USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 262 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+ -144:sc= 0.0336 (180deg=0) USER MOD Single : A 5 TYR OH : rot -130:sc= 0.554 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc=-0.00284 X(o=-0.0028,f=0) USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0133) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.00838 USER MOD Single : A 27 TYR OH : rot 180:sc= 0.197 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.509 8.583 8.271 1.00 0.00 N ATOM 2 CA GLY A 1 3.769 9.330 8.032 1.00 0.00 C ATOM 3 C GLY A 1 4.174 9.263 6.581 1.00 0.00 C ATOM 4 O GLY A 1 3.311 9.220 5.708 1.00 0.00 O ATOM 0 H1 GLY A 1 1.943 9.078 8.989 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.968 8.522 7.385 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.732 7.624 8.607 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.640 10.371 8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.563 8.917 8.654 1.00 0.00 H new ATOM 10 N LEU A 2 5.475 9.241 6.322 1.00 0.00 N ATOM 11 CA LEU A 2 5.976 9.166 4.956 1.00 0.00 C ATOM 12 C LEU A 2 5.915 7.728 4.442 1.00 0.00 C ATOM 13 O LEU A 2 5.764 7.492 3.245 1.00 0.00 O ATOM 14 CB LEU A 2 7.399 9.778 4.836 1.00 0.00 C ATOM 15 CG LEU A 2 8.596 9.045 5.497 1.00 0.00 C ATOM 16 CD1 LEU A 2 8.317 8.648 6.940 1.00 0.00 C ATOM 17 CD2 LEU A 2 9.033 7.838 4.676 1.00 0.00 C ATOM 0 H LEU A 2 6.201 9.274 7.038 1.00 0.00 H new ATOM 0 HA LEU A 2 5.329 9.769 4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 2 7.623 9.881 3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 2 7.360 10.784 5.253 1.00 0.00 H new ATOM 0 HG LEU A 2 9.419 9.760 5.518 1.00 0.00 H new ATOM 0 HD11 LEU A 2 9.188 8.139 7.352 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.106 9.541 7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 2 7.457 7.980 6.974 1.00 0.00 H new ATOM 0 HD21 LEU A 2 9.873 7.348 5.168 1.00 0.00 H new ATOM 0 HD22 LEU A 2 8.203 7.136 4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 2 9.335 8.165 3.681 1.00 0.00 H new ATOM 29 N LEU A 3 6.029 6.776 5.361 1.00 0.00 N ATOM 30 CA LEU A 3 5.980 5.363 5.012 1.00 0.00 C ATOM 31 C LEU A 3 4.550 4.942 4.695 1.00 0.00 C ATOM 32 O LEU A 3 3.596 5.419 5.320 1.00 0.00 O ATOM 33 CB LEU A 3 6.555 4.486 6.138 1.00 0.00 C ATOM 34 CG LEU A 3 5.739 4.426 7.437 1.00 0.00 C ATOM 35 CD1 LEU A 3 6.169 3.230 8.273 1.00 0.00 C ATOM 36 CD2 LEU A 3 5.901 5.707 8.245 1.00 0.00 C ATOM 0 H LEU A 3 6.156 6.959 6.356 1.00 0.00 H new ATOM 0 HA LEU A 3 6.597 5.219 4.125 1.00 0.00 H new ATOM 0 HB2 LEU A 3 6.668 3.471 5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.554 4.849 6.378 1.00 0.00 H new ATOM 0 HG LEU A 3 4.688 4.319 7.170 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.583 3.199 9.192 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.006 2.313 7.707 1.00 0.00 H new ATOM 0 HD13 LEU A 3 7.227 3.320 8.520 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.312 5.637 9.160 1.00 0.00 H new ATOM 0 HD22 LEU A 3 6.952 5.846 8.499 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.555 6.556 7.655 1.00 0.00 H new ATOM 48 N CYS A 4 4.413 4.052 3.727 1.00 0.00 N ATOM 49 CA CYS A 4 3.109 3.553 3.317 1.00 0.00 C ATOM 50 C CYS A 4 2.568 2.560 4.342 1.00 0.00 C ATOM 51 O CYS A 4 3.314 2.041 5.172 1.00 0.00 O ATOM 52 CB CYS A 4 3.201 2.878 1.948 1.00 0.00 C ATOM 53 SG CYS A 4 3.883 3.926 0.619 1.00 0.00 S ATOM 0 H CYS A 4 5.195 3.657 3.206 1.00 0.00 H new ATOM 0 HA CYS A 4 2.428 4.401 3.251 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.819 1.985 2.040 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.205 2.547 1.655 1.00 0.00 H new ATOM 58 N TYR A 5 1.276 2.290 4.273 1.00 0.00 N ATOM 59 CA TYR A 5 0.650 1.351 5.188 1.00 0.00 C ATOM 60 C TYR A 5 0.715 -0.068 4.645 1.00 0.00 C ATOM 61 O TYR A 5 0.555 -0.304 3.443 1.00 0.00 O ATOM 62 CB TYR A 5 -0.800 1.765 5.507 1.00 0.00 C ATOM 63 CG TYR A 5 -1.679 2.022 4.296 1.00 0.00 C ATOM 64 CD1 TYR A 5 -2.059 0.991 3.447 1.00 0.00 C ATOM 65 CD2 TYR A 5 -2.127 3.305 4.003 1.00 0.00 C ATOM 66 CE1 TYR A 5 -2.852 1.226 2.342 1.00 0.00 C ATOM 67 CE2 TYR A 5 -2.924 3.548 2.901 1.00 0.00 C ATOM 68 CZ TYR A 5 -3.281 2.506 2.073 1.00 0.00 C ATOM 69 OH TYR A 5 -4.065 2.744 0.969 1.00 0.00 O ATOM 0 H TYR A 5 0.640 2.707 3.593 1.00 0.00 H new ATOM 0 HA TYR A 5 1.210 1.373 6.123 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.260 0.983 6.111 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -0.777 2.667 6.118 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.727 -0.015 3.656 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.847 4.125 4.647 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.134 0.411 1.692 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.266 4.550 2.689 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.691 3.491 0.457 1.00 0.00 H new ATOM 79 N CYS A 6 0.952 -1.005 5.545 1.00 0.00 N ATOM 80 CA CYS A 6 1.030 -2.404 5.185 1.00 0.00 C ATOM 81 C CYS A 6 -0.310 -3.063 5.466 1.00 0.00 C ATOM 82 O CYS A 6 -0.735 -3.155 6.620 1.00 0.00 O ATOM 83 CB CYS A 6 2.133 -3.099 5.976 1.00 0.00 C ATOM 84 SG CYS A 6 2.243 -4.895 5.694 1.00 0.00 S ATOM 0 H CYS A 6 1.094 -0.817 6.537 1.00 0.00 H new ATOM 0 HA CYS A 6 1.267 -2.490 4.124 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.090 -2.644 5.719 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.970 -2.920 7.039 1.00 0.00 H new ATOM 89 N ARG A 7 -0.979 -3.502 4.417 1.00 0.00 N ATOM 90 CA ARG A 7 -2.286 -4.141 4.553 1.00 0.00 C ATOM 91 C ARG A 7 -2.384 -5.341 3.626 1.00 0.00 C ATOM 92 O ARG A 7 -1.850 -5.315 2.522 1.00 0.00 O ATOM 93 CB ARG A 7 -3.429 -3.172 4.202 1.00 0.00 C ATOM 94 CG ARG A 7 -3.378 -1.814 4.892 1.00 0.00 C ATOM 95 CD ARG A 7 -3.426 -1.925 6.408 1.00 0.00 C ATOM 96 NE ARG A 7 -4.560 -2.723 6.883 1.00 0.00 N ATOM 97 CZ ARG A 7 -4.757 -3.036 8.167 1.00 0.00 C ATOM 98 NH1 ARG A 7 -3.877 -2.655 9.085 1.00 0.00 N ATOM 99 NH2 ARG A 7 -5.823 -3.743 8.530 1.00 0.00 N ATOM 0 H ARG A 7 -0.643 -3.430 3.457 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.384 -4.451 5.594 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -3.427 -3.012 3.124 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.376 -3.651 4.451 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.465 -1.296 4.598 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.215 -1.205 4.549 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.498 -2.372 6.765 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.485 -0.926 6.839 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.236 -3.058 6.196 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.051 -2.124 8.810 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.027 -2.894 10.065 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.495 -4.049 7.827 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -5.968 -3.979 9.512 1.00 0.00 H new ATOM 113 N LYS A 8 -3.085 -6.379 4.069 1.00 0.00 N ATOM 114 CA LYS A 8 -3.271 -7.575 3.254 1.00 0.00 C ATOM 115 C LYS A 8 -4.139 -7.239 2.047 1.00 0.00 C ATOM 116 O LYS A 8 -3.975 -7.796 0.959 1.00 0.00 O ATOM 117 CB LYS A 8 -3.894 -8.704 4.086 1.00 0.00 C ATOM 118 CG LYS A 8 -4.318 -9.914 3.264 1.00 0.00 C ATOM 119 CD LYS A 8 -4.516 -11.144 4.135 1.00 0.00 C ATOM 120 CE LYS A 8 -3.194 -11.630 4.710 1.00 0.00 C ATOM 121 NZ LYS A 8 -3.368 -12.815 5.592 1.00 0.00 N ATOM 0 H LYS A 8 -3.533 -6.417 4.985 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.301 -7.923 2.901 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.177 -9.024 4.842 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -4.763 -8.314 4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.245 -9.689 2.736 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.562 -10.122 2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.205 -10.911 4.947 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.974 -11.939 3.547 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.516 -11.882 3.895 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.727 -10.824 5.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.442 -13.112 5.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.994 -12.569 6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.789 -13.594 5.047 1.00 0.00 H new ATOM 135 N GLY A 9 -5.044 -6.296 2.254 1.00 0.00 N ATOM 136 CA GLY A 9 -5.916 -5.846 1.192 1.00 0.00 C ATOM 137 C GLY A 9 -5.135 -5.134 0.109 1.00 0.00 C ATOM 138 O GLY A 9 -4.086 -4.550 0.382 1.00 0.00 O ATOM 0 H GLY A 9 -5.190 -5.830 3.149 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -6.442 -6.699 0.764 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.673 -5.176 1.599 1.00 0.00 H new ATOM 142 N HIS A 10 -5.634 -5.192 -1.116 1.00 0.00 N ATOM 143 CA HIS A 10 -4.968 -4.554 -2.249 1.00 0.00 C ATOM 144 C HIS A 10 -5.096 -3.033 -2.193 1.00 0.00 C ATOM 145 O HIS A 10 -5.788 -2.435 -3.018 1.00 0.00 O ATOM 146 CB HIS A 10 -5.525 -5.084 -3.574 1.00 0.00 C ATOM 147 CG HIS A 10 -5.152 -6.508 -3.865 1.00 0.00 C ATOM 148 ND1 HIS A 10 -5.534 -7.166 -5.017 1.00 0.00 N ATOM 149 CD2 HIS A 10 -4.427 -7.403 -3.148 1.00 0.00 C ATOM 150 CE1 HIS A 10 -5.062 -8.399 -4.995 1.00 0.00 C ATOM 151 NE2 HIS A 10 -4.387 -8.568 -3.874 1.00 0.00 N ATOM 0 H HIS A 10 -6.500 -5.675 -1.355 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.909 -4.804 -2.187 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.612 -4.999 -3.560 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -5.167 -4.452 -4.386 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -3.967 -7.231 -2.186 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -5.204 -9.143 -5.765 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -3.912 -9.426 -3.592 1.00 0.00 H new ATOM 159 N CYS A 11 -4.423 -2.432 -1.210 1.00 0.00 N ATOM 160 CA CYS A 11 -4.427 -0.984 -0.999 1.00 0.00 C ATOM 161 C CYS A 11 -5.776 -0.494 -0.473 1.00 0.00 C ATOM 162 O CYS A 11 -6.831 -1.018 -0.826 1.00 0.00 O ATOM 163 CB CYS A 11 -4.063 -0.231 -2.282 1.00 0.00 C ATOM 164 SG CYS A 11 -2.403 -0.605 -2.939 1.00 0.00 S ATOM 0 H CYS A 11 -3.855 -2.941 -0.533 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.668 -0.774 -0.245 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.803 -0.465 -3.047 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.130 0.840 -2.090 1.00 0.00 H new ATOM 169 N LYS A 12 -5.741 0.522 0.375 1.00 0.00 N ATOM 170 CA LYS A 12 -6.959 1.082 0.935 1.00 0.00 C ATOM 171 C LYS A 12 -7.257 2.442 0.320 1.00 0.00 C ATOM 172 O LYS A 12 -7.830 3.315 0.970 1.00 0.00 O ATOM 173 CB LYS A 12 -6.850 1.206 2.459 1.00 0.00 C ATOM 174 CG LYS A 12 -6.922 -0.124 3.197 1.00 0.00 C ATOM 175 CD LYS A 12 -8.224 -0.866 2.904 1.00 0.00 C ATOM 176 CE LYS A 12 -9.453 0.021 3.098 1.00 0.00 C ATOM 177 NZ LYS A 12 -9.560 0.551 4.485 1.00 0.00 N ATOM 0 H LYS A 12 -4.883 0.975 0.690 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.780 0.405 0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.909 1.696 2.707 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.650 1.853 2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.076 -0.747 2.907 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.837 0.050 4.270 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.205 -1.238 1.880 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.299 -1.735 3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.410 0.854 2.396 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.350 -0.550 2.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.452 1.076 4.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.543 -0.239 5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.760 1.187 4.676 1.00 0.00 H new ATOM 191 N ARG A 13 -6.869 2.604 -0.937 1.00 0.00 N ATOM 192 CA ARG A 13 -7.089 3.851 -1.657 1.00 0.00 C ATOM 193 C ARG A 13 -6.914 3.646 -3.156 1.00 0.00 C ATOM 194 O ARG A 13 -6.428 4.528 -3.864 1.00 0.00 O ATOM 195 CB ARG A 13 -6.128 4.939 -1.162 1.00 0.00 C ATOM 196 CG ARG A 13 -6.830 6.120 -0.513 1.00 0.00 C ATOM 197 CD ARG A 13 -7.809 6.778 -1.472 1.00 0.00 C ATOM 198 NE ARG A 13 -8.532 7.886 -0.847 1.00 0.00 N ATOM 199 CZ ARG A 13 -9.446 8.629 -1.474 1.00 0.00 C ATOM 200 NH1 ARG A 13 -9.755 8.376 -2.743 1.00 0.00 N ATOM 201 NH2 ARG A 13 -10.054 9.620 -0.829 1.00 0.00 N ATOM 0 H ARG A 13 -6.397 1.883 -1.482 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.112 4.174 -1.465 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -5.434 4.500 -0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.534 5.297 -2.003 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.361 5.785 0.378 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.090 6.851 -0.187 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.269 7.145 -2.345 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.523 6.035 -1.827 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.325 8.104 0.128 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.293 7.613 -3.238 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.454 8.945 -3.221 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.822 9.813 0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.753 10.188 -1.309 1.00 0.00 H new ATOM 215 N GLY A 14 -7.327 2.478 -3.631 1.00 0.00 N ATOM 216 CA GLY A 14 -7.221 2.167 -5.044 1.00 0.00 C ATOM 217 C GLY A 14 -5.789 1.960 -5.497 1.00 0.00 C ATOM 218 O GLY A 14 -4.992 1.339 -4.794 1.00 0.00 O ATOM 0 H GLY A 14 -7.735 1.737 -3.061 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.798 1.267 -5.257 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.667 2.976 -5.623 1.00 0.00 H new ATOM 222 N GLY A 15 -5.469 2.478 -6.676 1.00 0.00 N ATOM 223 CA GLY A 15 -4.132 2.342 -7.230 1.00 0.00 C ATOM 224 C GLY A 15 -3.104 3.222 -6.545 1.00 0.00 C ATOM 225 O GLY A 15 -2.657 4.218 -7.111 1.00 0.00 O ATOM 0 H GLY A 15 -6.120 2.997 -7.266 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.818 1.301 -7.152 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.160 2.587 -8.292 1.00 0.00 H new ATOM 229 N ARG A 16 -2.731 2.861 -5.325 1.00 0.00 N ATOM 230 CA ARG A 16 -1.748 3.625 -4.566 1.00 0.00 C ATOM 231 C ARG A 16 -0.700 2.702 -3.962 1.00 0.00 C ATOM 232 O ARG A 16 -0.176 2.956 -2.874 1.00 0.00 O ATOM 233 CB ARG A 16 -2.433 4.440 -3.466 1.00 0.00 C ATOM 234 CG ARG A 16 -3.241 5.613 -3.993 1.00 0.00 C ATOM 235 CD ARG A 16 -2.357 6.606 -4.732 1.00 0.00 C ATOM 236 NE ARG A 16 -3.129 7.675 -5.372 1.00 0.00 N ATOM 237 CZ ARG A 16 -3.788 8.633 -4.712 1.00 0.00 C ATOM 238 NH1 ARG A 16 -3.760 8.674 -3.382 1.00 0.00 N ATOM 239 NH2 ARG A 16 -4.470 9.552 -5.388 1.00 0.00 N ATOM 0 H ARG A 16 -3.095 2.042 -4.838 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.250 4.313 -5.250 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.090 3.784 -2.895 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.676 4.812 -2.776 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.021 5.249 -4.662 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.741 6.115 -3.164 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.645 7.045 -4.033 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.777 6.078 -5.489 1.00 0.00 H new ATOM 0 HE ARG A 16 -3.166 7.689 -6.391 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -3.234 7.972 -2.861 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -4.265 9.407 -2.884 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -4.490 9.525 -6.407 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.974 10.284 -4.887 1.00 0.00 H new ATOM 253 N VAL A 17 -0.393 1.633 -4.681 1.00 0.00 N ATOM 254 CA VAL A 17 0.599 0.670 -4.234 1.00 0.00 C ATOM 255 C VAL A 17 2.005 1.157 -4.562 1.00 0.00 C ATOM 256 O VAL A 17 2.281 1.601 -5.678 1.00 0.00 O ATOM 257 CB VAL A 17 0.361 -0.729 -4.855 1.00 0.00 C ATOM 258 CG1 VAL A 17 0.306 -0.660 -6.375 1.00 0.00 C ATOM 259 CG2 VAL A 17 1.424 -1.719 -4.400 1.00 0.00 C ATOM 0 H VAL A 17 -0.819 1.411 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 17 0.498 0.577 -3.153 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.607 -1.083 -4.501 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.138 -1.658 -6.779 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.509 -0.003 -6.680 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.249 -0.269 -6.756 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.232 -2.692 -4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.407 -1.364 -4.708 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.395 -1.811 -3.314 1.00 0.00 H new ATOM 269 N ARG A 18 2.888 1.081 -3.583 1.00 0.00 N ATOM 270 CA ARG A 18 4.260 1.511 -3.771 1.00 0.00 C ATOM 271 C ARG A 18 5.209 0.327 -3.694 1.00 0.00 C ATOM 272 O ARG A 18 6.380 0.439 -4.050 1.00 0.00 O ATOM 273 CB ARG A 18 4.645 2.583 -2.749 1.00 0.00 C ATOM 274 CG ARG A 18 3.986 3.927 -3.016 1.00 0.00 C ATOM 275 CD ARG A 18 4.129 4.319 -4.478 1.00 0.00 C ATOM 276 NE ARG A 18 3.685 5.683 -4.742 1.00 0.00 N ATOM 277 CZ ARG A 18 3.614 6.214 -5.959 1.00 0.00 C ATOM 278 NH1 ARG A 18 3.872 5.471 -7.032 1.00 0.00 N ATOM 279 NH2 ARG A 18 3.274 7.486 -6.097 1.00 0.00 N ATOM 0 H ARG A 18 2.679 0.725 -2.650 1.00 0.00 H new ATOM 0 HA ARG A 18 4.342 1.951 -4.765 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.368 2.241 -1.752 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.728 2.709 -2.754 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.930 3.878 -2.750 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.439 4.691 -2.384 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.172 4.217 -4.777 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.552 3.628 -5.093 1.00 0.00 H new ATOM 0 HE ARG A 18 3.413 6.263 -3.948 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.126 4.489 -6.923 1.00 0.00 H new ATOM 0 HH12 ARG A 18 3.816 5.883 -7.963 1.00 0.00 H new ATOM 0 HH21 ARG A 18 3.069 8.051 -5.273 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.217 7.901 -7.027 1.00 0.00 H new ATOM 293 N GLY A 19 4.698 -0.809 -3.238 1.00 0.00 N ATOM 294 CA GLY A 19 5.526 -1.991 -3.142 1.00 0.00 C ATOM 295 C GLY A 19 4.819 -3.143 -2.463 1.00 0.00 C ATOM 296 O GLY A 19 3.614 -3.086 -2.215 1.00 0.00 O ATOM 0 H GLY A 19 3.732 -0.931 -2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.833 -2.297 -4.142 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.434 -1.750 -2.589 1.00 0.00 H new ATOM 300 N THR A 20 5.572 -4.183 -2.156 1.00 0.00 N ATOM 301 CA THR A 20 5.032 -5.355 -1.497 1.00 0.00 C ATOM 302 C THR A 20 5.465 -5.402 -0.037 1.00 0.00 C ATOM 303 O THR A 20 6.601 -5.062 0.291 1.00 0.00 O ATOM 304 CB THR A 20 5.486 -6.642 -2.211 1.00 0.00 C ATOM 305 OG1 THR A 20 6.886 -6.560 -2.511 1.00 0.00 O ATOM 306 CG2 THR A 20 4.698 -6.861 -3.493 1.00 0.00 C ATOM 0 H THR A 20 6.571 -4.238 -2.356 1.00 0.00 H new ATOM 0 HA THR A 20 3.945 -5.289 -1.543 1.00 0.00 H new ATOM 0 HB THR A 20 5.302 -7.487 -1.547 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.172 -7.381 -2.964 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.038 -7.776 -3.977 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.637 -6.948 -3.258 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.853 -6.016 -4.164 1.00 0.00 H new ATOM 314 N CYS A 21 4.562 -5.829 0.829 1.00 0.00 N ATOM 315 CA CYS A 21 4.856 -5.935 2.246 1.00 0.00 C ATOM 316 C CYS A 21 5.174 -7.387 2.589 1.00 0.00 C ATOM 317 O CYS A 21 5.849 -8.078 1.825 1.00 0.00 O ATOM 318 CB CYS A 21 3.681 -5.405 3.071 1.00 0.00 C ATOM 319 SG CYS A 21 4.062 -5.143 4.835 1.00 0.00 S ATOM 0 H CYS A 21 3.615 -6.109 0.573 1.00 0.00 H new ATOM 0 HA CYS A 21 5.727 -5.326 2.489 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.345 -4.462 2.640 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.850 -6.106 2.991 1.00 0.00 H new ATOM 324 N GLY A 22 4.694 -7.837 3.733 1.00 0.00 N ATOM 325 CA GLY A 22 4.935 -9.202 4.170 1.00 0.00 C ATOM 326 C GLY A 22 4.177 -10.243 3.356 1.00 0.00 C ATOM 327 O GLY A 22 3.804 -10.006 2.205 1.00 0.00 O ATOM 0 H GLY A 22 4.135 -7.278 4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.003 -9.412 4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.651 -9.295 5.218 1.00 0.00 H new ATOM 331 N ILE A 23 3.950 -11.405 3.959 1.00 0.00 N ATOM 332 CA ILE A 23 3.247 -12.494 3.291 1.00 0.00 C ATOM 333 C ILE A 23 1.796 -12.131 2.974 1.00 0.00 C ATOM 334 O ILE A 23 0.942 -12.089 3.860 1.00 0.00 O ATOM 335 CB ILE A 23 3.289 -13.796 4.124 1.00 0.00 C ATOM 336 CG1 ILE A 23 2.922 -13.522 5.589 1.00 0.00 C ATOM 337 CG2 ILE A 23 4.667 -14.435 4.025 1.00 0.00 C ATOM 338 CD1 ILE A 23 2.849 -14.769 6.445 1.00 0.00 C ATOM 0 H ILE A 23 4.244 -11.617 4.912 1.00 0.00 H new ATOM 0 HA ILE A 23 3.771 -12.663 2.350 1.00 0.00 H new ATOM 0 HB ILE A 23 2.552 -14.489 3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.658 -12.842 6.017 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.959 -13.012 5.623 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.686 -15.351 4.615 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.885 -14.670 2.983 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.417 -13.742 4.406 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.585 -14.494 7.466 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.092 -15.442 6.043 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.818 -15.269 6.443 1.00 0.00 H new ATOM 350 N ARG A 24 1.541 -11.870 1.693 1.00 0.00 N ATOM 351 CA ARG A 24 0.211 -11.500 1.205 1.00 0.00 C ATOM 352 C ARG A 24 -0.211 -10.138 1.750 1.00 0.00 C ATOM 353 O ARG A 24 -1.360 -9.943 2.141 1.00 0.00 O ATOM 354 CB ARG A 24 -0.834 -12.566 1.563 1.00 0.00 C ATOM 355 CG ARG A 24 -0.633 -13.892 0.844 1.00 0.00 C ATOM 356 CD ARG A 24 -0.746 -13.733 -0.667 1.00 0.00 C ATOM 357 NE ARG A 24 -0.655 -15.017 -1.372 1.00 0.00 N ATOM 358 CZ ARG A 24 0.456 -15.758 -1.456 1.00 0.00 C ATOM 359 NH1 ARG A 24 1.596 -15.330 -0.922 1.00 0.00 N ATOM 360 NH2 ARG A 24 0.424 -16.927 -2.089 1.00 0.00 N ATOM 0 H ARG A 24 2.251 -11.909 0.962 1.00 0.00 H new ATOM 0 HA ARG A 24 0.268 -11.435 0.118 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.808 -12.740 2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.826 -12.182 1.326 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.347 -14.298 1.095 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.375 -14.611 1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.695 -13.255 -0.910 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.044 -13.071 -1.020 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.496 -15.369 -1.829 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.629 -14.430 -0.443 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.438 -15.902 -0.991 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -0.446 -17.256 -2.509 1.00 0.00 H new ATOM 0 HH22 ARG A 24 1.269 -17.495 -2.155 1.00 0.00 H new ATOM 374 N PHE A 25 0.727 -9.201 1.754 1.00 0.00 N ATOM 375 CA PHE A 25 0.474 -7.846 2.224 1.00 0.00 C ATOM 376 C PHE A 25 1.028 -6.845 1.218 1.00 0.00 C ATOM 377 O PHE A 25 2.101 -7.059 0.650 1.00 0.00 O ATOM 378 CB PHE A 25 1.120 -7.599 3.594 1.00 0.00 C ATOM 379 CG PHE A 25 0.319 -8.094 4.771 1.00 0.00 C ATOM 380 CD1 PHE A 25 0.158 -9.448 5.008 1.00 0.00 C ATOM 381 CD2 PHE A 25 -0.273 -7.193 5.641 1.00 0.00 C ATOM 382 CE1 PHE A 25 -0.578 -9.894 6.090 1.00 0.00 C ATOM 383 CE2 PHE A 25 -1.010 -7.633 6.723 1.00 0.00 C ATOM 384 CZ PHE A 25 -1.164 -8.985 6.947 1.00 0.00 C ATOM 0 H PHE A 25 1.682 -9.358 1.433 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.604 -7.720 2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 25 2.098 -8.080 3.610 1.00 0.00 H new ATOM 0 HB3 PHE A 25 1.289 -6.529 3.712 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.613 -10.165 4.340 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.157 -6.133 5.471 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.694 -10.953 6.264 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.465 -6.919 7.393 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.742 -9.332 7.791 1.00 0.00 H new ATOM 394 N LEU A 26 0.305 -5.763 0.993 1.00 0.00 N ATOM 395 CA LEU A 26 0.739 -4.743 0.053 1.00 0.00 C ATOM 396 C LEU A 26 1.163 -3.467 0.769 1.00 0.00 C ATOM 397 O LEU A 26 0.589 -3.085 1.793 1.00 0.00 O ATOM 398 CB LEU A 26 -0.356 -4.434 -0.970 1.00 0.00 C ATOM 399 CG LEU A 26 -0.613 -5.535 -2.001 1.00 0.00 C ATOM 400 CD1 LEU A 26 -1.614 -5.063 -3.043 1.00 0.00 C ATOM 401 CD2 LEU A 26 0.687 -5.958 -2.669 1.00 0.00 C ATOM 0 H LEU A 26 -0.586 -5.567 1.448 1.00 0.00 H new ATOM 0 HA LEU A 26 1.606 -5.141 -0.475 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.285 -4.235 -0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.090 -3.519 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.031 -6.399 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.786 -5.858 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.555 -4.808 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.220 -4.184 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.483 -6.742 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.133 -5.100 -3.173 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.378 -6.335 -1.915 1.00 0.00 H new ATOM 413 N TYR A 27 2.169 -2.817 0.208 1.00 0.00 N ATOM 414 CA TYR A 27 2.702 -1.574 0.740 1.00 0.00 C ATOM 415 C TYR A 27 2.103 -0.413 -0.053 1.00 0.00 C ATOM 416 O TYR A 27 2.592 -0.073 -1.134 1.00 0.00 O ATOM 417 CB TYR A 27 4.231 -1.600 0.609 1.00 0.00 C ATOM 418 CG TYR A 27 4.959 -0.487 1.325 1.00 0.00 C ATOM 419 CD1 TYR A 27 4.864 -0.335 2.702 1.00 0.00 C ATOM 420 CD2 TYR A 27 5.755 0.405 0.619 1.00 0.00 C ATOM 421 CE1 TYR A 27 5.542 0.678 3.355 1.00 0.00 C ATOM 422 CE2 TYR A 27 6.434 1.420 1.263 1.00 0.00 C ATOM 423 CZ TYR A 27 6.325 1.552 2.630 1.00 0.00 C ATOM 424 OH TYR A 27 6.995 2.568 3.274 1.00 0.00 O ATOM 0 H TYR A 27 2.642 -3.140 -0.636 1.00 0.00 H new ATOM 0 HA TYR A 27 2.444 -1.452 1.792 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.596 -2.554 0.990 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.489 -1.559 -0.449 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.251 -1.018 3.272 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.845 0.303 -0.452 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.459 0.784 4.427 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.047 2.107 0.698 1.00 0.00 H new ATOM 0 HH TYR A 27 7.502 3.092 2.619 1.00 0.00 H new ATOM 434 N CYS A 28 1.017 0.162 0.453 1.00 0.00 N ATOM 435 CA CYS A 28 0.338 1.247 -0.254 1.00 0.00 C ATOM 436 C CYS A 28 0.301 2.530 0.572 1.00 0.00 C ATOM 437 O CYS A 28 0.088 2.496 1.780 1.00 0.00 O ATOM 438 CB CYS A 28 -1.093 0.829 -0.601 1.00 0.00 C ATOM 439 SG CYS A 28 -1.247 -0.852 -1.287 1.00 0.00 S ATOM 0 H CYS A 28 0.590 -0.100 1.341 1.00 0.00 H new ATOM 0 HA CYS A 28 0.903 1.446 -1.165 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.706 0.898 0.298 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -1.501 1.539 -1.320 1.00 0.00 H new ATOM 444 N CYS A 29 0.495 3.663 -0.087 1.00 0.00 N ATOM 445 CA CYS A 29 0.464 4.960 0.582 1.00 0.00 C ATOM 446 C CYS A 29 -0.894 5.634 0.396 1.00 0.00 C ATOM 447 O CYS A 29 -1.518 5.510 -0.655 1.00 0.00 O ATOM 448 CB CYS A 29 1.582 5.871 0.069 1.00 0.00 C ATOM 449 SG CYS A 29 3.141 5.771 1.016 1.00 0.00 S ATOM 0 H CYS A 29 0.677 3.712 -1.089 1.00 0.00 H new ATOM 0 HA CYS A 29 0.624 4.788 1.646 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.788 5.620 -0.972 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.228 6.902 0.085 1.00 0.00 H new ATOM 454 N PRO A 30 -1.379 6.346 1.429 1.00 0.00 N ATOM 455 CA PRO A 30 -2.678 7.035 1.385 1.00 0.00 C ATOM 456 C PRO A 30 -2.748 8.085 0.276 1.00 0.00 C ATOM 457 O PRO A 30 -3.748 8.194 -0.436 1.00 0.00 O ATOM 458 CB PRO A 30 -2.782 7.711 2.758 1.00 0.00 C ATOM 459 CG PRO A 30 -1.809 6.991 3.628 1.00 0.00 C ATOM 460 CD PRO A 30 -0.704 6.524 2.724 1.00 0.00 C ATOM 0 HA PRO A 30 -3.490 6.339 1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.541 8.772 2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.794 7.638 3.156 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -1.423 7.648 4.407 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -2.285 6.148 4.129 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.101 7.256 2.661 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.261 5.593 3.078 1.00 0.00 H new ATOM 468 N ARG A 31 -1.675 8.852 0.135 1.00 0.00 N ATOM 469 CA ARG A 31 -1.593 9.894 -0.880 1.00 0.00 C ATOM 470 C ARG A 31 -0.133 10.197 -1.195 1.00 0.00 C ATOM 471 O ARG A 31 0.315 11.338 -1.108 1.00 0.00 O ATOM 472 CB ARG A 31 -2.326 11.167 -0.428 1.00 0.00 C ATOM 473 CG ARG A 31 -1.862 11.722 0.913 1.00 0.00 C ATOM 474 CD ARG A 31 -2.438 13.109 1.163 1.00 0.00 C ATOM 475 NE ARG A 31 -2.006 13.674 2.445 1.00 0.00 N ATOM 476 CZ ARG A 31 -2.478 13.296 3.636 1.00 0.00 C ATOM 477 NH1 ARG A 31 -3.437 12.377 3.718 1.00 0.00 N ATOM 478 NH2 ARG A 31 -2.002 13.851 4.746 1.00 0.00 N ATOM 0 H ARG A 31 -0.841 8.770 0.717 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.083 9.534 -1.785 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.195 11.936 -1.190 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.393 10.955 -0.369 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.168 11.049 1.714 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.773 11.768 0.933 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.135 13.776 0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.527 13.056 1.141 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.296 14.406 2.426 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.815 11.957 2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.794 12.092 4.630 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.276 14.566 4.688 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.362 13.562 5.656 1.00 0.00 H new ATOM 492 N ARG A 32 0.598 9.157 -1.554 1.00 0.00 N ATOM 493 CA ARG A 32 2.008 9.277 -1.878 1.00 0.00 C ATOM 494 C ARG A 32 2.419 8.130 -2.789 1.00 0.00 C ATOM 495 O ARG A 32 1.816 7.045 -2.676 1.00 0.00 O ATOM 496 CB ARG A 32 2.843 9.270 -0.591 1.00 0.00 C ATOM 497 CG ARG A 32 4.341 9.156 -0.819 1.00 0.00 C ATOM 498 CD ARG A 32 5.107 9.216 0.492 1.00 0.00 C ATOM 499 NE ARG A 32 6.523 8.873 0.323 1.00 0.00 N ATOM 500 CZ ARG A 32 6.975 7.630 0.136 1.00 0.00 C ATOM 501 NH1 ARG A 32 6.136 6.598 0.170 1.00 0.00 N ATOM 502 NH2 ARG A 32 8.274 7.416 -0.060 1.00 0.00 N ATOM 503 OXT ARG A 32 3.323 8.322 -3.620 1.00 0.00 O ATOM 0 H ARG A 32 0.232 8.208 -1.629 1.00 0.00 H new ATOM 0 HA ARG A 32 2.184 10.219 -2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 32 2.640 10.185 -0.035 1.00 0.00 H new ATOM 0 HB3 ARG A 32 2.518 8.439 0.035 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.563 8.219 -1.329 1.00 0.00 H new ATOM 0 HG3 ARG A 32 4.673 9.962 -1.474 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.025 10.218 0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 32 4.652 8.532 1.208 1.00 0.00 H new ATOM 0 HE ARG A 32 7.205 9.631 0.350 1.00 0.00 H new ATOM 0 HH11 ARG A 32 5.142 6.754 0.339 1.00 0.00 H new ATOM 0 HH12 ARG A 32 6.486 5.651 0.027 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.925 8.201 -0.067 1.00 0.00 H new ATOM 0 HH22 ARG A 32 8.619 6.467 -0.203 1.00 0.00 H new TER 517 ARG A 32