473 1.00 0.00 C ATOM 0 H VAL A 18 7.995 -0.298 0.126 1.00 0.00 H new ATOM 0 HA VAL A 18 8.219 -2.821 1.553 1.00 0.00 H new ATOM 0 HB VAL A 18 6.012 -3.279 1.937 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.923 -1.398 3.089 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.649 -1.547 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.108 -0.286 2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.082 -2.111 0.926 1.00 0.00 H new ATOM 0 HG22 VAL A 18 5.207 -1.072 0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.165 -2.823 -0.294 1.00 0.00 H new ATOM 277 N PRO A 19 7.807 -3.999 -0.713 1.00 0.00 N ATOM 278 CA PRO A 19 7.578 -4.669 -1.996 1.00 0.00 C ATOM 279 C PRO A 19 6.087 -4.721 -2.335 1.00 0.00 C ATOM 280 O PRO A 19 5.257 -4.678 -1.425 1.00 0.00 O ATOM 281 CB PRO A 19 8.115 -6.089 -1.774 1.00 0.00 C ATOM 282 CG PRO A 19 8.982 -6.001 -0.562 1.00 0.00 C ATOM 283 CD PRO A 19 8.404 -4.898 0.279 1.00 0.00 C ATOM 0 HA PRO A 19 8.063 -4.149 -2.822 1.00 0.00 H new ATOM 0 HB2 PRO A 19 7.301 -6.798 -1.624 1.00 0.00 H new ATOM 0 HB3 PRO A 19 8.682 -6.434 -2.638 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.989 -6.945 -0.017 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.015 -5.784 -0.835 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.660 -5.274 0.981 1.00 0.00 H new ATOM 0 HD3 PRO A 19 9.172 -4.396 0.867 1.00 0.00 H new ATOM 291 N PHE A 20 5.732 -4.802 -3.615 1.00 0.00 N ATOM 292 CA PHE A 20 4.319 -4.756 -4.000 1.00 0.00 C ATOM 293 C PHE A 20 3.505 -5.845 -3.294 1.00 0.00 C ATOM 294 O PHE A 20 2.412 -5.577 -2.787 1.00 0.00 O ATOM 295 CB PHE A 20 4.132 -4.873 -5.514 1.00 0.00 C ATOM 296 CG PHE A 20 2.717 -4.584 -5.936 1.00 0.00 C ATOM 297 CD1 PHE A 20 2.317 -3.288 -6.209 1.00 0.00 C ATOM 298 CD2 PHE A 20 1.783 -5.606 -6.036 1.00 0.00 C ATOM 299 CE1 PHE A 20 1.014 -3.012 -6.578 1.00 0.00 C ATOM 300 CE2 PHE A 20 0.480 -5.336 -6.406 1.00 0.00 C ATOM 301 CZ PHE A 20 0.096 -4.038 -6.677 1.00 0.00 C ATOM 0 H PHE A 20 6.386 -4.898 -4.391 1.00 0.00 H new ATOM 0 HA PHE A 20 3.949 -3.781 -3.683 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.808 -4.181 -6.016 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.407 -5.877 -5.836 1.00 0.00 H new ATOM 0 HD1 PHE A 20 3.032 -2.482 -6.133 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.078 -6.623 -5.822 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.715 -1.996 -6.788 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.238 -6.139 -6.483 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.923 -3.825 -6.966 1.00 0.00 H new ATOM 311 N ASP A 21 4.046 -7.060 -3.242 1.00 0.00 N ATOM 312 CA ASP A 21 3.355 -8.179 -2.599 1.00 0.00 C ATOM 313 C ASP A 21 3.095 -7.880 -1.126 1.00 0.00 C ATOM 314 O ASP A 21 2.069 -8.279 -0.574 1.00 0.00 O ATOM 315 CB ASP A 21 4.151 -9.485 -2.745 1.00 0.00 C ATOM 316 CG ASP A 21 5.523 -9.431 -2.101 1.00 0.00 C ATOM 317 OD1 ASP A 21 6.405 -8.720 -2.622 1.00 0.00 O ATOM 318 OD2 ASP A 21 5.734 -10.118 -1.079 1.00 0.00 O ATOM 0 H ASP A 21 4.957 -7.296 -3.635 1.00 0.00 H new ATOM 0 HA ASP A 21 2.397 -8.308 -3.103 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.581 -10.301 -2.300 1.00 0.00 H new ATOM 0 HB3 ASP A 21 4.264 -9.716 -3.804 1.00 0.00 H new ATOM 323 N GLN A 22 4.023 -7.162 -0.500 1.00 0.00 N ATOM 324 CA GLN A 22 3.853 -6.710 0.873 1.00 0.00 C ATOM 325 C GLN A 22 2.780 -5.624 0.947 1.00 0.00 C ATOM 326 O GLN A 22 1.991 -5.579 1.893 1.00 0.00 O ATOM 327 CB GLN A 22 5.172 -6.177 1.425 1.00 0.00 C ATOM 328 CG GLN A 22 5.071 -5.718 2.867 1.00 0.00 C ATOM 329 CD GLN A 22 4.699 -6.848 3.809 1.00 0.00 C ATOM 330 OE1 GLN A 22 5.031 -8.008 3.567 1.00 0.00 O ATOM 331 NE2 GLN A 22 4.012 -6.515 4.890 1.00 0.00 N ATOM 0 H GLN A 22 4.905 -6.880 -0.927 1.00 0.00 H new ATOM 0 HA GLN A 22 3.536 -7.560 1.478 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.931 -6.955 1.350 1.00 0.00 H new ATOM 0 HB3 GLN A 22 5.507 -5.344 0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.024 -5.289 3.177 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.326 -4.926 2.942 1.00 0.00 H new ATOM 0 HE21 GLN A 22 3.757 -5.541 5.052 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.737 -7.233 5.561 1.00 0.00 H new ATOM 340 N CYS A 23 2.754 -4.752 -0.058 1.00 0.00 N ATOM 341 CA CYS A 23 1.734 -3.704 -0.132 1.00 0.00 C ATOM 342 C CYS A 23 0.356 -4.338 -0.207 1.00 0.00 C ATOM 343 O CYS A 23 -0.563 -3.941 0.514 1.00 0.00 O ATOM 344 CB CYS A 23 1.950 -2.779 -1.344 1.00 0.00 C ATOM 345 SG CYS A 23 0.819 -1.352 -1.395 1.00 0.00 S ATOM 0 H CYS A 23 3.422 -4.748 -0.829 1.00 0.00 H new ATOM 0 HA CYS A 23 1.815 -3.094 0.768 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.978 -2.415 -1.332 1.00 0.00 H new ATOM 0 HB3 CYS A 23 1.828 -3.360 -2.258 1.00 0.00 H new ATOM 350 N TYR A 24 0.229 -5.347 -1.061 1.00 0.00 N ATOM 351 CA TYR A 24 -1.011 -6.089 -1.174 1.00 0.00 C ATOM 352 C TYR A 24 -1.346 -6.751 0.154 1.00 0.00 C ATOM 353 O TYR A 24 -2.494 -6.781 0.555 1.00 0.00 O ATOM 354 CB TYR A 24 -0.920 -7.147 -2.281 1.00 0.00 C ATOM 355 CG TYR A 24 -2.248 -7.801 -2.593 1.00 0.00 C ATOM 356 CD1 TYR A 24 -2.667 -8.935 -1.909 1.00 0.00 C ATOM 357 CD2 TYR A 24 -3.080 -7.284 -3.573 1.00 0.00 C ATOM 358 CE1 TYR A 24 -3.877 -9.534 -2.195 1.00 0.00 C ATOM 359 CE2 TYR A 24 -4.291 -7.875 -3.864 1.00 0.00 C ATOM 360 CZ TYR A 24 -4.687 -9.001 -3.173 1.00 0.00 C ATOM 361 OH TYR A 24 -5.895 -9.597 -3.465 1.00 0.00 O ATOM 0 H TYR A 24 0.972 -5.666 -1.683 1.00 0.00 H new ATOM 0 HA TYR A 24 -1.804 -5.389 -1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -0.530 -6.683 -3.187 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -0.206 -7.915 -1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -2.035 -9.355 -1.140 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -2.775 -6.403 -4.118 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -4.187 -10.416 -1.655 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.927 -7.458 -4.630 1.00 0.00 H new ATOM 0 HH TYR A 24 -6.612 -9.140 -2.977 1.00 0.00 H new ATOM 371 N GLN A 25 -0.328 -7.234 0.853 1.00 0.00 N ATOM 372 CA GLN A 25 -0.536 -7.978 2.085 1.00 0.00 C ATOM 373 C GLN A 25 -1.173 -7.095 3.155 1.00 0.00 C ATOM 374 O GLN A 25 -1.991 -7.558 3.947 1.00 0.00 O ATOM 375 CB GLN A 25 0.797 -8.536 2.589 1.00 0.00 C ATOM 376 CG GLN A 25 0.655 -9.462 3.791 1.00 0.00 C ATOM 377 CD GLN A 25 -0.261 -10.636 3.508 1.00 0.00 C ATOM 378 OE1 GLN A 25 0.184 -11.685 3.041 1.00 0.00 O ATOM 379 NE2 GLN A 25 -1.543 -10.470 3.791 1.00 0.00 N ATOM 0 H GLN A 25 0.650 -7.123 0.587 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.216 -8.804 1.877 1.00 0.00 H new ATOM 0 HB2 GLN A 25 1.284 -9.078 1.779 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.451 -7.706 2.856 1.00 0.00 H new ATOM 0 HG2 GLN A 25 1.639 -9.833 4.079 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.266 -8.897 4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.870 -9.584 4.177 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.205 -11.228 3.623 1.00 0.00 H new ATOM 388 N MET A 26 -0.801 -5.825 3.163 1.00 0.00 N ATOM 389 CA MET A 26 -1.322 -4.887 4.145 1.00 0.00 C ATOM 390 C MET A 26 -2.653 -4.279 3.699 1.00 0.00 C ATOM 391 O MET A 26 -3.597 -4.199 4.485 1.00 0.00 O ATOM 392 CB MET A 26 -0.289 -3.782 4.401 1.00 0.00 C ATOM 393 CG MET A 26 -0.852 -2.544 5.092 1.00 0.00 C ATOM 394 SD MET A 26 0.380 -1.236 5.290 1.00 0.00 S ATOM 395 CE MET A 26 1.034 -1.097 3.626 1.00 0.00 C ATOM 0 H MET A 26 -0.140 -5.420 2.500 1.00 0.00 H new ATOM 0 HA MET A 26 -1.509 -5.434 5.069 1.00 0.00 H new ATOM 0 HB2 MET A 26 0.517 -4.189 5.011 1.00 0.00 H new ATOM 0 HB3 MET A 26 0.151 -3.484 3.449 1.00 0.00 H new ATOM 0 HG2 MET A 26 -1.693 -2.161 4.514 1.00 0.00 H new ATOM 0 HG3 MET A 26 -1.240 -2.824 6.072 1.00 0.00 H new ATOM 0 HE1 MET A 26 1.411 -0.087 3.466 1.00 0.00 H new ATOM 0 HE2 MET A 26 1.846 -1.812 3.493 1.00 0.00 H new ATOM 0 HE3 MET A 26 0.244 -1.307 2.906 1.00 0.00 H new ATOM 405 N CYS A 27 -2.732 -3.858 2.443 1.00 0.00 N ATOM 406 CA CYS A 27 -3.914 -3.144 1.956 1.00 0.00 C ATOM 407 C CYS A 27 -5.027 -4.096 1.497 1.00 0.00 C ATOM 408 O CYS A 27 -6.129 -3.645 1.183 1.00 0.00 O ATOM 409 CB CYS A 27 -3.535 -2.193 0.810 1.00 0.00 C ATOM 410 SG CYS A 27 -2.167 -1.050 1.207 1.00 0.00 S ATOM 0 H CYS A 27 -2.001 -3.995 1.745 1.00 0.00 H new ATOM 0 HA CYS A 27 -4.302 -2.567 2.796 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.257 -2.785 -0.062 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.412 -1.609 0.532 1.00 0.00 H new ATOM 415 N SER A 28 -4.752 -5.400 1.457 1.00 0.00 N ATOM 416 CA SER A 28 -5.765 -6.376 1.047 1.00 0.00 C ATOM 417 C SER A 28 -7.007 -6.377 1.960 1.00 0.00 C ATOM 418 O SER A 28 -8.126 -6.356 1.450 1.00 0.00 O ATOM 419 CB SER A 28 -5.168 -7.786 0.915 1.00 0.00 C ATOM 420 OG SER A 28 -4.237 -8.068 1.945 1.00 0.00 O ATOM 0 H SER A 28 -3.847 -5.803 1.700 1.00 0.00 H new ATOM 0 HA SER A 28 -6.108 -6.060 0.062 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.971 -8.523 0.940 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.677 -7.882 -0.053 1.00 0.00 H new ATOM 0 HG SER A 28 -3.349 -7.750 1.679 1.00 0.00 H new ATOM 426 N PRO A 29 -6.860 -6.406 3.308 1.00 0.00 N ATOM 427 CA PRO A 29 -8.012 -6.296 4.218 1.00 0.00 C ATOM 428 C PRO A 29 -8.864 -5.063 3.926 1.00 0.00 C ATOM 429 O PRO A 29 -10.074 -5.055 4.150 1.00 0.00 O ATOM 430 CB PRO A 29 -7.362 -6.176 5.595 1.00 0.00 C ATOM 431 CG PRO A 29 -6.078 -6.915 5.454 1.00 0.00 C ATOM 432 CD PRO A 29 -5.601 -6.610 4.057 1.00 0.00 C ATOM 0 HA PRO A 29 -8.691 -7.143 4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.195 -5.134 5.868 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.990 -6.612 6.372 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.352 -6.589 6.199 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.222 -7.986 5.596 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.969 -5.722 4.032 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.015 -7.430 3.643 1.00 0.00 H new ATOM 440 N LEU A 30 -8.222 -4.036 3.398 1.00 0.00 N ATOM 441 CA LEU A 30 -8.890 -2.787 3.088 1.00 0.00 C ATOM 442 C LEU A 30 -9.615 -2.912 1.752 1.00 0.00 C ATOM 443 O LEU A 30 -10.845 -2.897 1.699 1.00 0.00 O ATOM 444 CB LEU A 30 -7.860 -1.644 3.038 1.00 0.00 C ATOM 445 CG LEU A 30 -8.399 -0.218 3.255 1.00 0.00 C ATOM 446 CD1 LEU A 30 -7.258 0.780 3.165 1.00 0.00 C ATOM 447 CD2 LEU A 30 -9.487 0.139 2.247 1.00 0.00 C ATOM 0 H LEU A 30 -7.227 -4.045 3.173 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.621 -2.562 3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.099 -1.839 3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -7.363 -1.676 2.069 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.847 -0.178 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.643 1.788 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.516 0.554 3.931 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.795 0.715 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.839 1.153 2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.082 0.078 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -10.319 -0.559 2.347 1.00 0.00 H new ATOM 459 N GLU A 31 -8.851 -3.057 0.679 1.00 0.00 N ATOM 460 CA GLU A 31 -9.432 -3.068 -0.660 1.00 0.00 C ATOM 461 C GLU A 31 -10.011 -4.445 -0.966 1.00 0.00 C ATOM 462 O GLU A 31 -11.228 -4.628 -0.950 1.00 0.00 O ATOM 463 CB GLU A 31 -8.379 -2.665 -1.709 1.00 0.00 C ATOM 464 CG GLU A 31 -8.957 -2.144 -3.034 1.00 0.00 C ATOM 465 CD GLU A 31 -9.685 -3.203 -3.839 1.00 0.00 C ATOM 466 OE1 GLU A 31 -10.930 -3.264 -3.765 1.00 0.00 O ATOM 467 OE2 GLU A 31 -9.016 -3.970 -4.560 1.00 0.00 O ATOM 0 H GLU A 31 -7.837 -3.168 0.706 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.240 -2.338 -0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.736 -1.895 -1.281 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.747 -3.528 -1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -9.644 -1.324 -2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.147 -1.734 -3.637 1.00 0.00 H new ATOM 474 N ARG A 32 -9.144 -5.423 -1.186 1.00 0.00 N ATOM 475 CA ARG A 32 -9.586 -6.771 -1.517 1.00 0.00 C ATOM 476 C ARG A 32 -8.493 -7.784 -1.204 1.00 0.00 C ATOM 477 O ARG A 32 -7.350 -7.632 -1.632 1.00 0.00 O ATOM 478 CB ARG A 32 -9.978 -6.859 -3.003 1.00 0.00 C ATOM 479 CG ARG A 32 -10.397 -8.265 -3.469 1.00 0.00 C ATOM 480 CD ARG A 32 -11.635 -8.781 -2.739 1.00 0.00 C ATOM 481 NE ARG A 32 -12.583 -7.710 -2.439 1.00 0.00 N ATOM 482 CZ ARG A 32 -13.260 -7.608 -1.296 1.00 0.00 C ATOM 483 NH1 ARG A 32 -13.154 -8.553 -0.367 1.00 0.00 N ATOM 484 NH2 ARG A 32 -14.055 -6.568 -1.089 1.00 0.00 N ATOM 0 H ARG A 32 -8.131 -5.309 -1.141 1.00 0.00 H new ATOM 0 HA ARG A 32 -10.461 -7.003 -0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.800 -6.168 -3.191 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -9.136 -6.525 -3.609 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.594 -8.245 -4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.571 -8.958 -3.310 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.126 -9.538 -3.350 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.332 -9.267 -1.811 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.736 -6.995 -3.150 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -12.552 -9.361 -0.528 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.674 -8.470 0.506 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.148 -5.847 -1.804 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -14.574 -6.489 -0.214 1.00 0.00 H new ATOM 498 N SER A 33 -8.851 -8.804 -0.444 1.00 0.00 N ATOM 499 CA SER A 33 -7.921 -9.857 -0.082 1.00 0.00 C ATOM 500 C SER A 33 -8.179 -11.102 -0.923 1.00 0.00 C ATOM 501 CB SER A 33 -8.045 -10.160 1.417 1.00 0.00 C ATOM 502 OG SER A 33 -9.392 -10.015 1.849 1.00 0.00 O ATOM 0 H SER A 33 -9.789 -8.925 -0.063 1.00 0.00 H new ATOM 0 HA SER A 33 -6.902 -9.527 -0.283 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.701 -11.174 1.618 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.402 -9.487 1.984 1.00 0.00 H new ATOM 0 HG SER A 33 -9.452 -10.214 2.807 1.00 0.00 H new TER 508 SER A 33