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+ 130:sc= 0.063 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0547 X(o=-0.055,f=-0.48) USER MOD Single : A 12 LYS NZ :NH3+ -115:sc= 0.505 (180deg=-0.619) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0211 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.353 9.321 -2.132 1.00 0.00 N ATOM 2 CA GLY A 1 11.465 8.141 -2.282 1.00 0.00 C ATOM 3 C GLY A 1 10.011 8.531 -2.162 1.00 0.00 C ATOM 4 O GLY A 1 9.692 9.494 -1.467 1.00 0.00 O ATOM 0 H1 GLY A 1 13.095 9.111 -1.434 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.792 9.544 -3.048 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.795 10.137 -1.809 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.639 7.672 -3.251 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.709 7.400 -1.521 1.00 0.00 H new ATOM 10 N LEU A 2 9.137 7.800 -2.837 1.00 0.00 N ATOM 11 CA LEU A 2 7.708 8.084 -2.795 1.00 0.00 C ATOM 12 C LEU A 2 7.119 7.652 -1.459 1.00 0.00 C ATOM 13 O LEU A 2 7.480 6.603 -0.926 1.00 0.00 O ATOM 14 CB LEU A 2 6.987 7.372 -3.941 1.00 0.00 C ATOM 15 CG LEU A 2 7.392 7.821 -5.344 1.00 0.00 C ATOM 16 CD1 LEU A 2 6.686 6.978 -6.396 1.00 0.00 C ATOM 17 CD2 LEU A 2 7.075 9.296 -5.544 1.00 0.00 C ATOM 0 H LEU A 2 9.391 7.004 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 2 7.569 9.159 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 2 7.169 6.301 -3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.914 7.524 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 2 8.467 7.682 -5.454 1.00 0.00 H new ATOM 0 HD11 LEU A 2 6.985 7.311 -7.390 1.00 0.00 H new ATOM 0 HD12 LEU A 2 6.959 5.931 -6.266 1.00 0.00 H new ATOM 0 HD13 LEU A 2 5.607 7.088 -6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 2 7.370 9.599 -6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 2 6.005 9.459 -5.416 1.00 0.00 H new ATOM 0 HD23 LEU A 2 7.623 9.888 -4.811 1.00 0.00 H new ATOM 29 N LEU A 3 6.215 8.464 -0.926 1.00 0.00 N ATOM 30 CA LEU A 3 5.572 8.167 0.350 1.00 0.00 C ATOM 31 C LEU A 3 4.438 7.159 0.155 1.00 0.00 C ATOM 32 O LEU A 3 3.291 7.402 0.527 1.00 0.00 O ATOM 33 CB LEU A 3 5.044 9.455 0.994 1.00 0.00 C ATOM 34 CG LEU A 3 4.573 9.318 2.445 1.00 0.00 C ATOM 35 CD1 LEU A 3 5.727 8.903 3.346 1.00 0.00 C ATOM 36 CD2 LEU A 3 3.960 10.622 2.929 1.00 0.00 C ATOM 0 H LEU A 3 5.909 9.336 -1.358 1.00 0.00 H new ATOM 0 HA LEU A 3 6.312 7.726 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 3 5.830 10.210 0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.214 9.827 0.394 1.00 0.00 H new ATOM 0 HG LEU A 3 3.810 8.541 2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.372 8.811 4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.123 7.944 3.012 1.00 0.00 H new ATOM 0 HD13 LEU A 3 6.514 9.656 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.630 10.508 3.962 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.703 11.417 2.871 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.106 10.877 2.302 1.00 0.00 H new ATOM 48 N CYS A 4 4.775 6.032 -0.442 1.00 0.00 N ATOM 49 CA CYS A 4 3.810 4.981 -0.701 1.00 0.00 C ATOM 50 C CYS A 4 4.074 3.801 0.220 1.00 0.00 C ATOM 51 O CYS A 4 5.157 3.681 0.790 1.00 0.00 O ATOM 52 CB CYS A 4 3.886 4.541 -2.156 1.00 0.00 C ATOM 53 SG CYS A 4 3.813 5.910 -3.354 1.00 0.00 S ATOM 0 H CYS A 4 5.721 5.820 -0.760 1.00 0.00 H new ATOM 0 HA CYS A 4 2.808 5.365 -0.508 1.00 0.00 H new ATOM 0 HB2 CYS A 4 4.813 3.988 -2.309 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.067 3.851 -2.359 1.00 0.00 H new ATOM 58 N TYR A 5 3.081 2.943 0.381 1.00 0.00 N ATOM 59 CA TYR A 5 3.221 1.788 1.255 1.00 0.00 C ATOM 60 C TYR A 5 2.701 0.521 0.588 1.00 0.00 C ATOM 61 O TYR A 5 1.639 0.523 -0.037 1.00 0.00 O ATOM 62 CB TYR A 5 2.451 1.994 2.567 1.00 0.00 C ATOM 63 CG TYR A 5 2.651 3.346 3.223 1.00 0.00 C ATOM 64 CD1 TYR A 5 1.936 4.462 2.798 1.00 0.00 C ATOM 65 CD2 TYR A 5 3.551 3.504 4.269 1.00 0.00 C ATOM 66 CE1 TYR A 5 2.111 5.692 3.399 1.00 0.00 C ATOM 67 CE2 TYR A 5 3.733 4.735 4.873 1.00 0.00 C ATOM 68 CZ TYR A 5 3.010 5.824 4.435 1.00 0.00 C ATOM 69 OH TYR A 5 3.185 7.047 5.037 1.00 0.00 O ATOM 0 H TYR A 5 2.174 3.022 -0.078 1.00 0.00 H new ATOM 0 HA TYR A 5 4.285 1.679 1.463 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.388 1.856 2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.750 1.218 3.271 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.233 4.364 1.984 1.00 0.00 H new ATOM 0 HD2 TYR A 5 4.117 2.653 4.616 1.00 0.00 H new ATOM 0 HE1 TYR A 5 1.546 6.547 3.059 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.438 4.843 5.684 1.00 0.00 H new ATOM 0 HH TYR A 5 3.853 6.968 5.750 1.00 0.00 H new ATOM 79 N CYS A 6 3.440 -0.562 0.758 1.00 0.00 N ATOM 80 CA CYS A 6 3.049 -1.855 0.219 1.00 0.00 C ATOM 81 C CYS A 6 2.104 -2.536 1.190 1.00 0.00 C ATOM 82 O CYS A 6 2.365 -2.578 2.394 1.00 0.00 O ATOM 83 CB CYS A 6 4.263 -2.752 0.001 1.00 0.00 C ATOM 84 SG CYS A 6 5.436 -2.145 -1.247 1.00 0.00 S ATOM 0 H CYS A 6 4.322 -0.571 1.270 1.00 0.00 H new ATOM 0 HA CYS A 6 2.560 -1.691 -0.741 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.788 -2.867 0.949 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.918 -3.743 -0.295 1.00 0.00 H new ATOM 89 N ARG A 7 1.014 -3.065 0.676 1.00 0.00 N ATOM 90 CA ARG A 7 0.042 -3.745 1.519 1.00 0.00 C ATOM 91 C ARG A 7 -0.490 -4.980 0.823 1.00 0.00 C ATOM 92 O ARG A 7 -0.646 -5.005 -0.397 1.00 0.00 O ATOM 93 CB ARG A 7 -1.113 -2.820 1.904 1.00 0.00 C ATOM 94 CG ARG A 7 -0.658 -1.512 2.523 1.00 0.00 C ATOM 95 CD ARG A 7 -1.785 -0.803 3.249 1.00 0.00 C ATOM 96 NE ARG A 7 -1.389 0.533 3.696 1.00 0.00 N ATOM 97 CZ ARG A 7 -0.474 0.787 4.631 1.00 0.00 C ATOM 98 NH1 ARG A 7 0.111 -0.207 5.296 1.00 0.00 N ATOM 99 NH2 ARG A 7 -0.155 2.048 4.906 1.00 0.00 N ATOM 0 H ARG A 7 0.776 -3.040 -0.315 1.00 0.00 H new ATOM 0 HA ARG A 7 0.552 -4.043 2.435 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -1.708 -2.605 1.016 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -1.765 -3.339 2.607 1.00 0.00 H new ATOM 0 HG2 ARG A 7 0.157 -1.705 3.220 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.263 -0.861 1.744 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.649 -0.724 2.589 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -2.094 -1.397 4.109 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.849 1.331 3.258 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -0.140 -1.174 5.092 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.810 -0.001 6.010 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.609 2.810 4.403 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.544 2.253 5.620 1.00 0.00 H new ATOM 113 N LYS A 8 -0.744 -6.009 1.605 1.00 0.00 N ATOM 114 CA LYS A 8 -1.239 -7.264 1.076 1.00 0.00 C ATOM 115 C LYS A 8 -2.758 -7.262 0.947 1.00 0.00 C ATOM 116 O LYS A 8 -3.482 -6.919 1.886 1.00 0.00 O ATOM 117 CB LYS A 8 -0.782 -8.435 1.955 1.00 0.00 C ATOM 118 CG LYS A 8 -1.193 -8.317 3.414 1.00 0.00 C ATOM 119 CD LYS A 8 -0.773 -9.542 4.209 1.00 0.00 C ATOM 120 CE LYS A 8 -1.216 -9.442 5.660 1.00 0.00 C ATOM 121 NZ LYS A 8 -0.844 -10.657 6.437 1.00 0.00 N ATOM 0 H LYS A 8 -0.615 -6.000 2.617 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.821 -7.386 0.077 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.189 -9.361 1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.304 -8.514 1.900 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.741 -7.426 3.850 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.274 -8.191 3.480 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.203 -10.436 3.757 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.311 -9.652 4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.762 -8.564 6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.296 -9.301 5.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.163 -10.551 7.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.298 -11.492 6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.189 -10.778 6.419 1.00 0.00 H new ATOM 135 N GLY A 9 -3.230 -7.668 -0.220 1.00 0.00 N ATOM 136 CA GLY A 9 -4.657 -7.743 -0.470 1.00 0.00 C ATOM 137 C GLY A 9 -5.300 -6.423 -0.841 1.00 0.00 C ATOM 138 O GLY A 9 -6.039 -6.350 -1.818 1.00 0.00 O ATOM 0 H GLY A 9 -2.646 -7.950 -1.007 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -4.835 -8.458 -1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.149 -8.135 0.420 1.00 0.00 H new ATOM 142 N HIS A 10 -5.041 -5.383 -0.064 1.00 0.00 N ATOM 143 CA HIS A 10 -5.633 -4.074 -0.335 1.00 0.00 C ATOM 144 C HIS A 10 -4.965 -2.967 0.459 1.00 0.00 C ATOM 145 O HIS A 10 -4.330 -3.208 1.485 1.00 0.00 O ATOM 146 CB HIS A 10 -7.137 -4.067 -0.030 1.00 0.00 C ATOM 147 CG HIS A 10 -7.477 -4.322 1.412 1.00 0.00 C ATOM 148 ND1 HIS A 10 -7.183 -5.503 2.063 1.00 0.00 N ATOM 149 CD2 HIS A 10 -8.085 -3.532 2.330 1.00 0.00 C ATOM 150 CE1 HIS A 10 -7.596 -5.428 3.315 1.00 0.00 C ATOM 151 NE2 HIS A 10 -8.145 -4.244 3.504 1.00 0.00 N ATOM 0 H HIS A 10 -4.431 -5.414 0.753 1.00 0.00 H new ATOM 0 HA HIS A 10 -5.475 -3.885 -1.397 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.551 -3.102 -0.324 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.624 -4.823 -0.645 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.454 -2.530 2.169 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -7.500 -6.205 4.059 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -8.549 -3.911 4.379 1.00 0.00 H new ATOM 160 N CYS A 11 -5.140 -1.757 -0.038 1.00 0.00 N ATOM 161 CA CYS A 11 -4.591 -0.556 0.579 1.00 0.00 C ATOM 162 C CYS A 11 -5.429 -0.120 1.774 1.00 0.00 C ATOM 163 O CYS A 11 -6.551 -0.597 1.969 1.00 0.00 O ATOM 164 CB CYS A 11 -4.576 0.581 -0.442 1.00 0.00 C ATOM 165 SG CYS A 11 -3.964 0.093 -2.084 1.00 0.00 S ATOM 0 H CYS A 11 -5.672 -1.574 -0.889 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.580 -0.783 0.917 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.587 0.976 -0.545 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.954 1.391 -0.060 1.00 0.00 H new ATOM 170 N LYS A 12 -4.900 0.823 2.536 1.00 0.00 N ATOM 171 CA LYS A 12 -5.612 1.377 3.669 1.00 0.00 C ATOM 172 C LYS A 12 -6.402 2.582 3.181 1.00 0.00 C ATOM 173 O LYS A 12 -5.954 3.273 2.266 1.00 0.00 O ATOM 174 CB LYS A 12 -4.634 1.776 4.786 1.00 0.00 C ATOM 175 CG LYS A 12 -5.266 2.610 5.895 1.00 0.00 C ATOM 176 CD LYS A 12 -4.282 2.915 7.017 1.00 0.00 C ATOM 177 CE LYS A 12 -2.996 3.549 6.501 1.00 0.00 C ATOM 178 NZ LYS A 12 -3.246 4.762 5.674 1.00 0.00 N ATOM 0 H LYS A 12 -3.973 1.221 2.386 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.289 0.633 4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.209 0.872 5.223 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.809 2.338 4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.639 3.545 5.477 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.126 2.078 6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.752 3.585 7.737 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.043 1.994 7.548 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.362 3.815 7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -2.447 2.817 5.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.940 4.585 4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -4.262 4.985 5.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.712 5.564 6.064 1.00 0.00 H new ATOM 192 N ARG A 13 -7.575 2.815 3.767 1.00 0.00 N ATOM 193 CA ARG A 13 -8.435 3.932 3.374 1.00 0.00 C ATOM 194 C ARG A 13 -7.632 5.227 3.234 1.00 0.00 C ATOM 195 O ARG A 13 -7.223 5.831 4.224 1.00 0.00 O ATOM 196 CB ARG A 13 -9.558 4.112 4.402 1.00 0.00 C ATOM 197 CG ARG A 13 -10.479 5.292 4.125 1.00 0.00 C ATOM 198 CD ARG A 13 -11.168 5.169 2.773 1.00 0.00 C ATOM 199 NE ARG A 13 -12.092 6.279 2.513 1.00 0.00 N ATOM 200 CZ ARG A 13 -11.718 7.551 2.332 1.00 0.00 C ATOM 201 NH1 ARG A 13 -10.430 7.888 2.346 1.00 0.00 N ATOM 202 NH2 ARG A 13 -12.641 8.489 2.130 1.00 0.00 N ATOM 0 H ARG A 13 -7.954 2.242 4.521 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.871 3.702 2.402 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -10.155 3.200 4.434 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.114 4.237 5.390 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.231 5.358 4.911 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.903 6.217 4.156 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.415 5.135 1.986 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.715 4.227 2.731 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.088 6.066 2.467 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.718 7.174 2.496 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.156 8.861 2.207 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.629 8.237 2.114 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -12.360 9.460 1.992 1.00 0.00 H new ATOM 216 N GLY A 14 -7.398 5.628 1.989 1.00 0.00 N ATOM 217 CA GLY A 14 -6.633 6.828 1.721 1.00 0.00 C ATOM 218 C GLY A 14 -5.585 6.604 0.648 1.00 0.00 C ATOM 219 O GLY A 14 -5.287 7.503 -0.140 1.00 0.00 O ATOM 0 H GLY A 14 -7.728 5.139 1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.307 7.626 1.409 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.148 7.161 2.638 1.00 0.00 H new ATOM 223 N GLU A 15 -5.025 5.402 0.625 1.00 0.00 N ATOM 224 CA GLU A 15 -4.005 5.048 -0.346 1.00 0.00 C ATOM 225 C GLU A 15 -4.630 4.384 -1.564 1.00 0.00 C ATOM 226 O GLU A 15 -5.507 3.529 -1.439 1.00 0.00 O ATOM 227 CB GLU A 15 -2.994 4.108 0.304 1.00 0.00 C ATOM 228 CG GLU A 15 -2.327 4.692 1.536 1.00 0.00 C ATOM 229 CD GLU A 15 -2.181 3.674 2.643 1.00 0.00 C ATOM 230 OE1 GLU A 15 -2.627 2.526 2.457 1.00 0.00 O ATOM 231 OE2 GLU A 15 -1.636 4.018 3.717 1.00 0.00 O ATOM 0 H GLU A 15 -5.264 4.652 1.274 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.499 5.955 -0.676 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -3.497 3.181 0.578 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -2.227 3.851 -0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.343 5.077 1.267 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -2.912 5.538 1.897 1.00 0.00 H new ATOM 238 N ARG A 16 -4.174 4.775 -2.740 1.00 0.00 N ATOM 239 CA ARG A 16 -4.679 4.213 -3.979 1.00 0.00 C ATOM 240 C ARG A 16 -3.592 3.383 -4.650 1.00 0.00 C ATOM 241 O ARG A 16 -2.437 3.807 -4.720 1.00 0.00 O ATOM 242 CB ARG A 16 -5.155 5.328 -4.918 1.00 0.00 C ATOM 243 CG ARG A 16 -5.850 4.825 -6.177 1.00 0.00 C ATOM 244 CD ARG A 16 -7.075 3.983 -5.841 1.00 0.00 C ATOM 245 NE ARG A 16 -7.841 3.591 -7.031 1.00 0.00 N ATOM 246 CZ ARG A 16 -7.415 2.735 -7.969 1.00 0.00 C ATOM 247 NH1 ARG A 16 -6.208 2.180 -7.883 1.00 0.00 N ATOM 248 NH2 ARG A 16 -8.205 2.438 -9.000 1.00 0.00 N ATOM 0 H ARG A 16 -3.451 5.484 -2.863 1.00 0.00 H new ATOM 0 HA ARG A 16 -5.529 3.569 -3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.839 5.980 -4.374 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.298 5.936 -5.207 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -6.148 5.674 -6.793 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.151 4.233 -6.768 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.759 3.087 -5.307 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -7.722 4.544 -5.167 1.00 0.00 H new ATOM 0 HE ARG A 16 -8.767 4.001 -7.152 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.598 2.405 -7.097 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.893 1.529 -8.603 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.130 2.862 -9.073 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.885 1.787 -9.717 1.00 0.00 H new ATOM 262 N VAL A 17 -3.964 2.197 -5.122 1.00 0.00 N ATOM 263 CA VAL A 17 -3.020 1.296 -5.776 1.00 0.00 C ATOM 264 C VAL A 17 -2.326 1.985 -6.944 1.00 0.00 C ATOM 265 O VAL A 17 -2.978 2.544 -7.833 1.00 0.00 O ATOM 266 CB VAL A 17 -3.718 0.022 -6.308 1.00 0.00 C ATOM 267 CG1 VAL A 17 -2.695 -0.987 -6.808 1.00 0.00 C ATOM 268 CG2 VAL A 17 -4.611 -0.598 -5.246 1.00 0.00 C ATOM 0 H VAL A 17 -4.916 1.836 -5.063 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.287 1.015 -5.020 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.349 0.313 -7.148 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.209 -1.874 -7.177 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.111 -0.544 -7.615 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.030 -1.267 -5.991 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.088 -1.492 -5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.010 -0.867 -4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.376 0.120 -4.950 1.00 0.00 H new ATOM 278 N ARG A 18 -1.007 1.935 -6.932 1.00 0.00 N ATOM 279 CA ARG A 18 -0.208 2.536 -7.984 1.00 0.00 C ATOM 280 C ARG A 18 0.597 1.467 -8.697 1.00 0.00 C ATOM 281 O ARG A 18 0.908 1.596 -9.878 1.00 0.00 O ATOM 282 CB ARG A 18 0.708 3.622 -7.420 1.00 0.00 C ATOM 283 CG ARG A 18 -0.036 4.868 -6.950 1.00 0.00 C ATOM 284 CD ARG A 18 -0.586 5.685 -8.112 1.00 0.00 C ATOM 285 NE ARG A 18 -1.625 4.971 -8.859 1.00 0.00 N ATOM 286 CZ ARG A 18 -2.200 5.436 -9.966 1.00 0.00 C ATOM 287 NH1 ARG A 18 -1.876 6.636 -10.434 1.00 0.00 N ATOM 288 NH2 ARG A 18 -3.106 4.699 -10.599 1.00 0.00 N ATOM 0 H ARG A 18 -0.463 1.480 -6.199 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.877 3.008 -8.704 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.273 3.210 -6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.431 3.908 -8.184 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -0.856 4.573 -6.295 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.637 5.489 -6.358 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.995 6.621 -7.732 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.229 5.944 -8.788 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.926 4.061 -8.509 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -1.185 7.204 -9.945 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.319 6.989 -11.282 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.359 3.780 -10.237 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.548 5.052 -11.447 1.00 0.00 H new ATOM 302 N GLY A 19 0.914 0.405 -7.974 1.00 0.00 N ATOM 303 CA GLY A 19 1.665 -0.681 -8.562 1.00 0.00 C ATOM 304 C GLY A 19 1.653 -1.918 -7.693 1.00 0.00 C ATOM 305 O GLY A 19 0.816 -2.052 -6.801 1.00 0.00 O ATOM 0 H GLY A 19 0.665 0.276 -6.993 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.248 -0.922 -9.540 1.00 0.00 H new ATOM 0 HA3 GLY A 19 2.695 -0.363 -8.724 1.00 0.00 H new ATOM 309 N THR A 20 2.584 -2.816 -7.950 1.00 0.00 N ATOM 310 CA THR A 20 2.694 -4.050 -7.194 1.00 0.00 C ATOM 311 C THR A 20 4.017 -4.098 -6.445 1.00 0.00 C ATOM 312 O THR A 20 5.037 -3.638 -6.953 1.00 0.00 O ATOM 313 CB THR A 20 2.584 -5.273 -8.123 1.00 0.00 C ATOM 314 OG1 THR A 20 3.391 -5.070 -9.291 1.00 0.00 O ATOM 315 CG2 THR A 20 1.138 -5.517 -8.531 1.00 0.00 C ATOM 0 H THR A 20 3.283 -2.712 -8.685 1.00 0.00 H new ATOM 0 HA THR A 20 1.874 -4.078 -6.477 1.00 0.00 H new ATOM 0 HB THR A 20 2.941 -6.149 -7.582 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.319 -5.851 -9.878 1.00 0.00 H new ATOM 0 HG21 THR A 20 1.087 -6.386 -9.187 1.00 0.00 H new ATOM 0 HG22 THR A 20 0.534 -5.698 -7.641 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.756 -4.642 -9.057 1.00 0.00 H new ATOM 323 N CYS A 21 3.998 -4.652 -5.244 1.00 0.00 N ATOM 324 CA CYS A 21 5.209 -4.757 -4.444 1.00 0.00 C ATOM 325 C CYS A 21 5.850 -6.109 -4.670 1.00 0.00 C ATOM 326 O CYS A 21 7.065 -6.237 -4.786 1.00 0.00 O ATOM 327 CB CYS A 21 4.884 -4.581 -2.963 1.00 0.00 C ATOM 328 SG CYS A 21 6.240 -3.855 -1.984 1.00 0.00 S ATOM 0 H CYS A 21 3.162 -5.035 -4.802 1.00 0.00 H new ATOM 0 HA CYS A 21 5.901 -3.971 -4.746 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.002 -3.947 -2.868 1.00 0.00 H new ATOM 0 HB3 CYS A 21 4.625 -5.552 -2.541 1.00 0.00 H new ATOM 333 N GLY A 22 5.004 -7.118 -4.732 1.00 0.00 N ATOM 334 CA GLY A 22 5.459 -8.466 -4.945 1.00 0.00 C ATOM 335 C GLY A 22 4.320 -9.446 -4.842 1.00 0.00 C ATOM 336 O GLY A 22 3.157 -9.075 -5.040 1.00 0.00 O ATOM 0 H GLY A 22 3.993 -7.023 -4.637 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.923 -8.545 -5.928 1.00 0.00 H new ATOM 0 HA3 GLY A 22 6.225 -8.715 -4.210 1.00 0.00 H new ATOM 340 N ILE A 23 4.641 -10.687 -4.522 1.00 0.00 N ATOM 341 CA ILE A 23 3.632 -11.725 -4.389 1.00 0.00 C ATOM 342 C ILE A 23 2.639 -11.373 -3.286 1.00 0.00 C ATOM 343 O ILE A 23 2.978 -11.395 -2.108 1.00 0.00 O ATOM 344 CB ILE A 23 4.258 -13.113 -4.089 1.00 0.00 C ATOM 345 CG1 ILE A 23 5.183 -13.568 -5.228 1.00 0.00 C ATOM 346 CG2 ILE A 23 3.168 -14.154 -3.861 1.00 0.00 C ATOM 347 CD1 ILE A 23 6.568 -12.952 -5.189 1.00 0.00 C ATOM 0 H ILE A 23 5.596 -11.002 -4.349 1.00 0.00 H new ATOM 0 HA ILE A 23 3.114 -11.784 -5.346 1.00 0.00 H new ATOM 0 HB ILE A 23 4.854 -13.015 -3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 23 5.279 -14.653 -5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.715 -13.322 -6.181 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.626 -15.121 -3.652 1.00 0.00 H new ATOM 0 HG22 ILE A 23 2.550 -13.855 -3.014 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.547 -14.232 -4.753 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.156 -13.326 -6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.486 -11.867 -5.259 1.00 0.00 H new ATOM 0 HD13 ILE A 23 7.059 -13.219 -4.253 1.00 0.00 H new ATOM 359 N ARG A 24 1.412 -11.056 -3.704 1.00 0.00 N ATOM 360 CA ARG A 24 0.316 -10.702 -2.796 1.00 0.00 C ATOM 361 C ARG A 24 0.471 -9.320 -2.156 1.00 0.00 C ATOM 362 O ARG A 24 -0.240 -9.013 -1.203 1.00 0.00 O ATOM 363 CB ARG A 24 0.156 -11.757 -1.690 1.00 0.00 C ATOM 364 CG ARG A 24 -0.469 -13.067 -2.153 1.00 0.00 C ATOM 365 CD ARG A 24 -1.945 -12.906 -2.513 1.00 0.00 C ATOM 366 NE ARG A 24 -2.151 -12.214 -3.791 1.00 0.00 N ATOM 367 CZ ARG A 24 -1.863 -12.738 -4.990 1.00 0.00 C ATOM 368 NH1 ARG A 24 -1.374 -13.972 -5.085 1.00 0.00 N ATOM 369 NH2 ARG A 24 -2.076 -12.028 -6.095 1.00 0.00 N ATOM 0 H ARG A 24 1.148 -11.037 -4.689 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.578 -10.672 -3.419 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.136 -11.968 -1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.457 -11.338 -0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.076 -13.441 -3.020 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.368 -13.814 -1.366 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.411 -13.890 -2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.448 -12.352 -1.721 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.539 -11.271 -3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.217 -14.524 -4.242 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.157 -14.365 -6.001 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.459 -11.085 -6.029 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.857 -12.427 -7.008 1.00 0.00 H new ATOM 383 N PHE A 25 1.356 -8.468 -2.673 1.00 0.00 N ATOM 384 CA PHE A 25 1.507 -7.140 -2.099 1.00 0.00 C ATOM 385 C PHE A 25 1.374 -6.081 -3.170 1.00 0.00 C ATOM 386 O PHE A 25 1.976 -6.177 -4.241 1.00 0.00 O ATOM 387 CB PHE A 25 2.840 -6.985 -1.363 1.00 0.00 C ATOM 388 CG PHE A 25 2.917 -7.783 -0.091 1.00 0.00 C ATOM 389 CD1 PHE A 25 3.067 -9.158 -0.125 1.00 0.00 C ATOM 390 CD2 PHE A 25 2.813 -7.156 1.140 1.00 0.00 C ATOM 391 CE1 PHE A 25 3.113 -9.896 1.039 1.00 0.00 C ATOM 392 CE2 PHE A 25 2.862 -7.888 2.311 1.00 0.00 C ATOM 393 CZ PHE A 25 3.011 -9.262 2.259 1.00 0.00 C ATOM 0 H PHE A 25 1.963 -8.670 -3.468 1.00 0.00 H new ATOM 0 HA PHE A 25 0.709 -7.009 -1.368 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.650 -7.292 -2.025 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.999 -5.932 -1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.149 -9.661 -1.077 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.692 -6.084 1.185 1.00 0.00 H new ATOM 0 HE1 PHE A 25 3.229 -10.969 0.995 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.784 -7.388 3.265 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.047 -9.837 3.172 1.00 0.00 H new ATOM 403 N LEU A 26 0.580 -5.079 -2.867 1.00 0.00 N ATOM 404 CA LEU A 26 0.336 -3.981 -3.780 1.00 0.00 C ATOM 405 C LEU A 26 0.984 -2.718 -3.244 1.00 0.00 C ATOM 406 O LEU A 26 1.007 -2.487 -2.035 1.00 0.00 O ATOM 407 CB LEU A 26 -1.168 -3.745 -3.982 1.00 0.00 C ATOM 408 CG LEU A 26 -1.957 -4.907 -4.607 1.00 0.00 C ATOM 409 CD1 LEU A 26 -2.252 -5.992 -3.582 1.00 0.00 C ATOM 410 CD2 LEU A 26 -3.249 -4.394 -5.222 1.00 0.00 C ATOM 0 H LEU A 26 0.084 -5.001 -1.979 1.00 0.00 H new ATOM 0 HA LEU A 26 0.771 -4.240 -4.745 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.611 -3.510 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.296 -2.865 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.341 -5.348 -5.391 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.811 -6.799 -4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.315 -6.384 -3.187 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.842 -5.572 -2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.799 -5.227 -5.661 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.858 -3.924 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.018 -3.663 -5.997 1.00 0.00 H new ATOM 422 N TYR A 27 1.499 -1.908 -4.141 1.00 0.00 N ATOM 423 CA TYR A 27 2.134 -0.661 -3.768 1.00 0.00 C ATOM 424 C TYR A 27 1.101 0.449 -3.885 1.00 0.00 C ATOM 425 O TYR A 27 0.652 0.787 -4.990 1.00 0.00 O ATOM 426 CB TYR A 27 3.329 -0.396 -4.685 1.00 0.00 C ATOM 427 CG TYR A 27 4.324 0.624 -4.172 1.00 0.00 C ATOM 428 CD1 TYR A 27 4.733 0.625 -2.844 1.00 0.00 C ATOM 429 CD2 TYR A 27 4.874 1.571 -5.026 1.00 0.00 C ATOM 430 CE1 TYR A 27 5.661 1.538 -2.383 1.00 0.00 C ATOM 431 CE2 TYR A 27 5.800 2.491 -4.573 1.00 0.00 C ATOM 432 CZ TYR A 27 6.191 2.470 -3.252 1.00 0.00 C ATOM 433 OH TYR A 27 7.115 3.383 -2.794 1.00 0.00 O ATOM 0 H TYR A 27 1.491 -2.092 -5.144 1.00 0.00 H new ATOM 0 HA TYR A 27 2.503 -0.707 -2.743 1.00 0.00 H new ATOM 0 HB2 TYR A 27 3.852 -1.337 -4.854 1.00 0.00 H new ATOM 0 HB3 TYR A 27 2.956 -0.061 -5.653 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.318 -0.101 -2.160 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.572 1.589 -6.063 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.970 1.523 -1.348 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.215 3.222 -5.251 1.00 0.00 H new ATOM 0 HH TYR A 27 7.390 3.968 -3.531 1.00 0.00 H new ATOM 443 N CYS A 28 0.695 0.970 -2.746 1.00 0.00 N ATOM 444 CA CYS A 28 -0.328 2.002 -2.699 1.00 0.00 C ATOM 445 C CYS A 28 0.243 3.361 -2.335 1.00 0.00 C ATOM 446 O CYS A 28 1.081 3.479 -1.442 1.00 0.00 O ATOM 447 CB CYS A 28 -1.402 1.622 -1.683 1.00 0.00 C ATOM 448 SG CYS A 28 -1.967 -0.101 -1.812 1.00 0.00 S ATOM 0 H CYS A 28 1.058 0.696 -1.833 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.758 2.075 -3.698 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.014 1.792 -0.679 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.258 2.285 -1.810 1.00 0.00 H new ATOM 453 N CYS A 29 -0.245 4.384 -3.011 1.00 0.00 N ATOM 454 CA CYS A 29 0.174 5.752 -2.753 1.00 0.00 C ATOM 455 C CYS A 29 -1.049 6.586 -2.407 1.00 0.00 C ATOM 456 O CYS A 29 -2.073 6.482 -3.083 1.00 0.00 O ATOM 457 CB CYS A 29 0.876 6.352 -3.975 1.00 0.00 C ATOM 458 SG CYS A 29 2.292 5.377 -4.585 1.00 0.00 S ATOM 0 H CYS A 29 -0.940 4.293 -3.752 1.00 0.00 H new ATOM 0 HA CYS A 29 0.879 5.753 -1.922 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.149 6.458 -4.781 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.222 7.355 -3.724 1.00 0.00 H new ATOM 463 N PRO A 30 -0.976 7.407 -1.350 1.00 0.00 N ATOM 464 CA PRO A 30 -2.100 8.246 -0.927 1.00 0.00 C ATOM 465 C PRO A 30 -2.611 9.128 -2.059 1.00 0.00 C ATOM 466 O PRO A 30 -1.832 9.605 -2.885 1.00 0.00 O ATOM 467 CB PRO A 30 -1.518 9.102 0.195 1.00 0.00 C ATOM 468 CG PRO A 30 -0.350 8.327 0.702 1.00 0.00 C ATOM 469 CD PRO A 30 0.201 7.578 -0.480 1.00 0.00 C ATOM 0 HA PRO A 30 -2.956 7.649 -0.614 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -1.213 10.081 -0.173 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -2.251 9.272 0.983 1.00 0.00 H new ATOM 0 HG2 PRO A 30 0.403 8.991 1.128 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.652 7.640 1.492 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.992 8.138 -0.978 1.00 0.00 H new ATOM 0 HD3 PRO A 30 0.627 6.619 -0.186 1.00 0.00 H new ATOM 477 N ARG A 31 -3.922 9.321 -2.096 1.00 0.00 N ATOM 478 CA ARG A 31 -4.557 10.127 -3.133 1.00 0.00 C ATOM 479 C ARG A 31 -4.044 11.565 -3.083 1.00 0.00 C ATOM 480 O ARG A 31 -3.762 12.164 -4.121 1.00 0.00 O ATOM 481 CB ARG A 31 -6.084 10.105 -2.957 1.00 0.00 C ATOM 482 CG ARG A 31 -6.882 10.227 -4.258 1.00 0.00 C ATOM 483 CD ARG A 31 -6.600 11.529 -4.998 1.00 0.00 C ATOM 484 NE ARG A 31 -6.837 12.708 -4.161 1.00 0.00 N ATOM 485 CZ ARG A 31 -8.034 13.214 -3.879 1.00 0.00 C ATOM 486 NH1 ARG A 31 -9.133 12.709 -4.434 1.00 0.00 N ATOM 487 NH2 ARG A 31 -8.122 14.241 -3.044 1.00 0.00 N ATOM 0 H ARG A 31 -4.572 8.928 -1.415 1.00 0.00 H new ATOM 0 HA ARG A 31 -4.305 9.703 -4.105 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.365 9.176 -2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.371 10.921 -2.293 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -6.642 9.385 -4.907 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.947 10.164 -4.034 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.566 11.532 -5.341 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.231 11.584 -5.885 1.00 0.00 H new ATOM 0 HE ARG A 31 -6.022 13.176 -3.765 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.063 11.926 -5.083 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.046 13.105 -4.210 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.278 14.633 -2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -9.034 14.639 -2.819 1.00 0.00 H new ATOM 501 N ARG A 32 -3.944 12.105 -1.869 1.00 0.00 N ATOM 502 CA ARG A 32 -3.484 13.475 -1.658 1.00 0.00 C ATOM 503 C ARG A 32 -4.468 14.453 -2.307 1.00 0.00 C ATOM 504 O ARG A 32 -4.033 15.354 -3.050 1.00 0.00 O ATOM 505 CB ARG A 32 -2.062 13.659 -2.214 1.00 0.00 C ATOM 506 CG ARG A 32 -1.126 14.453 -1.306 1.00 0.00 C ATOM 507 CD ARG A 32 -1.610 15.880 -1.104 1.00 0.00 C ATOM 508 NE ARG A 32 -1.860 16.552 -2.378 1.00 0.00 N ATOM 509 CZ ARG A 32 -0.926 17.122 -3.135 1.00 0.00 C ATOM 510 NH1 ARG A 32 0.333 17.185 -2.714 1.00 0.00 N ATOM 511 NH2 ARG A 32 -1.258 17.631 -4.316 1.00 0.00 N ATOM 512 OXT ARG A 32 -5.684 14.296 -2.075 1.00 0.00 O ATOM 0 H ARG A 32 -4.178 11.608 -1.010 1.00 0.00 H new ATOM 0 HA ARG A 32 -3.446 13.682 -0.588 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.626 12.676 -2.394 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.125 14.162 -3.179 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -1.049 13.955 -0.339 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -0.125 14.466 -1.738 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.524 15.874 -0.511 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.866 16.440 -0.537 1.00 0.00 H new ATOM 0 HE ARG A 32 -2.823 16.587 -2.712 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.587 16.795 -1.806 1.00 0.00 H new ATOM 0 HH12 ARG A 32 1.045 17.623 -3.299 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.225 17.584 -4.638 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.546 18.069 -4.901 1.00 0.00 H new TER 526 ARG A 32