USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 266 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 GLY N :NH3+ 156:sc= 1.14 (180deg=0.253) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -164:sc= -0.0331 (180deg=-0.338) USER MOD Single : A 10 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-9.8e-05) USER MOD Single : A 12 LYS NZ :NH3+ -113:sc= 0.855 (180deg=-0.401) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.749 12.718 2.568 1.00 0.00 N ATOM 2 CA GLY A 1 3.076 12.796 1.915 1.00 0.00 C ATOM 3 C GLY A 1 3.139 11.903 0.701 1.00 0.00 C ATOM 4 O GLY A 1 2.506 10.849 0.681 1.00 0.00 O ATOM 0 H1 GLY A 1 1.838 12.986 3.569 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.090 13.367 2.093 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.386 11.746 2.501 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.281 13.826 1.623 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.851 12.505 2.624 1.00 0.00 H new ATOM 10 N LEU A 2 3.884 12.317 -0.315 1.00 0.00 N ATOM 11 CA LEU A 2 3.999 11.527 -1.530 1.00 0.00 C ATOM 12 C LEU A 2 5.041 10.428 -1.356 1.00 0.00 C ATOM 13 O LEU A 2 6.245 10.683 -1.371 1.00 0.00 O ATOM 14 CB LEU A 2 4.349 12.423 -2.725 1.00 0.00 C ATOM 15 CG LEU A 2 3.994 11.859 -4.110 1.00 0.00 C ATOM 16 CD1 LEU A 2 4.936 10.734 -4.516 1.00 0.00 C ATOM 17 CD2 LEU A 2 2.550 11.375 -4.135 1.00 0.00 C ATOM 0 H LEU A 2 4.413 13.189 -0.321 1.00 0.00 H new ATOM 0 HA LEU A 2 3.036 11.057 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 2 3.839 13.378 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.419 12.628 -2.700 1.00 0.00 H new ATOM 0 HG LEU A 2 4.109 12.666 -4.833 1.00 0.00 H new ATOM 0 HD11 LEU A 2 4.654 10.361 -5.500 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.959 11.110 -4.550 1.00 0.00 H new ATOM 0 HD13 LEU A 2 4.871 9.925 -3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 2 2.316 10.979 -5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 2 2.416 10.592 -3.389 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.883 12.208 -3.911 1.00 0.00 H new ATOM 29 N LEU A 3 4.546 9.211 -1.210 1.00 0.00 N ATOM 30 CA LEU A 3 5.363 8.014 -1.052 1.00 0.00 C ATOM 31 C LEU A 3 4.427 6.827 -0.901 1.00 0.00 C ATOM 32 O LEU A 3 3.447 6.900 -0.162 1.00 0.00 O ATOM 33 CB LEU A 3 6.328 8.099 0.150 1.00 0.00 C ATOM 34 CG LEU A 3 5.706 7.952 1.546 1.00 0.00 C ATOM 35 CD1 LEU A 3 6.779 7.592 2.561 1.00 0.00 C ATOM 36 CD2 LEU A 3 5.004 9.231 1.970 1.00 0.00 C ATOM 0 H LEU A 3 3.544 9.020 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 3 5.995 7.905 -1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.087 7.325 0.032 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.842 9.059 0.106 1.00 0.00 H new ATOM 0 HG LEU A 3 4.966 7.153 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.327 7.490 3.548 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.247 6.649 2.277 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.534 8.378 2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.573 9.098 2.962 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.723 10.050 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.212 9.464 1.259 1.00 0.00 H new ATOM 48 N CYS A 4 4.686 5.756 -1.624 1.00 0.00 N ATOM 49 CA CYS A 4 3.813 4.600 -1.563 1.00 0.00 C ATOM 50 C CYS A 4 4.236 3.647 -0.460 1.00 0.00 C ATOM 51 O CYS A 4 5.389 3.634 -0.023 1.00 0.00 O ATOM 52 CB CYS A 4 3.778 3.837 -2.889 1.00 0.00 C ATOM 53 SG CYS A 4 3.209 4.768 -4.359 1.00 0.00 S ATOM 0 H CYS A 4 5.483 5.661 -2.253 1.00 0.00 H new ATOM 0 HA CYS A 4 2.815 4.983 -1.351 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.781 3.461 -3.092 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.131 2.969 -2.765 1.00 0.00 H new ATOM 58 N TYR A 5 3.284 2.847 -0.033 1.00 0.00 N ATOM 59 CA TYR A 5 3.486 1.853 1.005 1.00 0.00 C ATOM 60 C TYR A 5 3.003 0.503 0.509 1.00 0.00 C ATOM 61 O TYR A 5 1.946 0.410 -0.121 1.00 0.00 O ATOM 62 CB TYR A 5 2.697 2.204 2.272 1.00 0.00 C ATOM 63 CG TYR A 5 3.046 3.536 2.906 1.00 0.00 C ATOM 64 CD1 TYR A 5 2.592 4.731 2.362 1.00 0.00 C ATOM 65 CD2 TYR A 5 3.826 3.592 4.054 1.00 0.00 C ATOM 66 CE1 TYR A 5 2.904 5.944 2.947 1.00 0.00 C ATOM 67 CE2 TYR A 5 4.144 4.801 4.641 1.00 0.00 C ATOM 68 CZ TYR A 5 3.679 5.974 4.085 1.00 0.00 C ATOM 69 OH TYR A 5 3.990 7.179 4.671 1.00 0.00 O ATOM 0 H TYR A 5 2.333 2.867 -0.401 1.00 0.00 H new ATOM 0 HA TYR A 5 4.550 1.827 1.241 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.634 2.203 2.030 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.857 1.417 3.009 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.986 4.712 1.468 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.190 2.675 4.495 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.541 6.864 2.513 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.754 4.828 5.532 1.00 0.00 H new ATOM 0 HH TYR A 5 4.543 7.024 5.465 1.00 0.00 H new ATOM 79 N CYS A 6 3.753 -0.536 0.812 1.00 0.00 N ATOM 80 CA CYS A 6 3.372 -1.882 0.418 1.00 0.00 C ATOM 81 C CYS A 6 2.334 -2.421 1.377 1.00 0.00 C ATOM 82 O CYS A 6 2.513 -2.382 2.595 1.00 0.00 O ATOM 83 CB CYS A 6 4.569 -2.827 0.400 1.00 0.00 C ATOM 84 SG CYS A 6 5.716 -2.563 -0.986 1.00 0.00 S ATOM 0 H CYS A 6 4.630 -0.477 1.329 1.00 0.00 H new ATOM 0 HA CYS A 6 2.964 -1.826 -0.591 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.118 -2.716 1.335 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.205 -3.854 0.364 1.00 0.00 H new ATOM 89 N ARG A 7 1.251 -2.918 0.828 1.00 0.00 N ATOM 90 CA ARG A 7 0.181 -3.471 1.640 1.00 0.00 C ATOM 91 C ARG A 7 -0.269 -4.809 1.081 1.00 0.00 C ATOM 92 O ARG A 7 -0.351 -4.995 -0.130 1.00 0.00 O ATOM 93 CB ARG A 7 -1.000 -2.509 1.739 1.00 0.00 C ATOM 94 CG ARG A 7 -0.595 -1.103 2.154 1.00 0.00 C ATOM 95 CD ARG A 7 -1.729 -0.374 2.850 1.00 0.00 C ATOM 96 NE ARG A 7 -1.332 0.958 3.322 1.00 0.00 N ATOM 97 CZ ARG A 7 -0.403 1.199 4.249 1.00 0.00 C ATOM 98 NH1 ARG A 7 0.260 0.200 4.826 1.00 0.00 N ATOM 99 NH2 ARG A 7 -0.150 2.453 4.603 1.00 0.00 N ATOM 0 H ARG A 7 1.083 -2.953 -0.177 1.00 0.00 H new ATOM 0 HA ARG A 7 0.570 -3.622 2.647 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.506 -2.465 0.774 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.719 -2.900 2.458 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.267 -1.154 2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.286 -0.539 1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.570 -0.277 2.164 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.074 -0.968 3.696 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.803 1.763 2.909 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.061 -0.765 4.561 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.968 0.399 5.533 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.663 3.219 4.168 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.558 2.650 5.310 1.00 0.00 H new ATOM 113 N LYS A 8 -0.528 -5.738 1.978 1.00 0.00 N ATOM 114 CA LYS A 8 -0.943 -7.080 1.600 1.00 0.00 C ATOM 115 C LYS A 8 -2.437 -7.161 1.308 1.00 0.00 C ATOM 116 O LYS A 8 -3.270 -6.774 2.131 1.00 0.00 O ATOM 117 CB LYS A 8 -0.566 -8.078 2.702 1.00 0.00 C ATOM 118 CG LYS A 8 -0.981 -7.637 4.100 1.00 0.00 C ATOM 119 CD LYS A 8 -0.610 -8.673 5.151 1.00 0.00 C ATOM 120 CE LYS A 8 -1.437 -9.942 5.009 1.00 0.00 C ATOM 121 NZ LYS A 8 -2.887 -9.688 5.231 1.00 0.00 N ATOM 0 H LYS A 8 -0.458 -5.589 2.985 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.418 -7.336 0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.029 -9.040 2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.513 -8.233 2.685 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.501 -6.688 4.339 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.057 -7.465 4.123 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.449 -8.917 5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.758 -8.252 6.145 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.290 -10.361 4.014 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.085 -10.686 5.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.376 -10.591 5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.009 -9.072 6.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.290 -9.223 4.393 1.00 0.00 H new ATOM 135 N GLY A 9 -2.764 -7.691 0.139 1.00 0.00 N ATOM 136 CA GLY A 9 -4.151 -7.852 -0.255 1.00 0.00 C ATOM 137 C GLY A 9 -4.737 -6.627 -0.923 1.00 0.00 C ATOM 138 O GLY A 9 -5.324 -6.728 -1.998 1.00 0.00 O ATOM 0 H GLY A 9 -2.087 -8.016 -0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.231 -8.700 -0.935 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.745 -8.094 0.627 1.00 0.00 H new ATOM 142 N HIS A 10 -4.585 -5.476 -0.286 1.00 0.00 N ATOM 143 CA HIS A 10 -5.111 -4.223 -0.826 1.00 0.00 C ATOM 144 C HIS A 10 -4.693 -3.039 0.030 1.00 0.00 C ATOM 145 O HIS A 10 -4.252 -3.206 1.168 1.00 0.00 O ATOM 146 CB HIS A 10 -6.647 -4.260 -0.953 1.00 0.00 C ATOM 147 CG HIS A 10 -7.395 -4.534 0.327 1.00 0.00 C ATOM 148 ND1 HIS A 10 -8.769 -4.660 0.374 1.00 0.00 N ATOM 149 CD2 HIS A 10 -6.966 -4.700 1.603 1.00 0.00 C ATOM 150 CE1 HIS A 10 -9.147 -4.892 1.618 1.00 0.00 C ATOM 151 NE2 HIS A 10 -8.073 -4.923 2.383 1.00 0.00 N ATOM 0 H HIS A 10 -4.102 -5.379 0.607 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.687 -4.104 -1.823 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.985 -3.304 -1.354 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.916 -5.024 -1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.941 -4.663 1.943 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.164 -5.033 1.953 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.066 -5.086 3.390 1.00 0.00 H new ATOM 160 N CYS A 11 -4.842 -1.851 -0.532 1.00 0.00 N ATOM 161 CA CYS A 11 -4.495 -0.616 0.156 1.00 0.00 C ATOM 162 C CYS A 11 -5.468 -0.331 1.289 1.00 0.00 C ATOM 163 O CYS A 11 -6.595 -0.837 1.305 1.00 0.00 O ATOM 164 CB CYS A 11 -4.521 0.558 -0.821 1.00 0.00 C ATOM 165 SG CYS A 11 -3.893 0.148 -2.479 1.00 0.00 S ATOM 0 H CYS A 11 -5.206 -1.714 -1.475 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.493 -0.736 0.567 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.545 0.922 -0.910 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.927 1.374 -0.409 1.00 0.00 H new ATOM 170 N LYS A 12 -5.041 0.514 2.208 1.00 0.00 N ATOM 171 CA LYS A 12 -5.879 0.919 3.319 1.00 0.00 C ATOM 172 C LYS A 12 -6.757 2.066 2.847 1.00 0.00 C ATOM 173 O LYS A 12 -6.366 2.792 1.933 1.00 0.00 O ATOM 174 CB LYS A 12 -5.023 1.357 4.516 1.00 0.00 C ATOM 175 CG LYS A 12 -5.834 1.907 5.683 1.00 0.00 C ATOM 176 CD LYS A 12 -4.949 2.522 6.757 1.00 0.00 C ATOM 177 CE LYS A 12 -4.094 3.658 6.209 1.00 0.00 C ATOM 178 NZ LYS A 12 -4.909 4.720 5.554 1.00 0.00 N ATOM 0 H LYS A 12 -4.112 0.935 2.206 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.494 0.081 3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.437 0.506 4.862 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.316 2.118 4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.533 2.659 5.316 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.429 1.105 6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.572 2.896 7.570 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.303 1.752 7.179 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -3.515 4.098 7.021 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.380 3.257 5.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -4.710 4.730 4.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -5.919 4.527 5.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.667 5.645 5.963 1.00 0.00 H new ATOM 192 N ARG A 13 -7.930 2.225 3.453 1.00 0.00 N ATOM 193 CA ARG A 13 -8.842 3.299 3.073 1.00 0.00 C ATOM 194 C ARG A 13 -8.116 4.640 3.138 1.00 0.00 C ATOM 195 O ARG A 13 -7.884 5.181 4.219 1.00 0.00 O ATOM 196 CB ARG A 13 -10.063 3.314 4.002 1.00 0.00 C ATOM 197 CG ARG A 13 -10.846 2.008 4.004 1.00 0.00 C ATOM 198 CD ARG A 13 -11.540 1.761 2.673 1.00 0.00 C ATOM 199 NE ARG A 13 -12.659 2.683 2.453 1.00 0.00 N ATOM 200 CZ ARG A 13 -13.436 2.669 1.367 1.00 0.00 C ATOM 201 NH1 ARG A 13 -13.195 1.806 0.385 1.00 0.00 N ATOM 202 NH2 ARG A 13 -14.451 3.521 1.265 1.00 0.00 N ATOM 0 H ARG A 13 -8.270 1.627 4.206 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.184 3.128 2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.733 3.531 5.018 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.727 4.125 3.702 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.171 1.180 4.221 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.588 2.031 4.802 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.818 1.868 1.863 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.905 0.735 2.640 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.856 3.378 3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.415 1.153 0.460 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.790 1.797 -0.444 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.636 4.186 2.016 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.044 3.510 0.435 1.00 0.00 H new ATOM 216 N GLY A 14 -7.723 5.142 1.974 1.00 0.00 N ATOM 217 CA GLY A 14 -6.996 6.389 1.909 1.00 0.00 C ATOM 218 C GLY A 14 -5.884 6.348 0.881 1.00 0.00 C ATOM 219 O GLY A 14 -5.583 7.357 0.239 1.00 0.00 O ATOM 0 H GLY A 14 -7.898 4.702 1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.685 7.197 1.665 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.575 6.614 2.889 1.00 0.00 H new ATOM 223 N GLU A 15 -5.267 5.180 0.724 1.00 0.00 N ATOM 224 CA GLU A 15 -4.179 5.017 -0.226 1.00 0.00 C ATOM 225 C GLU A 15 -4.673 4.521 -1.577 1.00 0.00 C ATOM 226 O GLU A 15 -5.486 3.601 -1.662 1.00 0.00 O ATOM 227 CB GLU A 15 -3.116 4.063 0.320 1.00 0.00 C ATOM 228 CG GLU A 15 -2.310 4.647 1.467 1.00 0.00 C ATOM 229 CD GLU A 15 -2.912 4.337 2.817 1.00 0.00 C ATOM 230 OE1 GLU A 15 -2.814 3.174 3.255 1.00 0.00 O ATOM 231 OE2 GLU A 15 -3.492 5.246 3.444 1.00 0.00 O ATOM 0 H GLU A 15 -5.504 4.335 1.244 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.735 6.002 -0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.600 3.146 0.656 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.437 3.787 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.293 4.256 1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.240 5.728 1.344 1.00 0.00 H new ATOM 238 N ARG A 16 -4.152 5.134 -2.624 1.00 0.00 N ATOM 239 CA ARG A 16 -4.488 4.770 -3.993 1.00 0.00 C ATOM 240 C ARG A 16 -3.432 3.827 -4.555 1.00 0.00 C ATOM 241 O ARG A 16 -2.239 4.020 -4.324 1.00 0.00 O ATOM 242 CB ARG A 16 -4.585 6.018 -4.871 1.00 0.00 C ATOM 243 CG ARG A 16 -5.777 6.903 -4.555 1.00 0.00 C ATOM 244 CD ARG A 16 -5.762 8.179 -5.384 1.00 0.00 C ATOM 245 NE ARG A 16 -5.678 7.920 -6.827 1.00 0.00 N ATOM 246 CZ ARG A 16 -6.645 7.352 -7.559 1.00 0.00 C ATOM 247 NH1 ARG A 16 -7.796 6.991 -6.996 1.00 0.00 N ATOM 248 NH2 ARG A 16 -6.459 7.150 -8.859 1.00 0.00 N ATOM 0 H ARG A 16 -3.482 5.900 -2.552 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.455 4.267 -3.990 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.672 6.602 -4.757 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.640 5.712 -5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.699 6.355 -4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.772 7.157 -3.495 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.664 8.753 -5.175 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.915 8.794 -5.080 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.820 8.193 -7.307 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.947 7.146 -5.999 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.527 6.559 -7.561 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.581 7.427 -9.298 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.194 6.718 -9.418 1.00 0.00 H new ATOM 262 N VAL A 17 -3.869 2.811 -5.283 1.00 0.00 N ATOM 263 CA VAL A 17 -2.953 1.840 -5.869 1.00 0.00 C ATOM 264 C VAL A 17 -2.040 2.499 -6.893 1.00 0.00 C ATOM 265 O VAL A 17 -2.498 3.196 -7.801 1.00 0.00 O ATOM 266 CB VAL A 17 -3.709 0.682 -6.557 1.00 0.00 C ATOM 267 CG1 VAL A 17 -2.754 -0.446 -6.923 1.00 0.00 C ATOM 268 CG2 VAL A 17 -4.839 0.167 -5.680 1.00 0.00 C ATOM 0 H VAL A 17 -4.854 2.636 -5.483 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.359 1.439 -5.048 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.148 1.070 -7.476 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.309 -1.250 -7.406 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.992 -0.070 -7.605 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.277 -0.826 -6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.353 -0.648 -6.190 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.431 -0.196 -4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.544 0.975 -5.484 1.00 0.00 H new ATOM 278 N ARG A 18 -0.750 2.263 -6.738 1.00 0.00 N ATOM 279 CA ARG A 18 0.247 2.805 -7.642 1.00 0.00 C ATOM 280 C ARG A 18 0.869 1.677 -8.446 1.00 0.00 C ATOM 281 O ARG A 18 1.263 1.858 -9.599 1.00 0.00 O ATOM 282 CB ARG A 18 1.321 3.567 -6.861 1.00 0.00 C ATOM 283 CG ARG A 18 2.418 4.162 -7.735 1.00 0.00 C ATOM 284 CD ARG A 18 1.851 5.110 -8.780 1.00 0.00 C ATOM 285 NE ARG A 18 2.902 5.711 -9.603 1.00 0.00 N ATOM 286 CZ ARG A 18 2.668 6.505 -10.648 1.00 0.00 C ATOM 287 NH1 ARG A 18 1.417 6.765 -11.018 1.00 0.00 N ATOM 288 NH2 ARG A 18 3.683 7.030 -11.329 1.00 0.00 N ATOM 0 H ARG A 18 -0.365 1.693 -5.985 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.233 3.505 -8.325 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.845 4.369 -6.297 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.775 2.893 -6.135 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.133 4.696 -7.109 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.965 3.359 -8.230 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.154 4.569 -9.420 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.283 5.898 -8.285 1.00 0.00 H new ATOM 0 HE ARG A 18 3.873 5.510 -9.362 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.637 6.357 -10.502 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.237 7.372 -11.817 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.643 6.825 -11.052 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.501 7.637 -12.128 1.00 0.00 H new ATOM 302 N GLY A 19 0.947 0.509 -7.827 1.00 0.00 N ATOM 303 CA GLY A 19 1.513 -0.646 -8.489 1.00 0.00 C ATOM 304 C GLY A 19 1.500 -1.873 -7.607 1.00 0.00 C ATOM 305 O GLY A 19 0.742 -1.946 -6.642 1.00 0.00 O ATOM 0 H GLY A 19 0.627 0.341 -6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.953 -0.851 -9.401 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.538 -0.426 -8.787 1.00 0.00 H new ATOM 309 N THR A 20 2.342 -2.833 -7.937 1.00 0.00 N ATOM 310 CA THR A 20 2.437 -4.069 -7.177 1.00 0.00 C ATOM 311 C THR A 20 3.782 -4.173 -6.467 1.00 0.00 C ATOM 312 O THR A 20 4.808 -3.767 -7.008 1.00 0.00 O ATOM 313 CB THR A 20 2.250 -5.290 -8.097 1.00 0.00 C ATOM 314 OG1 THR A 20 3.020 -5.116 -9.295 1.00 0.00 O ATOM 315 CG2 THR A 20 0.782 -5.484 -8.451 1.00 0.00 C ATOM 0 H THR A 20 2.977 -2.781 -8.734 1.00 0.00 H new ATOM 0 HA THR A 20 1.643 -4.057 -6.430 1.00 0.00 H new ATOM 0 HB THR A 20 2.595 -6.177 -7.567 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.900 -5.895 -9.877 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.676 -6.352 -9.101 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.206 -5.641 -7.539 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.412 -4.598 -8.966 1.00 0.00 H new ATOM 323 N CYS A 21 3.768 -4.724 -5.265 1.00 0.00 N ATOM 324 CA CYS A 21 4.987 -4.894 -4.486 1.00 0.00 C ATOM 325 C CYS A 21 5.542 -6.294 -4.669 1.00 0.00 C ATOM 326 O CYS A 21 6.751 -6.501 -4.732 1.00 0.00 O ATOM 327 CB CYS A 21 4.717 -4.620 -3.009 1.00 0.00 C ATOM 328 SG CYS A 21 4.540 -2.851 -2.614 1.00 0.00 S ATOM 0 H CYS A 21 2.923 -5.063 -4.804 1.00 0.00 H new ATOM 0 HA CYS A 21 5.727 -4.178 -4.843 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.808 -5.142 -2.712 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.532 -5.036 -2.416 1.00 0.00 H new ATOM 333 N GLY A 22 4.640 -7.249 -4.756 1.00 0.00 N ATOM 334 CA GLY A 22 5.029 -8.625 -4.935 1.00 0.00 C ATOM 335 C GLY A 22 3.848 -9.549 -4.802 1.00 0.00 C ATOM 336 O GLY A 22 2.701 -9.121 -4.972 1.00 0.00 O ATOM 0 H GLY A 22 3.633 -7.094 -4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.484 -8.752 -5.917 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.786 -8.890 -4.197 1.00 0.00 H new ATOM 340 N ILE A 23 4.115 -10.805 -4.486 1.00 0.00 N ATOM 341 CA ILE A 23 3.058 -11.789 -4.324 1.00 0.00 C ATOM 342 C ILE A 23 2.144 -11.393 -3.171 1.00 0.00 C ATOM 343 O ILE A 23 2.533 -11.473 -2.010 1.00 0.00 O ATOM 344 CB ILE A 23 3.618 -13.215 -4.072 1.00 0.00 C ATOM 345 CG1 ILE A 23 4.464 -13.700 -5.258 1.00 0.00 C ATOM 346 CG2 ILE A 23 2.482 -14.196 -3.809 1.00 0.00 C ATOM 347 CD1 ILE A 23 5.880 -13.159 -5.276 1.00 0.00 C ATOM 0 H ILE A 23 5.056 -11.168 -4.336 1.00 0.00 H new ATOM 0 HA ILE A 23 2.494 -11.810 -5.257 1.00 0.00 H new ATOM 0 HB ILE A 23 4.259 -13.167 -3.192 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.504 -14.789 -5.240 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.967 -13.415 -6.185 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.893 -15.190 -3.635 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.921 -13.876 -2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.818 -14.224 -4.673 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.408 -13.551 -6.145 1.00 0.00 H new ATOM 0 HD12 ILE A 23 5.853 -12.071 -5.328 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.398 -13.466 -4.368 1.00 0.00 H new ATOM 359 N ARG A 24 0.931 -10.967 -3.524 1.00 0.00 N ATOM 360 CA ARG A 24 -0.086 -10.546 -2.558 1.00 0.00 C ATOM 361 C ARG A 24 0.221 -9.195 -1.910 1.00 0.00 C ATOM 362 O ARG A 24 -0.374 -8.860 -0.885 1.00 0.00 O ATOM 363 CB ARG A 24 -0.284 -11.612 -1.469 1.00 0.00 C ATOM 364 CG ARG A 24 -1.104 -12.808 -1.926 1.00 0.00 C ATOM 365 CD ARG A 24 -2.528 -12.400 -2.283 1.00 0.00 C ATOM 366 NE ARG A 24 -3.323 -13.524 -2.793 1.00 0.00 N ATOM 367 CZ ARG A 24 -3.704 -14.578 -2.062 1.00 0.00 C ATOM 368 NH1 ARG A 24 -3.384 -14.658 -0.773 1.00 0.00 N ATOM 369 NH2 ARG A 24 -4.415 -15.552 -2.625 1.00 0.00 N ATOM 0 H ARG A 24 0.624 -10.904 -4.495 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.008 -10.428 -3.127 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.692 -11.960 -1.132 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.774 -11.154 -0.610 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.628 -13.269 -2.792 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.126 -13.559 -1.137 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.016 -11.985 -1.401 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.499 -11.610 -3.033 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.605 -13.500 -3.773 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.844 -13.912 -0.334 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.679 -15.465 -0.224 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.668 -15.494 -3.611 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.707 -16.357 -2.070 1.00 0.00 H new ATOM 383 N PHE A 25 1.110 -8.397 -2.502 1.00 0.00 N ATOM 384 CA PHE A 25 1.413 -7.089 -1.946 1.00 0.00 C ATOM 385 C PHE A 25 1.301 -6.032 -3.022 1.00 0.00 C ATOM 386 O PHE A 25 1.808 -6.200 -4.131 1.00 0.00 O ATOM 387 CB PHE A 25 2.802 -7.047 -1.304 1.00 0.00 C ATOM 388 CG PHE A 25 2.914 -7.866 -0.047 1.00 0.00 C ATOM 389 CD1 PHE A 25 2.974 -9.246 -0.106 1.00 0.00 C ATOM 390 CD2 PHE A 25 2.938 -7.252 1.194 1.00 0.00 C ATOM 391 CE1 PHE A 25 3.055 -10.002 1.046 1.00 0.00 C ATOM 392 CE2 PHE A 25 3.023 -8.002 2.351 1.00 0.00 C ATOM 393 CZ PHE A 25 3.079 -9.380 2.275 1.00 0.00 C ATOM 0 H PHE A 25 1.622 -8.632 -3.352 1.00 0.00 H new ATOM 0 HA PHE A 25 0.685 -6.887 -1.160 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.537 -7.404 -2.026 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.056 -6.012 -1.076 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.957 -9.739 -1.067 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.890 -6.175 1.258 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.099 -11.079 0.984 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.046 -7.512 3.313 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.142 -9.969 3.178 1.00 0.00 H new ATOM 403 N LEU A 26 0.623 -4.954 -2.689 1.00 0.00 N ATOM 404 CA LEU A 26 0.415 -3.855 -3.613 1.00 0.00 C ATOM 405 C LEU A 26 1.066 -2.590 -3.083 1.00 0.00 C ATOM 406 O LEU A 26 1.060 -2.330 -1.880 1.00 0.00 O ATOM 407 CB LEU A 26 -1.081 -3.601 -3.847 1.00 0.00 C ATOM 408 CG LEU A 26 -1.874 -4.763 -4.462 1.00 0.00 C ATOM 409 CD1 LEU A 26 -2.242 -5.798 -3.409 1.00 0.00 C ATOM 410 CD2 LEU A 26 -3.122 -4.242 -5.156 1.00 0.00 C ATOM 0 H LEU A 26 0.200 -4.813 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 26 0.873 -4.130 -4.563 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.538 -3.340 -2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.184 -2.733 -4.498 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.239 -5.251 -5.201 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.803 -6.608 -3.875 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.333 -6.198 -2.959 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.854 -5.330 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.674 -5.077 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.752 -3.726 -4.432 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.836 -3.549 -5.947 1.00 0.00 H new ATOM 422 N TYR A 27 1.618 -1.811 -3.992 1.00 0.00 N ATOM 423 CA TYR A 27 2.266 -0.561 -3.649 1.00 0.00 C ATOM 424 C TYR A 27 1.247 0.555 -3.804 1.00 0.00 C ATOM 425 O TYR A 27 0.804 0.854 -4.916 1.00 0.00 O ATOM 426 CB TYR A 27 3.460 -0.342 -4.580 1.00 0.00 C ATOM 427 CG TYR A 27 4.584 0.497 -4.008 1.00 0.00 C ATOM 428 CD1 TYR A 27 4.933 0.410 -2.667 1.00 0.00 C ATOM 429 CD2 TYR A 27 5.310 1.358 -4.820 1.00 0.00 C ATOM 430 CE1 TYR A 27 5.970 1.162 -2.149 1.00 0.00 C ATOM 431 CE2 TYR A 27 6.352 2.111 -4.310 1.00 0.00 C ATOM 432 CZ TYR A 27 6.678 2.009 -2.975 1.00 0.00 C ATOM 433 OH TYR A 27 7.709 2.761 -2.461 1.00 0.00 O ATOM 0 H TYR A 27 1.630 -2.027 -4.989 1.00 0.00 H new ATOM 0 HA TYR A 27 2.632 -0.577 -2.622 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.863 -1.315 -4.862 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.104 0.133 -5.494 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.385 -0.257 -2.018 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.057 1.441 -5.867 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.225 1.087 -1.102 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.907 2.776 -4.955 1.00 0.00 H new ATOM 0 HH TYR A 27 8.105 3.304 -3.174 1.00 0.00 H new ATOM 443 N CYS A 28 0.836 1.127 -2.693 1.00 0.00 N ATOM 444 CA CYS A 28 -0.185 2.168 -2.716 1.00 0.00 C ATOM 445 C CYS A 28 0.312 3.496 -2.165 1.00 0.00 C ATOM 446 O CYS A 28 0.929 3.550 -1.107 1.00 0.00 O ATOM 447 CB CYS A 28 -1.391 1.718 -1.904 1.00 0.00 C ATOM 448 SG CYS A 28 -1.894 -0.003 -2.204 1.00 0.00 S ATOM 0 H CYS A 28 1.187 0.895 -1.764 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.454 2.325 -3.761 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.167 1.839 -0.844 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.231 2.375 -2.129 1.00 0.00 H new ATOM 453 N CYS A 29 -0.010 4.565 -2.871 1.00 0.00 N ATOM 454 CA CYS A 29 0.349 5.915 -2.449 1.00 0.00 C ATOM 455 C CYS A 29 -0.876 6.646 -1.918 1.00 0.00 C ATOM 456 O CYS A 29 -1.925 6.654 -2.561 1.00 0.00 O ATOM 457 CB CYS A 29 0.963 6.717 -3.602 1.00 0.00 C ATOM 458 SG CYS A 29 2.784 6.642 -3.708 1.00 0.00 S ATOM 0 H CYS A 29 -0.526 4.527 -3.750 1.00 0.00 H new ATOM 0 HA CYS A 29 1.093 5.825 -1.657 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.544 6.355 -4.541 1.00 0.00 H new ATOM 0 HB3 CYS A 29 0.662 7.760 -3.500 1.00 0.00 H new ATOM 463 N PRO A 30 -0.760 7.271 -0.738 1.00 0.00 N ATOM 464 CA PRO A 30 -1.861 8.013 -0.116 1.00 0.00 C ATOM 465 C PRO A 30 -2.338 9.170 -0.987 1.00 0.00 C ATOM 466 O PRO A 30 -1.590 9.672 -1.826 1.00 0.00 O ATOM 467 CB PRO A 30 -1.255 8.545 1.188 1.00 0.00 C ATOM 468 CG PRO A 30 -0.072 7.680 1.443 1.00 0.00 C ATOM 469 CD PRO A 30 0.455 7.303 0.090 1.00 0.00 C ATOM 0 HA PRO A 30 -2.737 7.383 0.036 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.965 9.591 1.091 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.970 8.487 2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.683 8.210 2.023 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.350 6.795 2.015 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.177 8.031 -0.280 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.958 6.336 0.107 1.00 0.00 H new ATOM 477 N ARG A 31 -3.591 9.571 -0.782 1.00 0.00 N ATOM 478 CA ARG A 31 -4.203 10.666 -1.541 1.00 0.00 C ATOM 479 C ARG A 31 -3.307 11.906 -1.585 1.00 0.00 C ATOM 480 O ARG A 31 -3.198 12.556 -2.622 1.00 0.00 O ATOM 481 CB ARG A 31 -5.553 11.045 -0.928 1.00 0.00 C ATOM 482 CG ARG A 31 -6.663 10.042 -1.193 1.00 0.00 C ATOM 483 CD ARG A 31 -7.906 10.378 -0.385 1.00 0.00 C ATOM 484 NE ARG A 31 -9.058 9.548 -0.751 1.00 0.00 N ATOM 485 CZ ARG A 31 -9.803 9.733 -1.845 1.00 0.00 C ATOM 486 NH1 ARG A 31 -9.545 10.742 -2.672 1.00 0.00 N ATOM 487 NH2 ARG A 31 -10.816 8.913 -2.102 1.00 0.00 N ATOM 0 H ARG A 31 -4.210 9.150 -0.089 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.341 10.309 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.431 11.158 0.149 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.856 12.017 -1.318 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.906 10.036 -2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -6.320 9.039 -0.939 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.691 10.248 0.676 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -8.158 11.428 -0.533 1.00 0.00 H new ATOM 0 HE ARG A 31 -9.307 8.779 -0.130 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.775 11.380 -2.473 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.117 10.878 -3.505 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.024 8.144 -1.465 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -11.386 9.052 -2.936 1.00 0.00 H new ATOM 501 N ARG A 32 -2.671 12.219 -0.459 1.00 0.00 N ATOM 502 CA ARG A 32 -1.782 13.372 -0.364 1.00 0.00 C ATOM 503 C ARG A 32 -1.029 13.318 0.957 1.00 0.00 C ATOM 504 O ARG A 32 -1.538 12.667 1.896 1.00 0.00 O ATOM 505 CB ARG A 32 -2.560 14.697 -0.468 1.00 0.00 C ATOM 506 CG ARG A 32 -3.281 15.109 0.811 1.00 0.00 C ATOM 507 CD ARG A 32 -4.432 14.171 1.151 1.00 0.00 C ATOM 508 NE ARG A 32 -5.031 14.474 2.454 1.00 0.00 N ATOM 509 CZ ARG A 32 -4.443 14.228 3.631 1.00 0.00 C ATOM 510 NH1 ARG A 32 -3.258 13.623 3.687 1.00 0.00 N ATOM 511 NH2 ARG A 32 -5.055 14.578 4.759 1.00 0.00 N ATOM 512 OXT ARG A 32 0.056 13.920 1.059 1.00 0.00 O ATOM 0 H ARG A 32 -2.756 11.685 0.406 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.080 13.333 -1.197 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.867 15.489 -0.751 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.292 14.612 -1.271 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -2.571 15.124 1.638 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.662 16.124 0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.196 14.242 0.377 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -4.072 13.142 1.150 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.957 14.901 2.465 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.788 13.341 2.827 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -2.820 13.441 4.590 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -5.968 15.032 4.724 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.611 14.393 5.659 1.00 0.00 H new TER 526 ARG A 32