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 Set 1.1: A 1 GLY N :NH3+ -140:sc= 0.992 (180deg=-0.0998) USER MOD Set 1.2: A 27 TYR OH : rot 150:sc= -0.255 USER MOD Single : A 5 TYR OH : rot 72:sc= 0.0558 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.263 X(o=-0.26,f=-0.024) USER MOD Single : A 12 LYS NZ :NH3+ -120:sc= 1.13 (180deg=-0.377) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.0341 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.192 4.965 3.265 1.00 0.00 N ATOM 2 CA GLY A 1 7.383 6.358 2.803 1.00 0.00 C ATOM 3 C GLY A 1 6.987 7.348 3.869 1.00 0.00 C ATOM 4 O GLY A 1 7.271 7.131 5.046 1.00 0.00 O ATOM 0 H1 GLY A 1 7.986 4.378 2.937 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.154 4.946 4.304 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.302 4.590 2.879 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.427 6.513 2.530 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.789 6.530 1.905 1.00 0.00 H new ATOM 10 N LEU A 2 6.327 8.420 3.463 1.00 0.00 N ATOM 11 CA LEU A 2 5.884 9.448 4.397 1.00 0.00 C ATOM 12 C LEU A 2 4.605 9.028 5.109 1.00 0.00 C ATOM 13 O LEU A 2 4.474 9.205 6.318 1.00 0.00 O ATOM 14 CB LEU A 2 5.668 10.778 3.670 1.00 0.00 C ATOM 15 CG LEU A 2 6.922 11.386 3.039 1.00 0.00 C ATOM 16 CD1 LEU A 2 6.579 12.678 2.313 1.00 0.00 C ATOM 17 CD2 LEU A 2 7.986 11.636 4.097 1.00 0.00 C ATOM 0 H LEU A 2 6.084 8.604 2.489 1.00 0.00 H new ATOM 0 HA LEU A 2 6.666 9.578 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.923 10.630 2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.251 11.496 4.376 1.00 0.00 H new ATOM 0 HG LEU A 2 7.320 10.677 2.313 1.00 0.00 H new ATOM 0 HD11 LEU A 2 7.482 13.097 1.870 1.00 0.00 H new ATOM 0 HD12 LEU A 2 5.852 12.472 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.157 13.392 3.020 1.00 0.00 H new ATOM 0 HD21 LEU A 2 8.870 12.069 3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 2 7.598 12.326 4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 2 8.253 10.693 4.575 1.00 0.00 H new ATOM 29 N LEU A 3 3.658 8.478 4.358 1.00 0.00 N ATOM 30 CA LEU A 3 2.388 8.053 4.936 1.00 0.00 C ATOM 31 C LEU A 3 1.792 6.872 4.174 1.00 0.00 C ATOM 32 O LEU A 3 0.598 6.843 3.874 1.00 0.00 O ATOM 33 CB LEU A 3 1.401 9.231 4.990 1.00 0.00 C ATOM 34 CG LEU A 3 1.556 10.289 3.887 1.00 0.00 C ATOM 35 CD1 LEU A 3 1.086 9.761 2.541 1.00 0.00 C ATOM 36 CD2 LEU A 3 0.796 11.553 4.256 1.00 0.00 C ATOM 0 H LEU A 3 3.744 8.317 3.355 1.00 0.00 H new ATOM 0 HA LEU A 3 2.579 7.717 5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.387 8.833 4.944 1.00 0.00 H new ATOM 0 HB3 LEU A 3 1.506 9.724 5.956 1.00 0.00 H new ATOM 0 HG LEU A 3 2.616 10.527 3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.210 10.535 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 3 1.677 8.887 2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.034 9.482 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.915 12.293 3.465 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -0.262 11.319 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 3 1.189 11.954 5.190 1.00 0.00 H new ATOM 48 N CYS A 4 2.633 5.893 3.879 1.00 0.00 N ATOM 49 CA CYS A 4 2.203 4.694 3.169 1.00 0.00 C ATOM 50 C CYS A 4 1.515 3.727 4.122 1.00 0.00 C ATOM 51 O CYS A 4 1.720 3.790 5.334 1.00 0.00 O ATOM 52 CB CYS A 4 3.395 3.994 2.529 1.00 0.00 C ATOM 53 SG CYS A 4 4.510 5.098 1.612 1.00 0.00 S ATOM 0 H CYS A 4 3.624 5.904 4.121 1.00 0.00 H new ATOM 0 HA CYS A 4 1.502 5.000 2.392 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.965 3.487 3.308 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.028 3.224 1.851 1.00 0.00 H new ATOM 58 N TYR A 5 0.715 2.824 3.577 1.00 0.00 N ATOM 59 CA TYR A 5 0.018 1.849 4.397 1.00 0.00 C ATOM 60 C TYR A 5 0.145 0.442 3.841 1.00 0.00 C ATOM 61 O TYR A 5 0.143 0.217 2.624 1.00 0.00 O ATOM 62 CB TYR A 5 -1.457 2.235 4.589 1.00 0.00 C ATOM 63 CG TYR A 5 -2.155 2.735 3.340 1.00 0.00 C ATOM 64 CD1 TYR A 5 -2.323 1.922 2.227 1.00 0.00 C ATOM 65 CD2 TYR A 5 -2.656 4.029 3.286 1.00 0.00 C ATOM 66 CE1 TYR A 5 -2.967 2.384 1.096 1.00 0.00 C ATOM 67 CE2 TYR A 5 -3.302 4.498 2.160 1.00 0.00 C ATOM 68 CZ TYR A 5 -3.454 3.673 1.068 1.00 0.00 C ATOM 69 OH TYR A 5 -4.093 4.141 -0.054 1.00 0.00 O ATOM 0 H TYR A 5 0.534 2.747 2.576 1.00 0.00 H new ATOM 0 HA TYR A 5 0.499 1.854 5.375 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -1.998 1.367 4.967 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.518 3.008 5.355 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.944 0.911 2.246 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.538 4.680 4.140 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -3.088 1.739 0.238 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.686 5.507 2.136 1.00 0.00 H new ATOM 0 HH TYR A 5 -4.974 3.719 -0.129 1.00 0.00 H new ATOM 79 N CYS A 6 0.263 -0.494 4.764 1.00 0.00 N ATOM 80 CA CYS A 6 0.389 -1.898 4.444 1.00 0.00 C ATOM 81 C CYS A 6 -0.938 -2.589 4.713 1.00 0.00 C ATOM 82 O CYS A 6 -1.379 -2.668 5.861 1.00 0.00 O ATOM 83 CB CYS A 6 1.481 -2.515 5.304 1.00 0.00 C ATOM 84 SG CYS A 6 1.609 -4.324 5.194 1.00 0.00 S ATOM 0 H CYS A 6 0.274 -0.296 5.765 1.00 0.00 H new ATOM 0 HA CYS A 6 0.653 -2.019 3.393 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.438 -2.079 5.018 1.00 0.00 H new ATOM 0 HB3 CYS A 6 1.304 -2.240 6.344 1.00 0.00 H new ATOM 89 N ARG A 7 -1.581 -3.074 3.665 1.00 0.00 N ATOM 90 CA ARG A 7 -2.873 -3.747 3.808 1.00 0.00 C ATOM 91 C ARG A 7 -2.931 -5.003 2.942 1.00 0.00 C ATOM 92 O ARG A 7 -2.465 -5.008 1.803 1.00 0.00 O ATOM 93 CB ARG A 7 -4.043 -2.824 3.421 1.00 0.00 C ATOM 94 CG ARG A 7 -4.045 -1.445 4.079 1.00 0.00 C ATOM 95 CD ARG A 7 -4.046 -1.523 5.599 1.00 0.00 C ATOM 96 NE ARG A 7 -5.182 -2.278 6.134 1.00 0.00 N ATOM 97 CZ ARG A 7 -5.296 -2.625 7.420 1.00 0.00 C ATOM 98 NH1 ARG A 7 -4.315 -2.348 8.273 1.00 0.00 N ATOM 99 NH2 ARG A 7 -6.382 -3.265 7.848 1.00 0.00 N ATOM 0 H ARG A 7 -1.236 -3.018 2.707 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.970 -4.018 4.859 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -4.033 -2.690 2.339 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.977 -3.327 3.672 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.169 -0.887 3.748 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -4.922 -0.889 3.747 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -3.118 -1.987 5.934 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.063 -0.513 6.009 1.00 0.00 H new ATOM 0 HE ARG A 7 -5.925 -2.553 5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.475 -1.871 7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.402 -2.613 9.254 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -7.131 -3.492 7.194 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.465 -3.528 8.830 1.00 0.00 H new ATOM 113 N LYS A 8 -3.513 -6.058 3.495 1.00 0.00 N ATOM 114 CA LYS A 8 -3.653 -7.328 2.810 1.00 0.00 C ATOM 115 C LYS A 8 -4.642 -7.228 1.650 1.00 0.00 C ATOM 116 O LYS A 8 -5.605 -6.451 1.684 1.00 0.00 O ATOM 117 CB LYS A 8 -4.103 -8.406 3.808 1.00 0.00 C ATOM 118 CG LYS A 8 -4.365 -9.770 3.184 1.00 0.00 C ATOM 119 CD LYS A 8 -4.615 -10.835 4.241 1.00 0.00 C ATOM 120 CE LYS A 8 -3.358 -11.122 5.047 1.00 0.00 C ATOM 121 NZ LYS A 8 -3.599 -12.117 6.126 1.00 0.00 N ATOM 0 H LYS A 8 -3.903 -6.053 4.438 1.00 0.00 H new ATOM 0 HA LYS A 8 -2.684 -7.603 2.393 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -3.339 -8.513 4.578 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.012 -8.067 4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.227 -9.707 2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.512 -10.059 2.571 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.411 -10.507 4.910 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.959 -11.752 3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -2.578 -11.492 4.381 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.990 -10.195 5.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.716 -12.282 6.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -4.325 -11.754 6.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.925 -13.011 5.707 1.00 0.00 H new ATOM 135 N GLY A 9 -4.383 -8.029 0.635 1.00 0.00 N ATOM 136 CA GLY A 9 -5.224 -8.074 -0.547 1.00 0.00 C ATOM 137 C GLY A 9 -4.763 -7.124 -1.631 1.00 0.00 C ATOM 138 O GLY A 9 -4.335 -7.557 -2.696 1.00 0.00 O ATOM 0 H GLY A 9 -3.586 -8.665 0.605 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.235 -9.090 -0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -6.249 -7.830 -0.268 1.00 0.00 H new ATOM 142 N HIS A 10 -4.842 -5.831 -1.348 1.00 0.00 N ATOM 143 CA HIS A 10 -4.422 -4.792 -2.290 1.00 0.00 C ATOM 144 C HIS A 10 -4.646 -3.417 -1.678 1.00 0.00 C ATOM 145 O HIS A 10 -5.226 -2.530 -2.302 1.00 0.00 O ATOM 146 CB HIS A 10 -5.144 -4.909 -3.654 1.00 0.00 C ATOM 147 CG HIS A 10 -6.648 -4.851 -3.604 1.00 0.00 C ATOM 148 ND1 HIS A 10 -7.435 -4.942 -4.735 1.00 0.00 N ATOM 149 CD2 HIS A 10 -7.508 -4.714 -2.565 1.00 0.00 C ATOM 150 CE1 HIS A 10 -8.708 -4.864 -4.394 1.00 0.00 C ATOM 151 NE2 HIS A 10 -8.779 -4.727 -3.082 1.00 0.00 N ATOM 0 H HIS A 10 -5.197 -5.469 -0.463 1.00 0.00 H new ATOM 0 HA HIS A 10 -3.359 -4.932 -2.484 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -4.789 -4.108 -4.302 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -4.850 -5.849 -4.120 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -7.242 -4.613 -1.523 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -9.548 -4.905 -5.072 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -9.640 -4.644 -2.541 1.00 0.00 H new ATOM 159 N CYS A 11 -4.183 -3.264 -0.443 1.00 0.00 N ATOM 160 CA CYS A 11 -4.313 -2.010 0.291 1.00 0.00 C ATOM 161 C CYS A 11 -5.778 -1.597 0.456 1.00 0.00 C ATOM 162 O CYS A 11 -6.684 -2.441 0.387 1.00 0.00 O ATOM 163 CB CYS A 11 -3.475 -0.922 -0.389 1.00 0.00 C ATOM 164 SG CYS A 11 -1.701 -1.334 -0.422 1.00 0.00 S ATOM 0 H CYS A 11 -3.709 -4.002 0.077 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.927 -2.154 1.300 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -3.831 -0.777 -1.409 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.616 0.023 0.135 1.00 0.00 H new ATOM 169 N LYS A 12 -6.003 -0.312 0.705 1.00 0.00 N ATOM 170 CA LYS A 12 -7.345 0.227 0.913 1.00 0.00 C ATOM 171 C LYS A 12 -7.400 1.690 0.495 1.00 0.00 C ATOM 172 O LYS A 12 -6.408 2.405 0.619 1.00 0.00 O ATOM 173 CB LYS A 12 -7.764 0.101 2.386 1.00 0.00 C ATOM 174 CG LYS A 12 -8.113 -1.318 2.813 1.00 0.00 C ATOM 175 CD LYS A 12 -9.406 -1.791 2.166 1.00 0.00 C ATOM 176 CE LYS A 12 -9.626 -3.282 2.372 1.00 0.00 C ATOM 177 NZ LYS A 12 -8.617 -4.099 1.640 1.00 0.00 N ATOM 0 H LYS A 12 -5.262 0.386 0.769 1.00 0.00 H new ATOM 0 HA LYS A 12 -8.036 -0.351 0.299 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -6.954 0.470 3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.625 0.745 2.564 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.301 -1.992 2.540 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.211 -1.359 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -10.246 -1.238 2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.381 -1.571 1.099 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.577 -3.513 3.436 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.626 -3.552 2.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.100 -4.718 0.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.962 -3.470 1.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.083 -4.680 2.317 1.00 0.00 H new ATOM 191 N ARG A 13 -8.564 2.114 0.000 1.00 0.00 N ATOM 192 CA ARG A 13 -8.778 3.491 -0.453 1.00 0.00 C ATOM 193 C ARG A 13 -7.837 3.836 -1.601 1.00 0.00 C ATOM 194 O ARG A 13 -7.260 4.922 -1.637 1.00 0.00 O ATOM 195 CB ARG A 13 -8.590 4.496 0.692 1.00 0.00 C ATOM 196 CG ARG A 13 -9.579 4.333 1.835 1.00 0.00 C ATOM 197 CD ARG A 13 -9.490 5.498 2.812 1.00 0.00 C ATOM 198 NE ARG A 13 -10.442 5.371 3.920 1.00 0.00 N ATOM 199 CZ ARG A 13 -10.273 4.561 4.969 1.00 0.00 C ATOM 200 NH1 ARG A 13 -9.146 3.867 5.106 1.00 0.00 N ATOM 201 NH2 ARG A 13 -11.222 4.468 5.896 1.00 0.00 N ATOM 0 H ARG A 13 -9.384 1.515 -0.098 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.808 3.559 -0.804 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.578 4.396 1.085 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.678 5.506 0.292 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.591 4.266 1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.381 3.399 2.360 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.478 5.558 3.211 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.678 6.430 2.280 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.289 5.938 3.888 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.407 3.952 4.409 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -9.021 3.250 5.909 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.078 5.015 5.806 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.094 3.850 6.697 1.00 0.00 H new ATOM 215 N GLY A 14 -7.684 2.904 -2.531 1.00 0.00 N ATOM 216 CA GLY A 14 -6.804 3.124 -3.656 1.00 0.00 C ATOM 217 C GLY A 14 -5.351 3.107 -3.236 1.00 0.00 C ATOM 218 O GLY A 14 -4.863 2.102 -2.717 1.00 0.00 O ATOM 0 H GLY A 14 -8.155 1.999 -2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.975 2.354 -4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.038 4.082 -4.120 1.00 0.00 H new ATOM 222 N GLY A 15 -4.666 4.221 -3.446 1.00 0.00 N ATOM 223 CA GLY A 15 -3.273 4.311 -3.071 1.00 0.00 C ATOM 224 C GLY A 15 -2.350 3.863 -4.182 1.00 0.00 C ATOM 225 O GLY A 15 -2.696 2.989 -4.978 1.00 0.00 O ATOM 0 H GLY A 15 -5.052 5.065 -3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.038 5.340 -2.799 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.097 3.699 -2.186 1.00 0.00 H new ATOM 229 N ARG A 16 -1.169 4.453 -4.243 1.00 0.00 N ATOM 230 CA ARG A 16 -0.205 4.088 -5.265 1.00 0.00 C ATOM 231 C ARG A 16 0.650 2.941 -4.758 1.00 0.00 C ATOM 232 O ARG A 16 1.486 3.124 -3.869 1.00 0.00 O ATOM 233 CB ARG A 16 0.675 5.284 -5.641 1.00 0.00 C ATOM 234 CG ARG A 16 -0.102 6.465 -6.206 1.00 0.00 C ATOM 235 CD ARG A 16 -0.926 6.064 -7.420 1.00 0.00 C ATOM 236 NE ARG A 16 -0.098 5.510 -8.494 1.00 0.00 N ATOM 237 CZ ARG A 16 -0.584 5.036 -9.643 1.00 0.00 C ATOM 238 NH1 ARG A 16 -1.895 5.049 -9.867 1.00 0.00 N ATOM 239 NH2 ARG A 16 0.240 4.550 -10.566 1.00 0.00 N ATOM 0 H ARG A 16 -0.856 5.182 -3.602 1.00 0.00 H new ATOM 0 HA ARG A 16 -0.741 3.775 -6.161 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.224 5.611 -4.758 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.414 4.963 -6.375 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.760 6.870 -5.437 1.00 0.00 H new ATOM 0 HG3 ARG A 16 0.592 7.259 -6.483 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.673 5.327 -7.123 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -1.467 6.934 -7.793 1.00 0.00 H new ATOM 0 HE ARG A 16 0.912 5.485 -8.355 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.529 5.421 -9.160 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.266 4.687 -10.745 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.246 4.539 -10.397 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.134 4.188 -11.443 1.00 0.00 H new ATOM 253 N VAL A 17 0.416 1.759 -5.309 1.00 0.00 N ATOM 254 CA VAL A 17 1.146 0.566 -4.907 1.00 0.00 C ATOM 255 C VAL A 17 2.634 0.736 -5.167 1.00 0.00 C ATOM 256 O VAL A 17 3.050 1.046 -6.284 1.00 0.00 O ATOM 257 CB VAL A 17 0.651 -0.688 -5.657 1.00 0.00 C ATOM 258 CG1 VAL A 17 1.204 -1.955 -5.017 1.00 0.00 C ATOM 259 CG2 VAL A 17 -0.871 -0.726 -5.708 1.00 0.00 C ATOM 0 H VAL A 17 -0.278 1.600 -6.040 1.00 0.00 H new ATOM 0 HA VAL A 17 0.967 0.430 -3.840 1.00 0.00 H new ATOM 0 HB VAL A 17 1.021 -0.637 -6.681 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.842 -2.826 -5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.293 -1.934 -5.050 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.873 -2.013 -3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.195 -1.619 -6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.269 -0.745 -4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.240 0.160 -6.225 1.00 0.00 H new ATOM 269 N ARG A 18 3.427 0.526 -4.133 1.00 0.00 N ATOM 270 CA ARG A 18 4.868 0.639 -4.247 1.00 0.00 C ATOM 271 C ARG A 18 5.473 -0.741 -4.399 1.00 0.00 C ATOM 272 O ARG A 18 6.501 -0.913 -5.051 1.00 0.00 O ATOM 273 CB ARG A 18 5.459 1.350 -3.032 1.00 0.00 C ATOM 274 CG ARG A 18 5.001 2.789 -2.893 1.00 0.00 C ATOM 275 CD ARG A 18 5.346 3.613 -4.127 1.00 0.00 C ATOM 276 NE ARG A 18 6.793 3.718 -4.347 1.00 0.00 N ATOM 277 CZ ARG A 18 7.621 4.448 -3.593 1.00 0.00 C ATOM 278 NH1 ARG A 18 7.152 5.165 -2.575 1.00 0.00 N ATOM 279 NH2 ARG A 18 8.922 4.465 -3.866 1.00 0.00 N ATOM 0 H ARG A 18 3.095 0.275 -3.202 1.00 0.00 H new ATOM 0 HA ARG A 18 5.104 1.235 -5.128 1.00 0.00 H new ATOM 0 HB2 ARG A 18 5.186 0.801 -2.131 1.00 0.00 H new ATOM 0 HB3 ARG A 18 6.547 1.328 -3.101 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.924 2.814 -2.729 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.467 3.236 -2.015 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.881 3.161 -5.003 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.924 4.613 -4.022 1.00 0.00 H new ATOM 0 HE ARG A 18 7.194 3.199 -5.128 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.154 5.160 -2.365 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.791 5.719 -2.005 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.286 3.922 -4.649 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.556 5.021 -3.292 1.00 0.00 H new ATOM 293 N GLY A 19 4.820 -1.724 -3.795 1.00 0.00 N ATOM 294 CA GLY A 19 5.304 -3.081 -3.885 1.00 0.00 C ATOM 295 C GLY A 19 4.617 -4.006 -2.909 1.00 0.00 C ATOM 296 O GLY A 19 3.492 -3.743 -2.473 1.00 0.00 O ATOM 0 H GLY A 19 3.968 -1.604 -3.247 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.153 -3.451 -4.899 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.378 -3.093 -3.698 1.00 0.00 H new ATOM 300 N THR A 20 5.294 -5.084 -2.563 1.00 0.00 N ATOM 301 CA THR A 20 4.763 -6.060 -1.636 1.00 0.00 C ATOM 302 C THR A 20 5.170 -5.745 -0.202 1.00 0.00 C ATOM 303 O THR A 20 6.303 -5.342 0.058 1.00 0.00 O ATOM 304 CB THR A 20 5.242 -7.473 -2.007 1.00 0.00 C ATOM 305 OG1 THR A 20 6.641 -7.440 -2.321 1.00 0.00 O ATOM 306 CG2 THR A 20 4.462 -8.018 -3.193 1.00 0.00 C ATOM 0 H THR A 20 6.225 -5.306 -2.916 1.00 0.00 H new ATOM 0 HA THR A 20 3.676 -6.017 -1.704 1.00 0.00 H new ATOM 0 HB THR A 20 5.072 -8.130 -1.154 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.945 -8.342 -2.556 1.00 0.00 H new ATOM 0 HG21 THR A 20 4.820 -9.019 -3.435 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.402 -8.063 -2.942 1.00 0.00 H new ATOM 0 HG23 THR A 20 4.604 -7.364 -4.053 1.00 0.00 H new ATOM 314 N CYS A 21 4.246 -5.952 0.718 1.00 0.00 N ATOM 315 CA CYS A 21 4.497 -5.723 2.128 1.00 0.00 C ATOM 316 C CYS A 21 4.946 -7.033 2.774 1.00 0.00 C ATOM 317 O CYS A 21 5.750 -7.770 2.204 1.00 0.00 O ATOM 318 CB CYS A 21 3.242 -5.166 2.799 1.00 0.00 C ATOM 319 SG CYS A 21 3.493 -4.615 4.517 1.00 0.00 S ATOM 0 H CYS A 21 3.304 -6.282 0.510 1.00 0.00 H new ATOM 0 HA CYS A 21 5.290 -4.986 2.253 1.00 0.00 H new ATOM 0 HB2 CYS A 21 2.872 -4.326 2.211 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.466 -5.932 2.785 1.00 0.00 H new ATOM 324 N GLY A 22 4.428 -7.308 3.954 1.00 0.00 N ATOM 325 CA GLY A 22 4.776 -8.523 4.669 1.00 0.00 C ATOM 326 C GLY A 22 4.152 -9.778 4.072 1.00 0.00 C ATOM 327 O GLY A 22 3.954 -9.878 2.859 1.00 0.00 O ATOM 0 H GLY A 22 3.763 -6.706 4.440 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.860 -8.634 4.676 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.459 -8.428 5.708 1.00 0.00 H new ATOM 331 N ILE A 23 3.849 -10.745 4.931 1.00 0.00 N ATOM 332 CA ILE A 23 3.261 -12.008 4.496 1.00 0.00 C ATOM 333 C ILE A 23 1.857 -11.826 3.915 1.00 0.00 C ATOM 334 O ILE A 23 0.868 -11.728 4.643 1.00 0.00 O ATOM 335 CB ILE A 23 3.228 -13.072 5.631 1.00 0.00 C ATOM 336 CG1 ILE A 23 2.545 -12.544 6.911 1.00 0.00 C ATOM 337 CG2 ILE A 23 4.640 -13.559 5.935 1.00 0.00 C ATOM 338 CD1 ILE A 23 3.411 -11.643 7.774 1.00 0.00 C ATOM 0 H ILE A 23 4.002 -10.678 5.937 1.00 0.00 H new ATOM 0 HA ILE A 23 3.915 -12.375 3.705 1.00 0.00 H new ATOM 0 HB ILE A 23 2.628 -13.910 5.276 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.647 -11.996 6.626 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.222 -13.395 7.510 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.605 -14.303 6.731 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.072 -14.006 5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.255 -12.717 6.253 1.00 0.00 H new ATOM 0 HD11 ILE A 23 2.845 -11.323 8.649 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.297 -12.190 8.096 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.713 -10.769 7.198 1.00 0.00 H new ATOM 350 N ARG A 24 1.791 -11.795 2.584 1.00 0.00 N ATOM 351 CA ARG A 24 0.533 -11.634 1.852 1.00 0.00 C ATOM 352 C ARG A 24 -0.098 -10.271 2.133 1.00 0.00 C ATOM 353 O ARG A 24 -1.299 -10.164 2.388 1.00 0.00 O ATOM 354 CB ARG A 24 -0.457 -12.766 2.180 1.00 0.00 C ATOM 355 CG ARG A 24 -0.171 -14.080 1.456 1.00 0.00 C ATOM 356 CD ARG A 24 1.136 -14.718 1.913 1.00 0.00 C ATOM 357 NE ARG A 24 1.440 -15.954 1.182 1.00 0.00 N ATOM 358 CZ ARG A 24 0.770 -17.102 1.324 1.00 0.00 C ATOM 359 NH1 ARG A 24 -0.215 -17.202 2.212 1.00 0.00 N ATOM 360 NH2 ARG A 24 1.100 -18.159 0.586 1.00 0.00 N ATOM 0 H ARG A 24 2.609 -11.881 1.981 1.00 0.00 H new ATOM 0 HA ARG A 24 0.767 -11.689 0.789 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.442 -12.946 3.255 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.465 -12.437 1.926 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.993 -14.775 1.630 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.129 -13.899 0.382 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.951 -14.008 1.776 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.078 -14.935 2.980 1.00 0.00 H new ATOM 0 HE ARG A 24 2.216 -15.936 0.520 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.464 -16.399 2.790 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.722 -18.081 2.315 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.863 -18.093 -0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.589 -19.035 0.693 1.00 0.00 H new ATOM 374 N PHE A 25 0.725 -9.233 2.064 1.00 0.00 N ATOM 375 CA PHE A 25 0.276 -7.863 2.285 1.00 0.00 C ATOM 376 C PHE A 25 0.795 -6.964 1.170 1.00 0.00 C ATOM 377 O PHE A 25 1.860 -7.218 0.608 1.00 0.00 O ATOM 378 CB PHE A 25 0.771 -7.327 3.635 1.00 0.00 C ATOM 379 CG PHE A 25 -0.092 -7.683 4.813 1.00 0.00 C ATOM 380 CD1 PHE A 25 -0.095 -8.964 5.335 1.00 0.00 C ATOM 381 CD2 PHE A 25 -0.901 -6.724 5.401 1.00 0.00 C ATOM 382 CE1 PHE A 25 -0.886 -9.283 6.421 1.00 0.00 C ATOM 383 CE2 PHE A 25 -1.695 -7.036 6.485 1.00 0.00 C ATOM 384 CZ PHE A 25 -1.688 -8.318 6.996 1.00 0.00 C ATOM 0 H PHE A 25 1.720 -9.315 1.854 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.814 -7.863 2.289 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.777 -7.706 3.813 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.846 -6.241 3.573 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.529 -9.724 4.888 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.910 -5.719 5.005 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.877 -10.287 6.820 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.321 -6.278 6.933 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.309 -8.566 7.844 1.00 0.00 H new ATOM 394 N LEU A 26 0.049 -5.917 0.854 1.00 0.00 N ATOM 395 CA LEU A 26 0.449 -4.979 -0.188 1.00 0.00 C ATOM 396 C LEU A 26 0.888 -3.657 0.430 1.00 0.00 C ATOM 397 O LEU A 26 0.320 -3.213 1.432 1.00 0.00 O ATOM 398 CB LEU A 26 -0.693 -4.742 -1.186 1.00 0.00 C ATOM 399 CG LEU A 26 -0.814 -5.773 -2.316 1.00 0.00 C ATOM 400 CD1 LEU A 26 0.478 -5.846 -3.116 1.00 0.00 C ATOM 401 CD2 LEU A 26 -1.181 -7.145 -1.771 1.00 0.00 C ATOM 0 H LEU A 26 -0.839 -5.694 1.304 1.00 0.00 H new ATOM 0 HA LEU A 26 1.289 -5.415 -0.729 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.634 -4.722 -0.635 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -0.563 -3.756 -1.631 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.615 -5.449 -2.980 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.372 -6.583 -3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.692 -4.870 -3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.297 -6.138 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.260 -7.855 -2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.410 -7.479 -1.077 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.137 -7.086 -1.250 1.00 0.00 H new ATOM 413 N TYR A 27 1.903 -3.041 -0.160 1.00 0.00 N ATOM 414 CA TYR A 27 2.419 -1.774 0.335 1.00 0.00 C ATOM 415 C TYR A 27 2.112 -0.661 -0.663 1.00 0.00 C ATOM 416 O TYR A 27 2.645 -0.654 -1.783 1.00 0.00 O ATOM 417 CB TYR A 27 3.929 -1.877 0.565 1.00 0.00 C ATOM 418 CG TYR A 27 4.508 -0.741 1.378 1.00 0.00 C ATOM 419 CD1 TYR A 27 3.959 -0.391 2.604 1.00 0.00 C ATOM 420 CD2 TYR A 27 5.609 -0.025 0.922 1.00 0.00 C ATOM 421 CE1 TYR A 27 4.489 0.640 3.354 1.00 0.00 C ATOM 422 CE2 TYR A 27 6.144 1.010 1.667 1.00 0.00 C ATOM 423 CZ TYR A 27 5.580 1.338 2.881 1.00 0.00 C ATOM 424 OH TYR A 27 6.110 2.366 3.631 1.00 0.00 O ATOM 0 H TYR A 27 2.386 -3.400 -0.984 1.00 0.00 H new ATOM 0 HA TYR A 27 1.935 -1.539 1.283 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.145 -2.818 1.070 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.432 -1.911 -0.402 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.103 -0.934 2.977 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.053 -0.281 -0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 27 4.051 0.899 4.307 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.999 1.558 1.300 1.00 0.00 H new ATOM 0 HH TYR A 27 7.072 2.437 3.456 1.00 0.00 H new ATOM 434 N CYS A 28 1.245 0.266 -0.264 1.00 0.00 N ATOM 435 CA CYS A 28 0.856 1.369 -1.137 1.00 0.00 C ATOM 436 C CYS A 28 0.981 2.708 -0.423 1.00 0.00 C ATOM 437 O CYS A 28 0.731 2.812 0.779 1.00 0.00 O ATOM 438 CB CYS A 28 -0.590 1.199 -1.609 1.00 0.00 C ATOM 439 SG CYS A 28 -1.018 -0.489 -2.132 1.00 0.00 S ATOM 0 H CYS A 28 0.800 0.275 0.654 1.00 0.00 H new ATOM 0 HA CYS A 28 1.529 1.355 -1.994 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.260 1.497 -0.802 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.770 1.880 -2.441 1.00 0.00 H new ATOM 444 N CYS A 29 1.344 3.733 -1.177 1.00 0.00 N ATOM 445 CA CYS A 29 1.472 5.073 -0.633 1.00 0.00 C ATOM 446 C CYS A 29 0.435 5.982 -1.280 1.00 0.00 C ATOM 447 O CYS A 29 0.414 6.129 -2.502 1.00 0.00 O ATOM 448 CB CYS A 29 2.876 5.632 -0.890 1.00 0.00 C ATOM 449 SG CYS A 29 4.232 4.554 -0.320 1.00 0.00 S ATOM 0 H CYS A 29 1.556 3.661 -2.172 1.00 0.00 H new ATOM 0 HA CYS A 29 1.308 5.030 0.444 1.00 0.00 H new ATOM 0 HB2 CYS A 29 2.993 5.809 -1.959 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.965 6.599 -0.396 1.00 0.00 H new ATOM 454 N PRO A 30 -0.448 6.597 -0.480 1.00 0.00 N ATOM 455 CA PRO A 30 -1.487 7.489 -1.000 1.00 0.00 C ATOM 456 C PRO A 30 -0.878 8.717 -1.669 1.00 0.00 C ATOM 457 O PRO A 30 -1.385 9.211 -2.674 1.00 0.00 O ATOM 458 CB PRO A 30 -2.296 7.885 0.241 1.00 0.00 C ATOM 459 CG PRO A 30 -1.406 7.598 1.401 1.00 0.00 C ATOM 460 CD PRO A 30 -0.511 6.462 0.983 1.00 0.00 C ATOM 0 HA PRO A 30 -2.099 7.010 -1.764 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -2.573 8.939 0.210 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -3.222 7.314 0.305 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.819 8.477 1.666 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -1.990 7.328 2.281 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.477 6.541 1.437 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -0.922 5.497 1.280 1.00 0.00 H new ATOM 468 N ARG A 31 0.232 9.187 -1.112 1.00 0.00 N ATOM 469 CA ARG A 31 0.943 10.335 -1.658 1.00 0.00 C ATOM 470 C ARG A 31 2.427 10.013 -1.784 1.00 0.00 C ATOM 471 O ARG A 31 2.974 10.014 -2.886 1.00 0.00 O ATOM 472 CB ARG A 31 0.750 11.587 -0.786 1.00 0.00 C ATOM 473 CG ARG A 31 -0.495 12.401 -1.123 1.00 0.00 C ATOM 474 CD ARG A 31 -1.772 11.750 -0.608 1.00 0.00 C ATOM 475 NE ARG A 31 -1.871 11.788 0.857 1.00 0.00 N ATOM 476 CZ ARG A 31 -2.105 12.897 1.568 1.00 0.00 C ATOM 477 NH1 ARG A 31 -2.305 14.062 0.955 1.00 0.00 N ATOM 478 NH2 ARG A 31 -2.157 12.835 2.895 1.00 0.00 N ATOM 0 H ARG A 31 0.661 8.787 -0.277 1.00 0.00 H new ATOM 0 HA ARG A 31 0.530 10.548 -2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.699 11.283 0.259 1.00 0.00 H new ATOM 0 HB3 ARG A 31 1.627 12.226 -0.890 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.401 13.399 -0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.564 12.524 -2.204 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.635 12.257 -1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.809 10.714 -0.945 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.754 10.912 1.366 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.280 14.113 -0.063 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.483 14.903 1.504 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.019 11.943 3.370 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.335 13.680 3.438 1.00 0.00 H new ATOM 492 N ARG A 32 3.063 9.713 -0.652 1.00 0.00 N ATOM 493 CA ARG A 32 4.480 9.366 -0.614 1.00 0.00 C ATOM 494 C ARG A 32 4.775 8.544 0.629 1.00 0.00 C ATOM 495 O ARG A 32 3.862 8.398 1.468 1.00 0.00 O ATOM 496 CB ARG A 32 5.367 10.621 -0.610 1.00 0.00 C ATOM 497 CG ARG A 32 5.512 11.285 -1.968 1.00 0.00 C ATOM 498 CD ARG A 32 6.089 10.321 -2.997 1.00 0.00 C ATOM 499 NE ARG A 32 6.103 10.889 -4.347 1.00 0.00 N ATOM 500 CZ ARG A 32 6.921 11.865 -4.747 1.00 0.00 C ATOM 501 NH1 ARG A 32 7.831 12.360 -3.913 1.00 0.00 N ATOM 502 NH2 ARG A 32 6.834 12.335 -5.987 1.00 0.00 N ATOM 503 OXT ARG A 32 5.916 8.056 0.766 1.00 0.00 O ATOM 0 H ARG A 32 2.610 9.704 0.262 1.00 0.00 H new ATOM 0 HA ARG A 32 4.705 8.787 -1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.952 11.343 0.093 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.357 10.351 -0.242 1.00 0.00 H new ATOM 0 HG2 ARG A 32 4.539 11.642 -2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.159 12.158 -1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.105 10.051 -2.709 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.503 9.402 -2.998 1.00 0.00 H new ATOM 0 HE ARG A 32 5.443 10.513 -5.028 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.906 11.994 -2.964 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.454 13.106 -4.222 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.143 11.950 -6.631 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.458 13.081 -6.295 1.00 0.00 H new TER 517 ARG A 32