USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 264 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+ -103:sc= 0.0415 (180deg=0) USER MOD Single : A 5 TYR OH : rot -81:sc= 2.04 USER MOD Single : A 8 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0408) USER MOD Single : A 10 HIS : no HD1:sc= -0.0585 X(o=-0.059,f=-0.49) USER MOD Single : A 12 LYS NZ :NH3+ 154:sc= 0.156 (180deg=-0.127) 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 3.422 11.667 -1.423 1.00 0.00 N ATOM 2 CA GLY A 1 3.081 10.681 -0.369 1.00 0.00 C ATOM 3 C GLY A 1 3.996 10.826 0.821 1.00 0.00 C ATOM 4 O GLY A 1 5.166 11.157 0.653 1.00 0.00 O ATOM 0 H1 GLY A 1 2.733 12.446 -1.406 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.375 12.045 -1.250 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.397 11.203 -2.353 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.046 10.821 -0.056 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.159 9.671 -0.772 1.00 0.00 H new ATOM 10 N LEU A 2 3.464 10.602 2.015 1.00 0.00 N ATOM 11 CA LEU A 2 4.249 10.726 3.240 1.00 0.00 C ATOM 12 C LEU A 2 5.284 9.610 3.340 1.00 0.00 C ATOM 13 O LEU A 2 6.401 9.824 3.801 1.00 0.00 O ATOM 14 CB LEU A 2 3.343 10.726 4.481 1.00 0.00 C ATOM 15 CG LEU A 2 2.474 9.478 4.692 1.00 0.00 C ATOM 16 CD1 LEU A 2 2.097 9.343 6.158 1.00 0.00 C ATOM 17 CD2 LEU A 2 1.215 9.544 3.838 1.00 0.00 C ATOM 0 H LEU A 2 2.491 10.333 2.163 1.00 0.00 H new ATOM 0 HA LEU A 2 4.774 11.681 3.200 1.00 0.00 H new ATOM 0 HB2 LEU A 2 3.971 10.858 5.362 1.00 0.00 H new ATOM 0 HB3 LEU A 2 2.686 11.594 4.424 1.00 0.00 H new ATOM 0 HG LEU A 2 3.053 8.605 4.389 1.00 0.00 H new ATOM 0 HD11 LEU A 2 1.481 8.454 6.295 1.00 0.00 H new ATOM 0 HD12 LEU A 2 3.002 9.254 6.760 1.00 0.00 H new ATOM 0 HD13 LEU A 2 1.538 10.224 6.473 1.00 0.00 H new ATOM 0 HD21 LEU A 2 0.615 8.649 4.004 1.00 0.00 H new ATOM 0 HD22 LEU A 2 0.635 10.425 4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 2 1.492 9.605 2.786 1.00 0.00 H new ATOM 29 N LEU A 3 4.896 8.426 2.895 1.00 0.00 N ATOM 30 CA LEU A 3 5.773 7.262 2.918 1.00 0.00 C ATOM 31 C LEU A 3 5.212 6.158 2.031 1.00 0.00 C ATOM 32 O LEU A 3 4.254 6.379 1.288 1.00 0.00 O ATOM 33 CB LEU A 3 5.970 6.762 4.363 1.00 0.00 C ATOM 34 CG LEU A 3 4.697 6.633 5.212 1.00 0.00 C ATOM 35 CD1 LEU A 3 3.948 5.345 4.900 1.00 0.00 C ATOM 36 CD2 LEU A 3 5.040 6.703 6.692 1.00 0.00 C ATOM 0 H LEU A 3 3.970 8.243 2.509 1.00 0.00 H new ATOM 0 HA LEU A 3 6.748 7.552 2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.458 5.788 4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 3 6.654 7.442 4.871 1.00 0.00 H new ATOM 0 HG LEU A 3 4.042 7.467 4.961 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.052 5.286 5.519 1.00 0.00 H new ATOM 0 HD12 LEU A 3 3.664 5.335 3.848 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.591 4.490 5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 3 4.128 6.610 7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 3 5.721 5.891 6.947 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.517 7.658 6.910 1.00 0.00 H new ATOM 48 N CYS A 4 5.809 4.981 2.123 1.00 0.00 N ATOM 49 CA CYS A 4 5.389 3.821 1.346 1.00 0.00 C ATOM 50 C CYS A 4 5.553 2.560 2.185 1.00 0.00 C ATOM 51 O CYS A 4 6.409 2.514 3.069 1.00 0.00 O ATOM 52 CB CYS A 4 6.215 3.701 0.062 1.00 0.00 C ATOM 53 SG CYS A 4 5.934 5.035 -1.149 1.00 0.00 S ATOM 0 H CYS A 4 6.601 4.800 2.740 1.00 0.00 H new ATOM 0 HA CYS A 4 4.341 3.945 1.071 1.00 0.00 H new ATOM 0 HB2 CYS A 4 7.272 3.685 0.326 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.990 2.745 -0.411 1.00 0.00 H new ATOM 58 N TYR A 5 4.732 1.547 1.924 1.00 0.00 N ATOM 59 CA TYR A 5 4.798 0.304 2.672 1.00 0.00 C ATOM 60 C TYR A 5 4.086 -0.815 1.923 1.00 0.00 C ATOM 61 O TYR A 5 3.315 -0.571 0.994 1.00 0.00 O ATOM 62 CB TYR A 5 4.189 0.481 4.075 1.00 0.00 C ATOM 63 CG TYR A 5 2.719 0.862 4.085 1.00 0.00 C ATOM 64 CD1 TYR A 5 1.740 -0.046 3.698 1.00 0.00 C ATOM 65 CD2 TYR A 5 2.314 2.130 4.481 1.00 0.00 C ATOM 66 CE1 TYR A 5 0.406 0.297 3.705 1.00 0.00 C ATOM 67 CE2 TYR A 5 0.977 2.480 4.490 1.00 0.00 C ATOM 68 CZ TYR A 5 0.029 1.559 4.100 1.00 0.00 C ATOM 69 OH TYR A 5 -1.305 1.899 4.105 1.00 0.00 O ATOM 0 H TYR A 5 4.014 1.566 1.199 1.00 0.00 H new ATOM 0 HA TYR A 5 5.847 0.031 2.782 1.00 0.00 H new ATOM 0 HB2 TYR A 5 4.313 -0.449 4.630 1.00 0.00 H new ATOM 0 HB3 TYR A 5 4.753 1.247 4.607 1.00 0.00 H new ATOM 0 HD1 TYR A 5 2.031 -1.038 3.386 1.00 0.00 H new ATOM 0 HD2 TYR A 5 3.055 2.854 4.787 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.341 -0.422 3.402 1.00 0.00 H new ATOM 0 HE2 TYR A 5 0.677 3.470 4.801 1.00 0.00 H new ATOM 0 HH TYR A 5 -1.584 2.144 3.198 1.00 0.00 H new ATOM 79 N CYS A 6 4.347 -2.034 2.342 1.00 0.00 N ATOM 80 CA CYS A 6 3.734 -3.208 1.739 1.00 0.00 C ATOM 81 C CYS A 6 2.467 -3.593 2.500 1.00 0.00 C ATOM 82 O CYS A 6 2.371 -3.362 3.707 1.00 0.00 O ATOM 83 CB CYS A 6 4.716 -4.376 1.733 1.00 0.00 C ATOM 84 SG CYS A 6 4.080 -5.848 0.883 1.00 0.00 S ATOM 0 H CYS A 6 4.987 -2.244 3.108 1.00 0.00 H new ATOM 0 HA CYS A 6 3.468 -2.969 0.709 1.00 0.00 H new ATOM 0 HB2 CYS A 6 5.642 -4.060 1.253 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.964 -4.638 2.762 1.00 0.00 H new ATOM 89 N ARG A 7 1.499 -4.181 1.804 1.00 0.00 N ATOM 90 CA ARG A 7 0.255 -4.589 2.441 1.00 0.00 C ATOM 91 C ARG A 7 -0.360 -5.763 1.692 1.00 0.00 C ATOM 92 O ARG A 7 -0.501 -5.729 0.470 1.00 0.00 O ATOM 93 CB ARG A 7 -0.730 -3.414 2.504 1.00 0.00 C ATOM 94 CG ARG A 7 -1.963 -3.693 3.351 1.00 0.00 C ATOM 95 CD ARG A 7 -2.947 -2.529 3.323 1.00 0.00 C ATOM 96 NE ARG A 7 -2.464 -1.347 4.044 1.00 0.00 N ATOM 97 CZ ARG A 7 -2.439 -1.230 5.375 1.00 0.00 C ATOM 98 NH1 ARG A 7 -2.865 -2.225 6.147 1.00 0.00 N ATOM 99 NH2 ARG A 7 -2.002 -0.104 5.931 1.00 0.00 N ATOM 0 H ARG A 7 1.552 -4.384 0.806 1.00 0.00 H new ATOM 0 HA ARG A 7 0.475 -4.904 3.461 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.215 -2.541 2.905 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.045 -3.161 1.492 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.457 -4.594 2.988 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -1.660 -3.888 4.380 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.149 -2.257 2.287 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.893 -2.851 3.758 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.124 -0.560 3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.214 -3.085 5.724 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.843 -2.128 7.162 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.687 0.667 5.342 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.982 -0.011 6.947 1.00 0.00 H new ATOM 113 N LYS A 8 -0.717 -6.804 2.426 1.00 0.00 N ATOM 114 CA LYS A 8 -1.308 -7.989 1.822 1.00 0.00 C ATOM 115 C LYS A 8 -2.775 -7.763 1.471 1.00 0.00 C ATOM 116 O LYS A 8 -3.513 -7.102 2.208 1.00 0.00 O ATOM 117 CB LYS A 8 -1.168 -9.208 2.744 1.00 0.00 C ATOM 118 CG LYS A 8 -1.870 -9.071 4.087 1.00 0.00 C ATOM 119 CD LYS A 8 -1.843 -10.386 4.854 1.00 0.00 C ATOM 120 CE LYS A 8 -2.573 -10.281 6.185 1.00 0.00 C ATOM 121 NZ LYS A 8 -1.874 -9.377 7.139 1.00 0.00 N ATOM 0 H LYS A 8 -0.609 -6.854 3.439 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.762 -8.186 0.899 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.564 -10.083 2.230 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.109 -9.394 2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -1.386 -8.292 4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.902 -8.758 3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -2.301 -11.169 4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.809 -10.683 5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.585 -9.914 6.015 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.664 -11.273 6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.338 -9.427 8.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.881 -9.671 7.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.914 -8.400 6.784 1.00 0.00 H new ATOM 135 N GLY A 9 -3.189 -8.329 0.349 1.00 0.00 N ATOM 136 CA GLY A 9 -4.564 -8.210 -0.093 1.00 0.00 C ATOM 137 C GLY A 9 -4.817 -7.015 -0.984 1.00 0.00 C ATOM 138 O GLY A 9 -5.222 -7.172 -2.133 1.00 0.00 O ATOM 0 H GLY A 9 -2.590 -8.875 -0.271 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.843 -9.117 -0.629 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.212 -8.144 0.781 1.00 0.00 H new ATOM 142 N HIS A 10 -4.589 -5.825 -0.452 1.00 0.00 N ATOM 143 CA HIS A 10 -4.803 -4.583 -1.200 1.00 0.00 C ATOM 144 C HIS A 10 -4.394 -3.376 -0.370 1.00 0.00 C ATOM 145 O HIS A 10 -4.281 -3.468 0.849 1.00 0.00 O ATOM 146 CB HIS A 10 -6.273 -4.431 -1.631 1.00 0.00 C ATOM 147 CG HIS A 10 -7.249 -4.308 -0.493 1.00 0.00 C ATOM 148 ND1 HIS A 10 -7.423 -5.288 0.464 1.00 0.00 N ATOM 149 CD2 HIS A 10 -8.108 -3.313 -0.168 1.00 0.00 C ATOM 150 CE1 HIS A 10 -8.345 -4.900 1.326 1.00 0.00 C ATOM 151 NE2 HIS A 10 -8.777 -3.707 0.966 1.00 0.00 N ATOM 0 H HIS A 10 -4.253 -5.686 0.501 1.00 0.00 H new ATOM 0 HA HIS A 10 -4.181 -4.635 -2.094 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.363 -3.550 -2.266 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.551 -5.292 -2.239 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.242 -2.383 -0.701 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -8.687 -5.464 2.181 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -9.492 -3.165 1.451 1.00 0.00 H new ATOM 160 N CYS A 11 -4.184 -2.254 -1.046 1.00 0.00 N ATOM 161 CA CYS A 11 -3.792 -1.004 -0.393 1.00 0.00 C ATOM 162 C CYS A 11 -4.900 -0.477 0.518 1.00 0.00 C ATOM 163 O CYS A 11 -6.040 -0.948 0.474 1.00 0.00 O ATOM 164 CB CYS A 11 -3.471 0.057 -1.446 1.00 0.00 C ATOM 165 SG CYS A 11 -2.322 -0.500 -2.749 1.00 0.00 S ATOM 0 H CYS A 11 -4.279 -2.181 -2.059 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.911 -1.212 0.214 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.401 0.382 -1.913 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.043 0.928 -0.949 1.00 0.00 H new ATOM 170 N LYS A 12 -4.560 0.525 1.321 1.00 0.00 N ATOM 171 CA LYS A 12 -5.520 1.151 2.221 1.00 0.00 C ATOM 172 C LYS A 12 -6.427 2.078 1.414 1.00 0.00 C ATOM 173 O LYS A 12 -6.025 2.565 0.356 1.00 0.00 O ATOM 174 CB LYS A 12 -4.781 1.914 3.338 1.00 0.00 C ATOM 175 CG LYS A 12 -5.692 2.594 4.358 1.00 0.00 C ATOM 176 CD LYS A 12 -5.716 4.107 4.171 1.00 0.00 C ATOM 177 CE LYS A 12 -4.435 4.758 4.673 1.00 0.00 C ATOM 178 NZ LYS A 12 -4.098 5.982 3.902 1.00 0.00 N ATOM 0 H LYS A 12 -3.622 0.922 1.366 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.137 0.389 2.698 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.127 1.218 3.863 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.142 2.670 2.881 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.704 2.199 4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.351 2.357 5.366 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -5.853 4.341 3.115 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.570 4.526 4.704 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -4.546 5.012 5.727 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -3.613 4.046 4.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.529 6.620 4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.555 5.720 3.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -4.974 6.464 3.616 1.00 0.00 H new ATOM 192 N ARG A 13 -7.646 2.301 1.896 1.00 0.00 N ATOM 193 CA ARG A 13 -8.610 3.158 1.207 1.00 0.00 C ATOM 194 C ARG A 13 -8.134 4.611 1.224 1.00 0.00 C ATOM 195 O ARG A 13 -8.568 5.418 2.044 1.00 0.00 O ATOM 196 CB ARG A 13 -9.990 3.026 1.863 1.00 0.00 C ATOM 197 CG ARG A 13 -11.172 3.314 0.939 1.00 0.00 C ATOM 198 CD ARG A 13 -11.302 4.792 0.599 1.00 0.00 C ATOM 199 NE ARG A 13 -12.552 5.092 -0.107 1.00 0.00 N ATOM 200 CZ ARG A 13 -12.837 4.694 -1.352 1.00 0.00 C ATOM 201 NH1 ARG A 13 -11.935 4.032 -2.072 1.00 0.00 N ATOM 202 NH2 ARG A 13 -14.024 4.975 -1.881 1.00 0.00 N ATOM 0 H ARG A 13 -7.993 1.898 2.766 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.691 2.840 0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.094 2.015 2.257 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.038 3.706 2.713 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.057 2.742 0.018 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.092 2.972 1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.255 5.379 1.516 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.457 5.097 -0.018 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.254 5.643 0.386 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.018 3.824 -1.675 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.160 3.732 -3.021 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.715 5.493 -1.338 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.244 4.673 -2.830 1.00 0.00 H new ATOM 216 N GLY A 14 -7.219 4.912 0.324 1.00 0.00 N ATOM 217 CA GLY A 14 -6.653 6.238 0.229 1.00 0.00 C ATOM 218 C GLY A 14 -5.254 6.191 -0.343 1.00 0.00 C ATOM 219 O GLY A 14 -4.715 7.203 -0.789 1.00 0.00 O ATOM 0 H GLY A 14 -6.851 4.248 -0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.286 6.863 -0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.631 6.699 1.216 1.00 0.00 H new ATOM 223 N ASP A 15 -4.665 5.003 -0.313 1.00 0.00 N ATOM 224 CA ASP A 15 -3.312 4.787 -0.811 1.00 0.00 C ATOM 225 C ASP A 15 -3.293 4.665 -2.330 1.00 0.00 C ATOM 226 O ASP A 15 -4.313 4.846 -3.001 1.00 0.00 O ATOM 227 CB ASP A 15 -2.737 3.507 -0.192 1.00 0.00 C ATOM 228 CG ASP A 15 -2.436 3.648 1.286 1.00 0.00 C ATOM 229 OD1 ASP A 15 -3.199 4.337 1.991 1.00 0.00 O ATOM 230 OD2 ASP A 15 -1.455 3.043 1.753 1.00 0.00 O ATOM 0 H ASP A 15 -5.110 4.163 0.056 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.705 5.647 -0.529 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.444 2.690 -0.337 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -1.823 3.234 -0.719 1.00 0.00 H new ATOM 235 N ARG A 16 -2.126 4.336 -2.859 1.00 0.00 N ATOM 236 CA ARG A 16 -1.949 4.158 -4.291 1.00 0.00 C ATOM 237 C ARG A 16 -0.973 3.016 -4.535 1.00 0.00 C ATOM 238 O ARG A 16 0.080 2.948 -3.900 1.00 0.00 O ATOM 239 CB ARG A 16 -1.443 5.446 -4.949 1.00 0.00 C ATOM 240 CG ARG A 16 -1.417 5.384 -6.470 1.00 0.00 C ATOM 241 CD ARG A 16 -2.803 5.111 -7.041 1.00 0.00 C ATOM 242 NE ARG A 16 -2.783 4.959 -8.498 1.00 0.00 N ATOM 243 CZ ARG A 16 -3.863 4.685 -9.236 1.00 0.00 C ATOM 244 NH1 ARG A 16 -5.050 4.539 -8.654 1.00 0.00 N ATOM 245 NH2 ARG A 16 -3.753 4.556 -10.555 1.00 0.00 N ATOM 0 H ARG A 16 -1.279 4.185 -2.311 1.00 0.00 H new ATOM 0 HA ARG A 16 -2.913 3.917 -4.739 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.077 6.276 -4.638 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -0.438 5.659 -4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.038 6.325 -6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.729 4.602 -6.792 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.208 4.206 -6.589 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.472 5.928 -6.772 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.890 5.069 -8.979 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.137 4.636 -7.642 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.873 4.330 -9.219 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -2.844 4.666 -11.004 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.578 4.347 -11.118 1.00 0.00 H new ATOM 259 N VAL A 17 -1.342 2.111 -5.429 1.00 0.00 N ATOM 260 CA VAL A 17 -0.516 0.950 -5.740 1.00 0.00 C ATOM 261 C VAL A 17 0.759 1.348 -6.485 1.00 0.00 C ATOM 262 O VAL A 17 0.736 2.205 -7.373 1.00 0.00 O ATOM 263 CB VAL A 17 -1.292 -0.074 -6.602 1.00 0.00 C ATOM 264 CG1 VAL A 17 -0.551 -1.402 -6.668 1.00 0.00 C ATOM 265 CG2 VAL A 17 -2.706 -0.269 -6.077 1.00 0.00 C ATOM 0 H VAL A 17 -2.214 2.158 -5.956 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.247 0.497 -4.786 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.361 0.325 -7.614 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.117 -2.105 -7.280 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.434 -1.248 -7.110 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.438 -1.806 -5.662 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.229 -0.994 -6.701 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.666 -0.636 -5.051 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.238 0.682 -6.102 1.00 0.00 H new ATOM 275 N ARG A 18 1.864 0.711 -6.120 1.00 0.00 N ATOM 276 CA ARG A 18 3.155 0.962 -6.750 1.00 0.00 C ATOM 277 C ARG A 18 3.715 -0.313 -7.360 1.00 0.00 C ATOM 278 O ARG A 18 4.332 -0.283 -8.420 1.00 0.00 O ATOM 279 CB ARG A 18 4.161 1.558 -5.759 1.00 0.00 C ATOM 280 CG ARG A 18 4.180 3.077 -5.747 1.00 0.00 C ATOM 281 CD ARG A 18 2.855 3.670 -5.297 1.00 0.00 C ATOM 282 NE ARG A 18 2.765 5.093 -5.618 1.00 0.00 N ATOM 283 CZ ARG A 18 2.566 5.567 -6.850 1.00 0.00 C ATOM 284 NH1 ARG A 18 2.285 4.736 -7.851 1.00 0.00 N ATOM 285 NH2 ARG A 18 2.613 6.876 -7.074 1.00 0.00 N ATOM 0 H ARG A 18 1.892 0.008 -5.382 1.00 0.00 H new ATOM 0 HA ARG A 18 2.992 1.691 -7.544 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.927 1.199 -4.757 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.158 1.193 -6.004 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.973 3.422 -5.084 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.418 3.442 -6.746 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.035 3.136 -5.777 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.740 3.531 -4.222 1.00 0.00 H new ATOM 0 HE ARG A 18 2.860 5.764 -4.855 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.221 3.733 -7.678 1.00 0.00 H new ATOM 0 HH12 ARG A 18 2.134 5.102 -8.791 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.801 7.519 -6.305 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.461 7.238 -8.015 1.00 0.00 H new ATOM 299 N GLY A 19 3.491 -1.429 -6.687 1.00 0.00 N ATOM 300 CA GLY A 19 3.977 -2.700 -7.188 1.00 0.00 C ATOM 301 C GLY A 19 3.539 -3.865 -6.331 1.00 0.00 C ATOM 302 O GLY A 19 2.510 -3.796 -5.660 1.00 0.00 O ATOM 0 H GLY A 19 2.983 -1.480 -5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.618 -2.847 -8.206 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.066 -2.676 -7.235 1.00 0.00 H new ATOM 306 N THR A 20 4.323 -4.931 -6.348 1.00 0.00 N ATOM 307 CA THR A 20 4.025 -6.125 -5.571 1.00 0.00 C ATOM 308 C THR A 20 5.228 -6.527 -4.729 1.00 0.00 C ATOM 309 O THR A 20 6.369 -6.315 -5.133 1.00 0.00 O ATOM 310 CB THR A 20 3.638 -7.305 -6.483 1.00 0.00 C ATOM 311 OG1 THR A 20 4.588 -7.427 -7.552 1.00 0.00 O ATOM 312 CG2 THR A 20 2.240 -7.124 -7.057 1.00 0.00 C ATOM 0 H THR A 20 5.180 -4.994 -6.898 1.00 0.00 H new ATOM 0 HA THR A 20 3.182 -5.888 -4.922 1.00 0.00 H new ATOM 0 HB THR A 20 3.644 -8.214 -5.881 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.338 -8.180 -8.128 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.996 -7.973 -7.696 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.518 -7.063 -6.243 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.204 -6.206 -7.644 1.00 0.00 H new ATOM 320 N CYS A 21 4.972 -7.106 -3.566 1.00 0.00 N ATOM 321 CA CYS A 21 6.053 -7.534 -2.685 1.00 0.00 C ATOM 322 C CYS A 21 6.271 -9.031 -2.814 1.00 0.00 C ATOM 323 O CYS A 21 7.395 -9.504 -2.963 1.00 0.00 O ATOM 324 CB CYS A 21 5.723 -7.211 -1.233 1.00 0.00 C ATOM 325 SG CYS A 21 4.803 -5.662 -1.001 1.00 0.00 S ATOM 0 H CYS A 21 4.034 -7.290 -3.210 1.00 0.00 H new ATOM 0 HA CYS A 21 6.957 -7.000 -2.978 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.141 -8.032 -0.814 1.00 0.00 H new ATOM 0 HB3 CYS A 21 6.652 -7.157 -0.665 1.00 0.00 H new ATOM 330 N GLY A 22 5.175 -9.769 -2.748 1.00 0.00 N ATOM 331 CA GLY A 22 5.242 -11.206 -2.849 1.00 0.00 C ATOM 332 C GLY A 22 3.871 -11.827 -2.959 1.00 0.00 C ATOM 333 O GLY A 22 2.936 -11.194 -3.458 1.00 0.00 O ATOM 0 H GLY A 22 4.235 -9.393 -2.625 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.836 -11.481 -3.720 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.753 -11.608 -1.974 1.00 0.00 H new ATOM 337 N ILE A 23 3.760 -13.065 -2.496 1.00 0.00 N ATOM 338 CA ILE A 23 2.509 -13.813 -2.542 1.00 0.00 C ATOM 339 C ILE A 23 1.352 -13.078 -1.862 1.00 0.00 C ATOM 340 O ILE A 23 1.184 -13.140 -0.648 1.00 0.00 O ATOM 341 CB ILE A 23 2.667 -15.221 -1.922 1.00 0.00 C ATOM 342 CG1 ILE A 23 3.410 -15.150 -0.580 1.00 0.00 C ATOM 343 CG2 ILE A 23 3.396 -16.143 -2.892 1.00 0.00 C ATOM 344 CD1 ILE A 23 3.513 -16.482 0.134 1.00 0.00 C ATOM 0 H ILE A 23 4.535 -13.580 -2.078 1.00 0.00 H new ATOM 0 HA ILE A 23 2.263 -13.913 -3.599 1.00 0.00 H new ATOM 0 HB ILE A 23 1.673 -15.627 -1.733 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.414 -14.762 -0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.900 -14.439 0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.502 -17.131 -2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.825 -16.222 -3.817 1.00 0.00 H new ATOM 0 HG23 ILE A 23 4.383 -15.736 -3.109 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.050 -16.351 1.073 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.513 -16.863 0.339 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.050 -17.192 -0.495 1.00 0.00 H new ATOM 356 N ARG A 24 0.552 -12.407 -2.688 1.00 0.00 N ATOM 357 CA ARG A 24 -0.627 -11.657 -2.246 1.00 0.00 C ATOM 358 C ARG A 24 -0.285 -10.385 -1.462 1.00 0.00 C ATOM 359 O ARG A 24 -1.110 -9.903 -0.686 1.00 0.00 O ATOM 360 CB ARG A 24 -1.565 -12.545 -1.417 1.00 0.00 C ATOM 361 CG ARG A 24 -2.103 -13.746 -2.181 1.00 0.00 C ATOM 362 CD ARG A 24 -3.019 -14.599 -1.315 1.00 0.00 C ATOM 363 NE ARG A 24 -4.227 -13.879 -0.893 1.00 0.00 N ATOM 364 CZ ARG A 24 -5.224 -13.524 -1.713 1.00 0.00 C ATOM 365 NH1 ARG A 24 -5.180 -13.843 -3.004 1.00 0.00 N ATOM 366 NH2 ARG A 24 -6.271 -12.859 -1.233 1.00 0.00 N ATOM 0 H ARG A 24 0.704 -12.367 -3.696 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.133 -11.340 -3.158 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.032 -12.896 -0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.403 -11.944 -1.065 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.648 -13.403 -3.060 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.271 -14.353 -2.538 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.308 -15.493 -1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.472 -14.933 -0.433 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.313 -13.632 0.093 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.383 -14.361 -3.374 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.943 -13.569 -3.623 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.313 -12.621 -0.242 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.032 -12.587 -1.856 1.00 0.00 H new ATOM 380 N PHE A 25 0.890 -9.800 -1.698 1.00 0.00 N ATOM 381 CA PHE A 25 1.242 -8.547 -1.026 1.00 0.00 C ATOM 382 C PHE A 25 1.497 -7.476 -2.061 1.00 0.00 C ATOM 383 O PHE A 25 2.226 -7.696 -3.033 1.00 0.00 O ATOM 384 CB PHE A 25 2.472 -8.651 -0.120 1.00 0.00 C ATOM 385 CG PHE A 25 2.302 -9.504 1.110 1.00 0.00 C ATOM 386 CD1 PHE A 25 1.963 -10.842 1.017 1.00 0.00 C ATOM 387 CD2 PHE A 25 2.487 -8.953 2.368 1.00 0.00 C ATOM 388 CE1 PHE A 25 1.811 -11.616 2.153 1.00 0.00 C ATOM 389 CE2 PHE A 25 2.336 -9.720 3.507 1.00 0.00 C ATOM 390 CZ PHE A 25 1.998 -11.053 3.399 1.00 0.00 C ATOM 0 H PHE A 25 1.600 -10.163 -2.334 1.00 0.00 H new ATOM 0 HA PHE A 25 0.395 -8.299 -0.387 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.300 -9.050 -0.706 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.757 -7.646 0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.815 -11.288 0.045 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.753 -7.910 2.459 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.546 -12.659 2.065 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.482 -9.277 4.481 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.880 -11.655 4.288 1.00 0.00 H new ATOM 400 N LEU A 26 0.907 -6.323 -1.846 1.00 0.00 N ATOM 401 CA LEU A 26 1.067 -5.208 -2.753 1.00 0.00 C ATOM 402 C LEU A 26 1.872 -4.106 -2.116 1.00 0.00 C ATOM 403 O LEU A 26 1.736 -3.814 -0.928 1.00 0.00 O ATOM 404 CB LEU A 26 -0.285 -4.659 -3.193 1.00 0.00 C ATOM 405 CG LEU A 26 -1.078 -5.576 -4.114 1.00 0.00 C ATOM 406 CD1 LEU A 26 -2.559 -5.245 -4.057 1.00 0.00 C ATOM 407 CD2 LEU A 26 -0.568 -5.461 -5.542 1.00 0.00 C ATOM 0 H LEU A 26 0.307 -6.131 -1.044 1.00 0.00 H new ATOM 0 HA LEU A 26 1.600 -5.577 -3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.884 -4.453 -2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.127 -3.707 -3.700 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.942 -6.603 -3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.107 -5.912 -4.723 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.921 -5.372 -3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.713 -4.213 -4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.145 -6.122 -6.189 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.677 -4.432 -5.885 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.484 -5.746 -5.577 1.00 0.00 H new ATOM 419 N TYR A 27 2.675 -3.479 -2.931 1.00 0.00 N ATOM 420 CA TYR A 27 3.484 -2.364 -2.495 1.00 0.00 C ATOM 421 C TYR A 27 2.705 -1.100 -2.787 1.00 0.00 C ATOM 422 O TYR A 27 2.417 -0.799 -3.950 1.00 0.00 O ATOM 423 CB TYR A 27 4.834 -2.347 -3.213 1.00 0.00 C ATOM 424 CG TYR A 27 5.767 -1.261 -2.726 1.00 0.00 C ATOM 425 CD1 TYR A 27 5.996 -1.070 -1.369 1.00 0.00 C ATOM 426 CD2 TYR A 27 6.415 -0.423 -3.625 1.00 0.00 C ATOM 427 CE1 TYR A 27 6.845 -0.076 -0.922 1.00 0.00 C ATOM 428 CE2 TYR A 27 7.266 0.572 -3.186 1.00 0.00 C ATOM 429 CZ TYR A 27 7.477 0.742 -1.834 1.00 0.00 C ATOM 430 OH TYR A 27 8.323 1.732 -1.393 1.00 0.00 O ATOM 0 H TYR A 27 2.790 -3.722 -3.915 1.00 0.00 H new ATOM 0 HA TYR A 27 3.696 -2.447 -1.429 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.318 -3.315 -3.082 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.666 -2.217 -4.282 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.502 -1.709 -0.652 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.250 -0.552 -4.685 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.013 0.059 0.136 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.764 1.214 -3.898 1.00 0.00 H new ATOM 0 HH TYR A 27 8.688 2.217 -2.162 1.00 0.00 H new ATOM 440 N CYS A 28 2.323 -0.388 -1.745 1.00 0.00 N ATOM 441 CA CYS A 28 1.530 0.813 -1.915 1.00 0.00 C ATOM 442 C CYS A 28 2.156 2.008 -1.223 1.00 0.00 C ATOM 443 O CYS A 28 3.065 1.879 -0.402 1.00 0.00 O ATOM 444 CB CYS A 28 0.126 0.603 -1.348 1.00 0.00 C ATOM 445 SG CYS A 28 -0.631 -1.005 -1.750 1.00 0.00 S ATOM 0 H CYS A 28 2.547 -0.619 -0.777 1.00 0.00 H new ATOM 0 HA CYS A 28 1.483 1.015 -2.985 1.00 0.00 H new ATOM 0 HB2 CYS A 28 0.168 0.707 -0.264 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.523 1.396 -1.719 1.00 0.00 H new ATOM 450 N CYS A 29 1.624 3.167 -1.545 1.00 0.00 N ATOM 451 CA CYS A 29 2.062 4.414 -0.953 1.00 0.00 C ATOM 452 C CYS A 29 0.837 5.258 -0.648 1.00 0.00 C ATOM 453 O CYS A 29 0.061 5.586 -1.553 1.00 0.00 O ATOM 454 CB CYS A 29 2.994 5.178 -1.896 1.00 0.00 C ATOM 455 SG CYS A 29 4.505 4.277 -2.374 1.00 0.00 S ATOM 0 H CYS A 29 0.873 3.272 -2.227 1.00 0.00 H new ATOM 0 HA CYS A 29 2.616 4.199 -0.039 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.441 5.437 -2.799 1.00 0.00 H new ATOM 0 HB3 CYS A 29 3.282 6.115 -1.419 1.00 0.00 H new ATOM 460 N PRO A 30 0.621 5.588 0.629 1.00 0.00 N ATOM 461 CA PRO A 30 -0.534 6.374 1.052 1.00 0.00 C ATOM 462 C PRO A 30 -0.482 7.813 0.564 1.00 0.00 C ATOM 463 O PRO A 30 0.552 8.485 0.651 1.00 0.00 O ATOM 464 CB PRO A 30 -0.472 6.332 2.580 1.00 0.00 C ATOM 465 CG PRO A 30 0.948 6.021 2.904 1.00 0.00 C ATOM 466 CD PRO A 30 1.468 5.190 1.765 1.00 0.00 C ATOM 0 HA PRO A 30 -1.457 5.968 0.638 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.775 7.285 3.013 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -1.143 5.572 2.981 1.00 0.00 H new ATOM 0 HG2 PRO A 30 1.531 6.935 3.016 1.00 0.00 H new ATOM 0 HG3 PRO A 30 1.022 5.479 3.847 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.521 5.392 1.570 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.382 4.124 1.975 1.00 0.00 H new ATOM 474 N ARG A 31 -1.614 8.284 0.071 1.00 0.00 N ATOM 475 CA ARG A 31 -1.729 9.651 -0.401 1.00 0.00 C ATOM 476 C ARG A 31 -1.932 10.552 0.806 1.00 0.00 C ATOM 477 O ARG A 31 -1.424 11.672 0.861 1.00 0.00 O ATOM 478 CB ARG A 31 -2.888 9.779 -1.393 1.00 0.00 C ATOM 479 CG ARG A 31 -3.017 11.156 -2.027 1.00 0.00 C ATOM 480 CD ARG A 31 -3.851 11.129 -3.309 1.00 0.00 C ATOM 481 NE ARG A 31 -5.244 10.710 -3.095 1.00 0.00 N ATOM 482 CZ ARG A 31 -5.670 9.440 -3.119 1.00 0.00 C ATOM 483 NH1 ARG A 31 -4.824 8.450 -3.397 1.00 0.00 N ATOM 484 NH2 ARG A 31 -6.950 9.164 -2.892 1.00 0.00 N ATOM 0 H ARG A 31 -2.470 7.736 -0.013 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.822 9.948 -0.928 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.759 9.039 -2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.819 9.539 -0.880 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.474 11.841 -1.313 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.024 11.545 -2.251 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.844 12.122 -3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.382 10.452 -4.024 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.935 11.438 -2.915 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.845 8.656 -3.593 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.155 7.485 -3.413 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.608 9.919 -2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.274 8.197 -2.910 1.00 0.00 H new ATOM 498 N ARG A 32 -2.658 10.013 1.778 1.00 0.00 N ATOM 499 CA ARG A 32 -2.945 10.683 3.032 1.00 0.00 C ATOM 500 C ARG A 32 -3.655 9.688 3.939 1.00 0.00 C ATOM 501 O ARG A 32 -3.978 10.038 5.087 1.00 0.00 O ATOM 502 CB ARG A 32 -3.818 11.926 2.824 1.00 0.00 C ATOM 503 CG ARG A 32 -5.269 11.615 2.494 1.00 0.00 C ATOM 504 CD ARG A 32 -6.093 12.887 2.394 1.00 0.00 C ATOM 505 NE ARG A 32 -7.527 12.605 2.296 1.00 0.00 N ATOM 506 CZ ARG A 32 -8.464 13.543 2.148 1.00 0.00 C ATOM 507 NH1 ARG A 32 -8.119 14.824 2.058 1.00 0.00 N ATOM 508 NH2 ARG A 32 -9.747 13.199 2.093 1.00 0.00 N ATOM 509 OXT ARG A 32 -3.888 8.549 3.471 1.00 0.00 O ATOM 0 H ARG A 32 -3.069 9.082 1.712 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.012 11.022 3.482 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.784 12.536 3.727 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.393 12.525 2.018 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -5.322 11.069 1.552 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -5.689 10.966 3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.905 13.511 3.268 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.775 13.457 1.521 1.00 0.00 H new ATOM 0 HE ARG A 32 -7.828 11.632 2.344 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -7.136 15.092 2.102 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -8.838 15.539 1.945 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.015 12.217 2.164 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.463 13.917 1.980 1.00 0.00 H new TER 523 ARG A 32