USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=5 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+ -112:sc= 0.123 (180deg=-2.41!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -163:sc= -0.0965 (180deg=-0.465) USER MOD Single : A 10 HIS : no HD1:sc= -0.259 X(o=-0.26,f=0.00088) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc=0.000893 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.564 10.853 4.194 1.00 0.00 N ATOM 2 CA GLY A 1 1.982 11.225 3.979 1.00 0.00 C ATOM 3 C GLY A 1 2.400 11.014 2.541 1.00 0.00 C ATOM 4 O GLY A 1 1.961 10.056 1.906 1.00 0.00 O ATOM 0 H1 GLY A 1 0.008 11.708 4.400 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.191 10.396 3.337 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.496 10.194 4.995 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.130 12.270 4.252 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.618 10.631 4.635 1.00 0.00 H new ATOM 10 N LEU A 2 3.241 11.906 2.026 1.00 0.00 N ATOM 11 CA LEU A 2 3.718 11.814 0.649 1.00 0.00 C ATOM 12 C LEU A 2 4.777 10.717 0.512 1.00 0.00 C ATOM 13 O LEU A 2 5.963 10.995 0.336 1.00 0.00 O ATOM 14 CB LEU A 2 4.279 13.165 0.186 1.00 0.00 C ATOM 15 CG LEU A 2 4.637 13.250 -1.301 1.00 0.00 C ATOM 16 CD1 LEU A 2 3.404 13.034 -2.164 1.00 0.00 C ATOM 17 CD2 LEU A 2 5.284 14.590 -1.615 1.00 0.00 C ATOM 0 H LEU A 2 3.608 12.704 2.544 1.00 0.00 H new ATOM 0 HA LEU A 2 2.874 11.552 0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 2 3.547 13.940 0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.171 13.389 0.771 1.00 0.00 H new ATOM 0 HG LEU A 2 5.353 12.460 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 2 3.681 13.098 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 2 2.984 12.049 -1.959 1.00 0.00 H new ATOM 0 HD13 LEU A 2 2.662 13.799 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 2 5.532 14.635 -2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 2 4.591 15.395 -1.371 1.00 0.00 H new ATOM 0 HD23 LEU A 2 6.193 14.702 -1.024 1.00 0.00 H new ATOM 29 N LEU A 3 4.329 9.476 0.609 1.00 0.00 N ATOM 30 CA LEU A 3 5.192 8.316 0.507 1.00 0.00 C ATOM 31 C LEU A 3 4.320 7.086 0.336 1.00 0.00 C ATOM 32 O LEU A 3 3.329 6.928 1.040 1.00 0.00 O ATOM 33 CB LEU A 3 6.068 8.174 1.758 1.00 0.00 C ATOM 34 CG LEU A 3 7.063 7.010 1.733 1.00 0.00 C ATOM 35 CD1 LEU A 3 8.065 7.183 0.602 1.00 0.00 C ATOM 36 CD2 LEU A 3 7.781 6.894 3.068 1.00 0.00 C ATOM 0 H LEU A 3 3.347 9.246 0.762 1.00 0.00 H new ATOM 0 HA LEU A 3 5.856 8.430 -0.350 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.623 9.101 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 3 5.418 8.056 2.625 1.00 0.00 H new ATOM 0 HG LEU A 3 6.507 6.089 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 3 8.762 6.345 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 3 7.536 7.215 -0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 3 8.615 8.113 0.743 1.00 0.00 H new ATOM 0 HD21 LEU A 3 8.484 6.062 3.032 1.00 0.00 H new ATOM 0 HD22 LEU A 3 8.323 7.818 3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.052 6.719 3.859 1.00 0.00 H new ATOM 48 N CYS A 4 4.670 6.239 -0.608 1.00 0.00 N ATOM 49 CA CYS A 4 3.896 5.040 -0.873 1.00 0.00 C ATOM 50 C CYS A 4 4.372 3.887 -0.004 1.00 0.00 C ATOM 51 O CYS A 4 5.531 3.835 0.409 1.00 0.00 O ATOM 52 CB CYS A 4 3.995 4.659 -2.347 1.00 0.00 C ATOM 53 SG CYS A 4 3.867 6.072 -3.494 1.00 0.00 S ATOM 0 H CYS A 4 5.487 6.357 -1.207 1.00 0.00 H new ATOM 0 HA CYS A 4 2.854 5.248 -0.631 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.945 4.152 -2.517 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.206 3.944 -2.580 1.00 0.00 H new ATOM 58 N TYR A 5 3.461 2.975 0.276 1.00 0.00 N ATOM 59 CA TYR A 5 3.748 1.815 1.109 1.00 0.00 C ATOM 60 C TYR A 5 3.146 0.551 0.513 1.00 0.00 C ATOM 61 O TYR A 5 2.062 0.585 -0.074 1.00 0.00 O ATOM 62 CB TYR A 5 3.167 1.997 2.515 1.00 0.00 C ATOM 63 CG TYR A 5 3.654 3.224 3.258 1.00 0.00 C ATOM 64 CD1 TYR A 5 2.985 4.436 3.144 1.00 0.00 C ATOM 65 CD2 TYR A 5 4.766 3.164 4.087 1.00 0.00 C ATOM 66 CE1 TYR A 5 3.414 5.556 3.830 1.00 0.00 C ATOM 67 CE2 TYR A 5 5.200 4.280 4.779 1.00 0.00 C ATOM 68 CZ TYR A 5 4.520 5.473 4.646 1.00 0.00 C ATOM 69 OH TYR A 5 4.947 6.587 5.334 1.00 0.00 O ATOM 0 H TYR A 5 2.501 3.014 -0.066 1.00 0.00 H new ATOM 0 HA TYR A 5 4.833 1.721 1.160 1.00 0.00 H new ATOM 0 HB2 TYR A 5 2.081 2.045 2.439 1.00 0.00 H new ATOM 0 HB3 TYR A 5 3.406 1.114 3.107 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.115 4.504 2.508 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.300 2.231 4.193 1.00 0.00 H new ATOM 0 HE1 TYR A 5 2.885 6.492 3.727 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.067 4.218 5.420 1.00 0.00 H new ATOM 0 HH TYR A 5 5.739 6.360 5.865 1.00 0.00 H new ATOM 79 N CYS A 6 3.831 -0.566 0.701 1.00 0.00 N ATOM 80 CA CYS A 6 3.341 -1.848 0.225 1.00 0.00 C ATOM 81 C CYS A 6 2.300 -2.377 1.197 1.00 0.00 C ATOM 82 O CYS A 6 2.514 -2.386 2.412 1.00 0.00 O ATOM 83 CB CYS A 6 4.469 -2.871 0.099 1.00 0.00 C ATOM 84 SG CYS A 6 5.681 -2.508 -1.210 1.00 0.00 S ATOM 0 H CYS A 6 4.730 -0.610 1.181 1.00 0.00 H new ATOM 0 HA CYS A 6 2.905 -1.697 -0.763 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.993 -2.934 1.053 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.033 -3.852 -0.090 1.00 0.00 H new ATOM 89 N ARG A 7 1.183 -2.817 0.665 1.00 0.00 N ATOM 90 CA ARG A 7 0.111 -3.353 1.482 1.00 0.00 C ATOM 91 C ARG A 7 -0.256 -4.734 0.987 1.00 0.00 C ATOM 92 O ARG A 7 -0.335 -4.969 -0.215 1.00 0.00 O ATOM 93 CB ARG A 7 -1.122 -2.453 1.438 1.00 0.00 C ATOM 94 CG ARG A 7 -0.836 -0.986 1.718 1.00 0.00 C ATOM 95 CD ARG A 7 -0.281 -0.778 3.115 1.00 0.00 C ATOM 96 NE ARG A 7 -0.242 0.635 3.473 1.00 0.00 N ATOM 97 CZ ARG A 7 0.405 1.126 4.525 1.00 0.00 C ATOM 98 NH1 ARG A 7 1.082 0.318 5.336 1.00 0.00 N ATOM 99 NH2 ARG A 7 0.383 2.429 4.754 1.00 0.00 N ATOM 0 H ARG A 7 0.989 -2.815 -0.336 1.00 0.00 H new ATOM 0 HA ARG A 7 0.460 -3.404 2.513 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.586 -2.540 0.455 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.848 -2.815 2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.125 -0.608 0.984 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.753 -0.408 1.601 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.895 -1.319 3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.724 -1.197 3.174 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.745 1.291 2.876 1.00 0.00 H new ATOM 0 HH11 ARG A 7 1.107 -0.685 5.152 1.00 0.00 H new ATOM 0 HH12 ARG A 7 1.576 0.701 6.142 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.128 3.049 4.125 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.877 2.814 5.559 1.00 0.00 H new ATOM 113 N LYS A 8 -0.475 -5.644 1.910 1.00 0.00 N ATOM 114 CA LYS A 8 -0.830 -7.003 1.545 1.00 0.00 C ATOM 115 C LYS A 8 -2.341 -7.141 1.397 1.00 0.00 C ATOM 116 O LYS A 8 -3.111 -6.763 2.290 1.00 0.00 O ATOM 117 CB LYS A 8 -0.275 -8.028 2.556 1.00 0.00 C ATOM 118 CG LYS A 8 -0.972 -8.054 3.913 1.00 0.00 C ATOM 119 CD LYS A 8 -0.689 -6.809 4.737 1.00 0.00 C ATOM 120 CE LYS A 8 -1.436 -6.843 6.061 1.00 0.00 C ATOM 121 NZ LYS A 8 -2.906 -6.982 5.862 1.00 0.00 N ATOM 0 H LYS A 8 -0.415 -5.472 2.914 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.369 -7.219 0.581 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.342 -9.022 2.113 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.783 -7.820 2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.047 -8.150 3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.647 -8.934 4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.382 -6.729 4.923 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.982 -5.923 4.174 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.070 -7.674 6.664 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.229 -5.930 6.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -3.401 -6.717 6.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.212 -6.358 5.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.132 -7.968 5.622 1.00 0.00 H new ATOM 135 N GLY A 9 -2.751 -7.675 0.260 1.00 0.00 N ATOM 136 CA GLY A 9 -4.161 -7.865 -0.020 1.00 0.00 C ATOM 137 C GLY A 9 -4.806 -6.651 -0.652 1.00 0.00 C ATOM 138 O GLY A 9 -5.445 -6.756 -1.697 1.00 0.00 O ATOM 0 H GLY A 9 -2.126 -7.985 -0.484 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.282 -8.721 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -4.681 -8.105 0.907 1.00 0.00 H new ATOM 142 N HIS A 10 -4.632 -5.498 -0.020 1.00 0.00 N ATOM 143 CA HIS A 10 -5.190 -4.244 -0.522 1.00 0.00 C ATOM 144 C HIS A 10 -4.733 -3.066 0.321 1.00 0.00 C ATOM 145 O HIS A 10 -4.333 -3.229 1.476 1.00 0.00 O ATOM 146 CB HIS A 10 -6.730 -4.280 -0.593 1.00 0.00 C ATOM 147 CG HIS A 10 -7.435 -4.615 0.692 1.00 0.00 C ATOM 148 ND1 HIS A 10 -8.802 -4.795 0.764 1.00 0.00 N ATOM 149 CD2 HIS A 10 -6.972 -4.802 1.953 1.00 0.00 C ATOM 150 CE1 HIS A 10 -9.145 -5.076 2.007 1.00 0.00 C ATOM 151 NE2 HIS A 10 -8.055 -5.088 2.749 1.00 0.00 N ATOM 0 H HIS A 10 -4.105 -5.403 0.848 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.814 -4.118 -1.537 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.082 -3.307 -0.936 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.023 -5.010 -1.348 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -5.942 -4.738 2.273 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -10.149 -5.264 2.357 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.021 -5.279 3.750 1.00 0.00 H new ATOM 160 N CYS A 11 -4.787 -1.893 -0.284 1.00 0.00 N ATOM 161 CA CYS A 11 -4.377 -0.648 0.356 1.00 0.00 C ATOM 162 C CYS A 11 -5.332 -0.236 1.468 1.00 0.00 C ATOM 163 O CYS A 11 -6.464 -0.729 1.554 1.00 0.00 O ATOM 164 CB CYS A 11 -4.325 0.466 -0.689 1.00 0.00 C ATOM 165 SG CYS A 11 -3.721 -0.082 -2.314 1.00 0.00 S ATOM 0 H CYS A 11 -5.119 -1.773 -1.241 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.394 -0.812 0.797 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.323 0.889 -0.806 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.681 1.266 -0.323 1.00 0.00 H new ATOM 170 N LYS A 12 -4.879 0.696 2.299 1.00 0.00 N ATOM 171 CA LYS A 12 -5.687 1.223 3.383 1.00 0.00 C ATOM 172 C LYS A 12 -6.788 2.101 2.784 1.00 0.00 C ATOM 173 O LYS A 12 -6.674 2.529 1.633 1.00 0.00 O ATOM 174 CB LYS A 12 -4.810 2.039 4.342 1.00 0.00 C ATOM 175 CG LYS A 12 -5.476 2.397 5.664 1.00 0.00 C ATOM 176 CD LYS A 12 -5.644 1.178 6.561 1.00 0.00 C ATOM 177 CE LYS A 12 -6.183 1.565 7.930 1.00 0.00 C ATOM 178 NZ LYS A 12 -6.263 0.397 8.851 1.00 0.00 N ATOM 0 H LYS A 12 -3.946 1.103 2.238 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.137 0.406 3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -3.901 1.475 4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.507 2.959 3.842 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.879 3.149 6.180 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.452 2.843 5.470 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.323 0.468 6.089 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.684 0.674 6.676 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.541 2.329 8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.173 2.006 7.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.635 0.706 9.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.895 -0.322 8.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -5.314 -0.009 8.980 1.00 0.00 H new ATOM 192 N ARG A 13 -7.844 2.365 3.553 1.00 0.00 N ATOM 193 CA ARG A 13 -8.961 3.197 3.092 1.00 0.00 C ATOM 194 C ARG A 13 -8.526 4.646 2.861 1.00 0.00 C ATOM 195 O ARG A 13 -8.898 5.550 3.612 1.00 0.00 O ATOM 196 CB ARG A 13 -10.112 3.154 4.099 1.00 0.00 C ATOM 197 CG ARG A 13 -10.953 1.891 4.018 1.00 0.00 C ATOM 198 CD ARG A 13 -11.691 1.798 2.689 1.00 0.00 C ATOM 199 NE ARG A 13 -12.629 0.670 2.645 1.00 0.00 N ATOM 200 CZ ARG A 13 -13.752 0.593 3.369 1.00 0.00 C ATOM 201 NH1 ARG A 13 -14.108 1.594 4.172 1.00 0.00 N ATOM 202 NH2 ARG A 13 -14.529 -0.481 3.274 1.00 0.00 N ATOM 0 H ARG A 13 -7.952 2.013 4.504 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.301 2.789 2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.705 3.244 5.106 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.756 4.019 3.938 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.313 1.017 4.142 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -11.672 1.878 4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.235 2.726 2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.966 1.696 1.881 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.410 -0.107 2.021 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -13.523 2.427 4.239 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -14.965 1.528 4.720 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.269 -1.245 2.650 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.385 -0.541 3.825 1.00 0.00 H new ATOM 216 N GLY A 14 -7.729 4.853 1.829 1.00 0.00 N ATOM 217 CA GLY A 14 -7.238 6.170 1.511 1.00 0.00 C ATOM 218 C GLY A 14 -6.051 6.130 0.574 1.00 0.00 C ATOM 219 O GLY A 14 -5.707 7.141 -0.040 1.00 0.00 O ATOM 0 H GLY A 14 -7.410 4.118 1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.038 6.753 1.055 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.955 6.682 2.431 1.00 0.00 H new ATOM 223 N GLU A 15 -5.404 4.975 0.473 1.00 0.00 N ATOM 224 CA GLU A 15 -4.243 4.838 -0.385 1.00 0.00 C ATOM 225 C GLU A 15 -4.630 4.450 -1.800 1.00 0.00 C ATOM 226 O GLU A 15 -5.409 3.524 -2.027 1.00 0.00 O ATOM 227 CB GLU A 15 -3.279 3.815 0.189 1.00 0.00 C ATOM 228 CG GLU A 15 -2.740 4.212 1.544 1.00 0.00 C ATOM 229 CD GLU A 15 -1.921 3.119 2.186 1.00 0.00 C ATOM 230 OE1 GLU A 15 -2.402 1.966 2.246 1.00 0.00 O ATOM 231 OE2 GLU A 15 -0.803 3.408 2.649 1.00 0.00 O ATOM 0 H GLU A 15 -5.665 4.126 0.974 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.753 5.811 -0.428 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.785 2.853 0.272 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.447 3.679 -0.502 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.126 5.107 1.439 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.571 4.471 2.200 1.00 0.00 H new ATOM 238 N ARG A 16 -4.053 5.165 -2.739 1.00 0.00 N ATOM 239 CA ARG A 16 -4.280 4.925 -4.154 1.00 0.00 C ATOM 240 C ARG A 16 -3.261 3.917 -4.677 1.00 0.00 C ATOM 241 O ARG A 16 -2.056 4.102 -4.509 1.00 0.00 O ATOM 242 CB ARG A 16 -4.190 6.251 -4.929 1.00 0.00 C ATOM 243 CG ARG A 16 -3.891 6.096 -6.415 1.00 0.00 C ATOM 244 CD ARG A 16 -4.971 5.308 -7.144 1.00 0.00 C ATOM 245 NE ARG A 16 -4.503 4.831 -8.447 1.00 0.00 N ATOM 246 CZ ARG A 16 -4.338 5.606 -9.522 1.00 0.00 C ATOM 247 NH1 ARG A 16 -4.699 6.886 -9.492 1.00 0.00 N ATOM 248 NH2 ARG A 16 -3.823 5.089 -10.634 1.00 0.00 N ATOM 0 H ARG A 16 -3.410 5.933 -2.547 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.278 4.511 -4.298 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.131 6.788 -4.815 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.414 6.869 -4.478 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.796 7.082 -6.869 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.932 5.594 -6.540 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.277 4.459 -6.533 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.851 5.936 -7.281 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.288 3.838 -8.540 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.105 7.282 -8.644 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.570 7.472 -10.317 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.556 4.105 -10.663 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -3.695 5.677 -11.458 1.00 0.00 H new ATOM 262 N VAL A 17 -3.749 2.855 -5.305 1.00 0.00 N ATOM 263 CA VAL A 17 -2.880 1.819 -5.848 1.00 0.00 C ATOM 264 C VAL A 17 -1.977 2.384 -6.936 1.00 0.00 C ATOM 265 O VAL A 17 -2.450 2.900 -7.952 1.00 0.00 O ATOM 266 CB VAL A 17 -3.690 0.645 -6.440 1.00 0.00 C ATOM 267 CG1 VAL A 17 -2.779 -0.525 -6.781 1.00 0.00 C ATOM 268 CG2 VAL A 17 -4.795 0.210 -5.489 1.00 0.00 C ATOM 0 H VAL A 17 -4.745 2.688 -5.451 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.276 1.451 -5.018 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.157 0.991 -7.362 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.373 -1.339 -7.196 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.037 -0.207 -7.513 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.274 -0.868 -5.878 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.350 -0.618 -5.930 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.357 -0.110 -4.544 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.471 1.046 -5.311 1.00 0.00 H new ATOM 278 N ARG A 18 -0.679 2.272 -6.711 1.00 0.00 N ATOM 279 CA ARG A 18 0.317 2.746 -7.653 1.00 0.00 C ATOM 280 C ARG A 18 0.786 1.587 -8.514 1.00 0.00 C ATOM 281 O ARG A 18 1.072 1.746 -9.699 1.00 0.00 O ATOM 282 CB ARG A 18 1.508 3.360 -6.912 1.00 0.00 C ATOM 283 CG ARG A 18 2.528 4.020 -7.825 1.00 0.00 C ATOM 284 CD ARG A 18 3.790 4.397 -7.063 1.00 0.00 C ATOM 285 NE ARG A 18 4.724 5.177 -7.879 1.00 0.00 N ATOM 286 CZ ARG A 18 4.548 6.462 -8.198 1.00 0.00 C ATOM 287 NH1 ARG A 18 3.508 7.137 -7.716 1.00 0.00 N ATOM 288 NH2 ARG A 18 5.429 7.079 -8.981 1.00 0.00 N ATOM 0 H ARG A 18 -0.287 1.850 -5.869 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.129 3.514 -8.284 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.139 4.099 -6.201 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.004 2.581 -6.333 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.782 3.342 -8.640 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.093 4.912 -8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.518 4.972 -6.178 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.285 3.491 -6.715 1.00 0.00 H new ATOM 0 HE ARG A 18 5.562 4.709 -8.225 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.840 6.673 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.378 8.118 -7.963 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.238 6.571 -9.337 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.295 8.060 -9.225 1.00 0.00 H new ATOM 302 N GLY A 19 0.858 0.418 -7.898 1.00 0.00 N ATOM 303 CA GLY A 19 1.290 -0.769 -8.605 1.00 0.00 C ATOM 304 C GLY A 19 1.352 -1.984 -7.709 1.00 0.00 C ATOM 305 O GLY A 19 0.679 -2.042 -6.683 1.00 0.00 O ATOM 0 H GLY A 19 0.624 0.269 -6.916 1.00 0.00 H new ATOM 0 HA2 GLY A 19 0.607 -0.965 -9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.274 -0.591 -9.040 1.00 0.00 H new ATOM 309 N THR A 20 2.161 -2.951 -8.098 1.00 0.00 N ATOM 310 CA THR A 20 2.318 -4.179 -7.337 1.00 0.00 C ATOM 311 C THR A 20 3.690 -4.252 -6.675 1.00 0.00 C ATOM 312 O THR A 20 4.691 -3.837 -7.257 1.00 0.00 O ATOM 313 CB THR A 20 2.123 -5.408 -8.242 1.00 0.00 C ATOM 314 OG1 THR A 20 2.844 -5.225 -9.469 1.00 0.00 O ATOM 315 CG2 THR A 20 0.648 -5.636 -8.540 1.00 0.00 C ATOM 0 H THR A 20 2.726 -2.910 -8.946 1.00 0.00 H new ATOM 0 HA THR A 20 1.555 -4.177 -6.559 1.00 0.00 H new ATOM 0 HB THR A 20 2.507 -6.284 -7.720 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.719 -6.010 -10.042 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.537 -6.510 -9.181 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.109 -5.800 -7.607 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.239 -4.761 -9.046 1.00 0.00 H new ATOM 323 N CYS A 21 3.729 -4.789 -5.464 1.00 0.00 N ATOM 324 CA CYS A 21 4.975 -4.934 -4.723 1.00 0.00 C ATOM 325 C CYS A 21 5.511 -6.346 -4.857 1.00 0.00 C ATOM 326 O CYS A 21 6.715 -6.565 -4.972 1.00 0.00 O ATOM 327 CB CYS A 21 4.762 -4.591 -3.249 1.00 0.00 C ATOM 328 SG CYS A 21 4.626 -2.805 -2.919 1.00 0.00 S ATOM 0 H CYS A 21 2.906 -5.134 -4.970 1.00 0.00 H new ATOM 0 HA CYS A 21 5.706 -4.242 -5.142 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.856 -5.085 -2.898 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.591 -4.996 -2.668 1.00 0.00 H new ATOM 333 N GLY A 22 4.604 -7.303 -4.844 1.00 0.00 N ATOM 334 CA GLY A 22 4.984 -8.689 -4.970 1.00 0.00 C ATOM 335 C GLY A 22 3.795 -9.607 -4.823 1.00 0.00 C ATOM 336 O GLY A 22 2.652 -9.184 -5.025 1.00 0.00 O ATOM 0 H GLY A 22 3.601 -7.143 -4.747 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.452 -8.852 -5.941 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.729 -8.933 -4.212 1.00 0.00 H new ATOM 340 N ILE A 23 4.055 -10.854 -4.461 1.00 0.00 N ATOM 341 CA ILE A 23 2.997 -11.836 -4.285 1.00 0.00 C ATOM 342 C ILE A 23 2.062 -11.427 -3.154 1.00 0.00 C ATOM 343 O ILE A 23 2.398 -11.569 -1.983 1.00 0.00 O ATOM 344 CB ILE A 23 3.571 -13.242 -3.997 1.00 0.00 C ATOM 345 CG1 ILE A 23 4.534 -13.669 -5.113 1.00 0.00 C ATOM 346 CG2 ILE A 23 2.449 -14.264 -3.844 1.00 0.00 C ATOM 347 CD1 ILE A 23 3.898 -13.721 -6.488 1.00 0.00 C ATOM 0 H ILE A 23 4.994 -11.211 -4.283 1.00 0.00 H new ATOM 0 HA ILE A 23 2.436 -11.875 -5.219 1.00 0.00 H new ATOM 0 HB ILE A 23 4.124 -13.197 -3.059 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.375 -12.976 -5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.939 -14.652 -4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 23 2.876 -15.246 -3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.802 -13.973 -3.017 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.866 -14.305 -4.764 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.642 -14.031 -7.222 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.075 -14.436 -6.482 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.518 -12.734 -6.751 1.00 0.00 H new ATOM 359 N ARG A 24 0.890 -10.914 -3.538 1.00 0.00 N ATOM 360 CA ARG A 24 -0.145 -10.460 -2.600 1.00 0.00 C ATOM 361 C ARG A 24 0.177 -9.099 -1.983 1.00 0.00 C ATOM 362 O ARG A 24 -0.464 -8.702 -1.011 1.00 0.00 O ATOM 363 CB ARG A 24 -0.389 -11.483 -1.480 1.00 0.00 C ATOM 364 CG ARG A 24 -1.517 -12.477 -1.749 1.00 0.00 C ATOM 365 CD ARG A 24 -1.334 -13.247 -3.055 1.00 0.00 C ATOM 366 NE ARG A 24 -1.845 -12.512 -4.221 1.00 0.00 N ATOM 367 CZ ARG A 24 -3.139 -12.230 -4.430 1.00 0.00 C ATOM 368 NH1 ARG A 24 -4.068 -12.653 -3.577 1.00 0.00 N ATOM 369 NH2 ARG A 24 -3.503 -11.536 -5.507 1.00 0.00 N ATOM 0 H ARG A 24 0.629 -10.800 -4.517 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.054 -10.358 -3.193 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.533 -12.040 -1.310 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.611 -10.945 -0.559 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.576 -13.184 -0.922 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.466 -11.942 -1.779 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.275 -13.461 -3.201 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.846 -14.206 -2.982 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.170 -12.195 -4.917 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.798 -13.196 -2.757 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.050 -12.434 -3.743 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.797 -11.219 -6.172 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.487 -11.321 -5.667 1.00 0.00 H new ATOM 383 N PHE A 25 1.131 -8.362 -2.546 1.00 0.00 N ATOM 384 CA PHE A 25 1.455 -7.049 -2.016 1.00 0.00 C ATOM 385 C PHE A 25 1.314 -6.011 -3.108 1.00 0.00 C ATOM 386 O PHE A 25 1.810 -6.194 -4.219 1.00 0.00 O ATOM 387 CB PHE A 25 2.869 -6.998 -1.432 1.00 0.00 C ATOM 388 CG PHE A 25 3.065 -7.858 -0.214 1.00 0.00 C ATOM 389 CD1 PHE A 25 3.136 -9.234 -0.324 1.00 0.00 C ATOM 390 CD2 PHE A 25 3.169 -7.286 1.044 1.00 0.00 C ATOM 391 CE1 PHE A 25 3.305 -10.027 0.792 1.00 0.00 C ATOM 392 CE2 PHE A 25 3.340 -8.075 2.167 1.00 0.00 C ATOM 393 CZ PHE A 25 3.407 -9.447 2.039 1.00 0.00 C ATOM 0 H PHE A 25 1.682 -8.648 -3.355 1.00 0.00 H new ATOM 0 HA PHE A 25 0.757 -6.837 -1.206 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.578 -7.308 -2.200 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.107 -5.966 -1.176 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.058 -9.695 -1.298 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.116 -6.212 1.149 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.357 -11.101 0.689 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.421 -7.618 3.142 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.539 -10.066 2.914 1.00 0.00 H new ATOM 403 N LEU A 26 0.635 -4.937 -2.782 1.00 0.00 N ATOM 404 CA LEU A 26 0.410 -3.851 -3.719 1.00 0.00 C ATOM 405 C LEU A 26 1.075 -2.582 -3.211 1.00 0.00 C ATOM 406 O LEU A 26 1.060 -2.303 -2.015 1.00 0.00 O ATOM 407 CB LEU A 26 -1.088 -3.591 -3.927 1.00 0.00 C ATOM 408 CG LEU A 26 -1.910 -4.768 -4.469 1.00 0.00 C ATOM 409 CD1 LEU A 26 -2.285 -5.737 -3.356 1.00 0.00 C ATOM 410 CD2 LEU A 26 -3.158 -4.259 -5.173 1.00 0.00 C ATOM 0 H LEU A 26 0.221 -4.787 -1.862 1.00 0.00 H new ATOM 0 HA LEU A 26 0.845 -4.141 -4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.518 -3.283 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.198 -2.751 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.294 -5.307 -5.189 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.867 -6.560 -3.771 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.379 -6.130 -2.895 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.878 -5.216 -2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.732 -5.104 -5.553 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.768 -3.693 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.870 -3.614 -6.003 1.00 0.00 H new ATOM 422 N TYR A 27 1.643 -1.816 -4.119 1.00 0.00 N ATOM 423 CA TYR A 27 2.289 -0.567 -3.766 1.00 0.00 C ATOM 424 C TYR A 27 1.250 0.530 -3.847 1.00 0.00 C ATOM 425 O TYR A 27 0.740 0.832 -4.929 1.00 0.00 O ATOM 426 CB TYR A 27 3.449 -0.283 -4.721 1.00 0.00 C ATOM 427 CG TYR A 27 4.475 0.698 -4.194 1.00 0.00 C ATOM 428 CD1 TYR A 27 4.902 0.645 -2.872 1.00 0.00 C ATOM 429 CD2 TYR A 27 5.027 1.665 -5.023 1.00 0.00 C ATOM 430 CE1 TYR A 27 5.847 1.531 -2.394 1.00 0.00 C ATOM 431 CE2 TYR A 27 5.975 2.552 -4.552 1.00 0.00 C ATOM 432 CZ TYR A 27 6.382 2.480 -3.236 1.00 0.00 C ATOM 433 OH TYR A 27 7.322 3.367 -2.763 1.00 0.00 O ATOM 0 H TYR A 27 1.671 -2.038 -5.114 1.00 0.00 H new ATOM 0 HA TYR A 27 2.698 -0.621 -2.757 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.950 -1.223 -4.952 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.045 0.102 -5.657 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.488 -0.100 -2.209 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.710 1.725 -6.054 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.165 1.480 -1.363 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.395 3.298 -5.210 1.00 0.00 H new ATOM 0 HH TYR A 27 7.597 3.969 -3.486 1.00 0.00 H new ATOM 443 N CYS A 28 0.899 1.080 -2.710 1.00 0.00 N ATOM 444 CA CYS A 28 -0.130 2.103 -2.655 1.00 0.00 C ATOM 445 C CYS A 28 0.396 3.416 -2.104 1.00 0.00 C ATOM 446 O CYS A 28 1.182 3.440 -1.160 1.00 0.00 O ATOM 447 CB CYS A 28 -1.286 1.613 -1.789 1.00 0.00 C ATOM 448 SG CYS A 28 -1.715 -0.135 -2.066 1.00 0.00 S ATOM 0 H CYS A 28 1.308 0.840 -1.807 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.469 2.287 -3.674 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.027 1.753 -0.739 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.163 2.229 -1.986 1.00 0.00 H new ATOM 453 N CYS A 29 -0.058 4.508 -2.694 1.00 0.00 N ATOM 454 CA CYS A 29 0.340 5.837 -2.261 1.00 0.00 C ATOM 455 C CYS A 29 -0.862 6.549 -1.658 1.00 0.00 C ATOM 456 O CYS A 29 -1.878 6.729 -2.328 1.00 0.00 O ATOM 457 CB CYS A 29 0.880 6.646 -3.440 1.00 0.00 C ATOM 458 SG CYS A 29 2.108 5.761 -4.457 1.00 0.00 S ATOM 0 H CYS A 29 -0.708 4.500 -3.480 1.00 0.00 H new ATOM 0 HA CYS A 29 1.129 5.745 -1.514 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.045 6.942 -4.075 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.332 7.562 -3.060 1.00 0.00 H new ATOM 463 N PRO A 30 -0.773 6.957 -0.385 1.00 0.00 N ATOM 464 CA PRO A 30 -1.866 7.649 0.301 1.00 0.00 C ATOM 465 C PRO A 30 -2.252 8.944 -0.400 1.00 0.00 C ATOM 466 O PRO A 30 -1.399 9.643 -0.946 1.00 0.00 O ATOM 467 CB PRO A 30 -1.302 7.942 1.692 1.00 0.00 C ATOM 468 CG PRO A 30 -0.179 6.978 1.860 1.00 0.00 C ATOM 469 CD PRO A 30 0.392 6.769 0.490 1.00 0.00 C ATOM 0 HA PRO A 30 -2.775 7.048 0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.954 8.972 1.768 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.060 7.804 2.463 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.575 7.372 2.541 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.532 6.038 2.284 1.00 0.00 H new ATOM 0 HD2 PRO A 30 1.183 7.486 0.269 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.823 5.774 0.380 1.00 0.00 H new ATOM 477 N ARG A 31 -3.545 9.245 -0.384 1.00 0.00 N ATOM 478 CA ARG A 31 -4.072 10.452 -1.020 1.00 0.00 C ATOM 479 C ARG A 31 -3.489 11.715 -0.385 1.00 0.00 C ATOM 480 O ARG A 31 -3.440 12.769 -1.016 1.00 0.00 O ATOM 481 CB ARG A 31 -5.601 10.475 -0.943 1.00 0.00 C ATOM 482 CG ARG A 31 -6.152 10.209 0.450 1.00 0.00 C ATOM 483 CD ARG A 31 -7.669 10.137 0.442 1.00 0.00 C ATOM 484 NE ARG A 31 -8.199 9.540 1.671 1.00 0.00 N ATOM 485 CZ ARG A 31 -9.500 9.390 1.928 1.00 0.00 C ATOM 486 NH1 ARG A 31 -10.408 9.848 1.072 1.00 0.00 N ATOM 487 NH2 ARG A 31 -9.894 8.781 3.044 1.00 0.00 N ATOM 0 H ARG A 31 -4.255 8.666 0.066 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.773 10.434 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.958 11.447 -1.285 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.001 9.729 -1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.744 9.273 0.832 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.827 10.998 1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.078 11.140 0.321 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.999 9.552 -0.416 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.532 9.219 2.373 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.111 10.316 0.216 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.401 9.732 1.272 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -9.201 8.428 3.704 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.889 8.667 3.239 1.00 0.00 H new ATOM 501 N ARG A 32 -3.041 11.591 0.857 1.00 0.00 N ATOM 502 CA ARG A 32 -2.444 12.698 1.584 1.00 0.00 C ATOM 503 C ARG A 32 -1.744 12.146 2.814 1.00 0.00 C ATOM 504 O ARG A 32 -0.941 12.872 3.435 1.00 0.00 O ATOM 505 CB ARG A 32 -3.497 13.736 1.991 1.00 0.00 C ATOM 506 CG ARG A 32 -4.455 13.262 3.072 1.00 0.00 C ATOM 507 CD ARG A 32 -5.470 14.337 3.417 1.00 0.00 C ATOM 508 NE ARG A 32 -6.267 13.989 4.597 1.00 0.00 N ATOM 509 CZ ARG A 32 -7.267 14.737 5.067 1.00 0.00 C ATOM 510 NH1 ARG A 32 -7.618 15.854 4.434 1.00 0.00 N ATOM 511 NH2 ARG A 32 -7.919 14.366 6.165 1.00 0.00 N ATOM 512 OXT ARG A 32 -1.989 10.966 3.146 1.00 0.00 O ATOM 0 H ARG A 32 -3.082 10.720 1.387 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.727 13.203 0.937 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.989 14.635 2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -4.073 14.018 1.109 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.973 12.364 2.734 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.893 12.989 3.965 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.952 15.279 3.596 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -6.133 14.494 2.566 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.044 13.123 5.088 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.122 16.139 3.589 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.383 16.425 4.794 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.655 13.508 6.650 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.683 14.939 6.523 1.00 0.00 H new TER 526 ARG A 32