USER MOD reduce.3.24.130724 H: found=0, std=0, add=242, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 240 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 CYS N :NH3+ 180:sc=-0.00108 (180deg=-0.00108) USER MOD Single : A 5 HIS : no HD1:sc= -0.664 X(o=-0.66,f=-0.85) USER MOD Single : A 7 SER OG : rot 111:sc= 0.118 USER MOD Single : A 11 GLN : amide:sc= -8.49! C(o=-8.5!,f=-10!) USER MOD Single : A 12 GLN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -3.624 -7.749 8.341 1.00 0.00 N ATOM 2 CA CYS A 1 -2.809 -7.596 7.149 1.00 0.00 C ATOM 3 C CYS A 1 -3.570 -6.718 6.154 1.00 0.00 C ATOM 4 O CYS A 1 -4.724 -6.364 6.391 1.00 0.00 O ATOM 5 CB CYS A 1 -2.432 -8.950 6.544 1.00 0.00 C ATOM 6 SG CYS A 1 -3.832 -9.884 5.823 1.00 0.00 S ATOM 0 H1 CYS A 1 -3.122 -8.344 9.031 1.00 0.00 H new ATOM 0 H2 CYS A 1 -3.807 -6.814 8.759 1.00 0.00 H new ATOM 0 H3 CYS A 1 -4.527 -8.198 8.089 1.00 0.00 H new ATOM 0 HA CYS A 1 -1.867 -7.113 7.410 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.683 -8.790 5.769 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -1.966 -9.561 7.317 1.00 0.00 H new ATOM 11 N VAL A 2 -2.893 -6.392 5.063 1.00 0.00 N ATOM 12 CA VAL A 2 -3.492 -5.561 4.032 1.00 0.00 C ATOM 13 C VAL A 2 -3.207 -6.175 2.659 1.00 0.00 C ATOM 14 O VAL A 2 -2.164 -6.793 2.457 1.00 0.00 O ATOM 15 CB VAL A 2 -2.988 -4.122 4.160 1.00 0.00 C ATOM 16 CG1 VAL A 2 -2.822 -3.475 2.784 1.00 0.00 C ATOM 17 CG2 VAL A 2 -3.919 -3.293 5.047 1.00 0.00 C ATOM 0 H VAL A 2 -1.936 -6.688 4.870 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.575 -5.523 4.153 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.008 -4.151 4.637 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.463 -2.453 2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.102 -4.046 2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.782 -3.464 2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.539 -2.274 5.122 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.918 -3.276 4.611 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.965 -3.737 6.041 1.00 0.00 H new ATOM 27 N ARG A 3 -4.153 -5.981 1.752 1.00 0.00 N ATOM 28 CA ARG A 3 -4.016 -6.508 0.405 1.00 0.00 C ATOM 29 C ARG A 3 -3.113 -5.600 -0.430 1.00 0.00 C ATOM 30 O ARG A 3 -2.794 -4.486 -0.018 1.00 0.00 O ATOM 31 CB ARG A 3 -5.379 -6.630 -0.280 1.00 0.00 C ATOM 32 CG ARG A 3 -6.468 -7.006 0.727 1.00 0.00 C ATOM 33 CD ARG A 3 -6.003 -8.144 1.638 1.00 0.00 C ATOM 34 NE ARG A 3 -5.204 -9.119 0.861 1.00 0.00 N ATOM 35 CZ ARG A 3 -5.708 -9.913 -0.092 1.00 0.00 C ATOM 36 NH1 ARG A 3 -7.012 -9.854 -0.394 1.00 0.00 N ATOM 37 NH2 ARG A 3 -4.908 -10.768 -0.745 1.00 0.00 N ATOM 0 H ARG A 3 -5.017 -5.466 1.923 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.570 -7.500 0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.634 -5.686 -0.761 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.329 -7.384 -1.065 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.727 -6.136 1.330 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.371 -7.306 0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.407 -7.744 2.458 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.865 -8.640 2.083 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.207 -9.190 1.065 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.622 -9.204 0.102 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.395 -10.459 -1.120 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.915 -10.814 -0.516 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -5.292 -11.373 -1.471 1.00 0.00 H new ATOM 51 N LEU A 4 -2.723 -6.111 -1.590 1.00 0.00 N ATOM 52 CA LEU A 4 -1.862 -5.360 -2.487 1.00 0.00 C ATOM 53 C LEU A 4 -2.569 -4.069 -2.904 1.00 0.00 C ATOM 54 O LEU A 4 -2.016 -2.980 -2.762 1.00 0.00 O ATOM 55 CB LEU A 4 -1.427 -6.232 -3.667 1.00 0.00 C ATOM 56 CG LEU A 4 -0.329 -5.651 -4.561 1.00 0.00 C ATOM 57 CD1 LEU A 4 0.545 -6.762 -5.146 1.00 0.00 C ATOM 58 CD2 LEU A 4 -0.926 -4.758 -5.650 1.00 0.00 C ATOM 0 H LEU A 4 -2.988 -7.036 -1.928 1.00 0.00 H new ATOM 0 HA LEU A 4 -0.942 -5.070 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.082 -7.190 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.302 -6.435 -4.285 1.00 0.00 H new ATOM 0 HG LEU A 4 0.316 -5.023 -3.947 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.317 -6.323 -5.777 1.00 0.00 H new ATOM 0 HD12 LEU A 4 1.013 -7.321 -4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.072 -7.434 -5.742 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.125 -4.358 -6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.607 -5.343 -6.268 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.472 -3.936 -5.187 1.00 0.00 H new ATOM 70 N HIS A 5 -3.783 -4.234 -3.411 1.00 0.00 N ATOM 71 CA HIS A 5 -4.571 -3.095 -3.851 1.00 0.00 C ATOM 72 C HIS A 5 -5.309 -2.490 -2.654 1.00 0.00 C ATOM 73 O HIS A 5 -6.501 -2.200 -2.737 1.00 0.00 O ATOM 74 CB HIS A 5 -5.513 -3.492 -4.988 1.00 0.00 C ATOM 75 CG HIS A 5 -6.444 -2.388 -5.429 1.00 0.00 C ATOM 76 ND1 HIS A 5 -7.820 -2.479 -5.318 1.00 0.00 N ATOM 77 CD2 HIS A 5 -6.182 -1.168 -5.981 1.00 0.00 C ATOM 78 CE1 HIS A 5 -8.352 -1.359 -5.786 1.00 0.00 C ATOM 79 NE2 HIS A 5 -7.335 -0.548 -6.197 1.00 0.00 N ATOM 0 H HIS A 5 -4.239 -5.139 -3.527 1.00 0.00 H new ATOM 0 HA HIS A 5 -3.912 -2.327 -4.255 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -4.918 -3.815 -5.843 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -6.107 -4.349 -4.671 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.202 -0.774 -6.204 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -9.406 -1.129 -5.834 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -7.443 0.381 -6.603 1.00 0.00 H new ATOM 88 N GLU A 6 -4.568 -2.316 -1.569 1.00 0.00 N ATOM 89 CA GLU A 6 -5.136 -1.750 -0.357 1.00 0.00 C ATOM 90 C GLU A 6 -4.129 -0.816 0.316 1.00 0.00 C ATOM 91 O GLU A 6 -3.139 -1.271 0.886 1.00 0.00 O ATOM 92 CB GLU A 6 -5.588 -2.853 0.602 1.00 0.00 C ATOM 93 CG GLU A 6 -6.976 -3.373 0.227 1.00 0.00 C ATOM 94 CD GLU A 6 -7.699 -3.942 1.450 1.00 0.00 C ATOM 95 OE1 GLU A 6 -7.036 -4.041 2.505 1.00 0.00 O ATOM 96 OE2 GLU A 6 -8.896 -4.266 1.302 1.00 0.00 O ATOM 0 H GLU A 6 -3.579 -2.557 -1.504 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.016 -1.167 -0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.871 -3.674 0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.603 -2.469 1.622 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.566 -2.565 -0.205 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.885 -4.145 -0.537 1.00 0.00 H new ATOM 103 N SER A 7 -4.417 0.475 0.228 1.00 0.00 N ATOM 104 CA SER A 7 -3.550 1.477 0.822 1.00 0.00 C ATOM 105 C SER A 7 -3.031 0.986 2.174 1.00 0.00 C ATOM 106 O SER A 7 -3.649 0.132 2.808 1.00 0.00 O ATOM 107 CB SER A 7 -4.281 2.811 0.985 1.00 0.00 C ATOM 108 OG SER A 7 -3.919 3.473 2.194 1.00 0.00 O ATOM 0 H SER A 7 -5.239 0.849 -0.246 1.00 0.00 H new ATOM 0 HA SER A 7 -2.704 1.637 0.153 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.053 3.456 0.136 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.357 2.639 0.974 1.00 0.00 H new ATOM 0 HG SER A 7 -3.397 4.275 1.984 1.00 0.00 H new ATOM 114 N CYS A 8 -1.900 1.546 2.577 1.00 0.00 N ATOM 115 CA CYS A 8 -1.292 1.177 3.844 1.00 0.00 C ATOM 116 C CYS A 8 -0.974 2.458 4.617 1.00 0.00 C ATOM 117 O CYS A 8 -0.316 2.414 5.655 1.00 0.00 O ATOM 118 CB CYS A 8 -0.047 0.310 3.641 1.00 0.00 C ATOM 119 SG CYS A 8 0.619 0.311 1.938 1.00 0.00 S ATOM 0 H CYS A 8 -1.389 2.253 2.048 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.989 0.570 4.421 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.732 0.653 4.321 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.286 -0.716 3.922 1.00 0.00 H new ATOM 124 N LEU A 9 -1.458 3.569 4.082 1.00 0.00 N ATOM 125 CA LEU A 9 -1.234 4.861 4.709 1.00 0.00 C ATOM 126 C LEU A 9 -1.331 4.709 6.229 1.00 0.00 C ATOM 127 O LEU A 9 -2.393 4.382 6.757 1.00 0.00 O ATOM 128 CB LEU A 9 -2.190 5.908 4.134 1.00 0.00 C ATOM 129 CG LEU A 9 -1.684 6.680 2.913 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.649 7.806 2.537 1.00 0.00 C ATOM 131 CD2 LEU A 9 -0.262 7.196 3.141 1.00 0.00 C ATOM 0 H LEU A 9 -2.004 3.602 3.221 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.230 5.223 4.488 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.122 5.411 3.864 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.427 6.625 4.920 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.646 5.994 2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.266 8.338 1.667 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.627 7.384 2.303 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.743 8.499 3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 9 0.073 7.741 2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.250 7.861 4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.406 6.354 3.323 1.00 0.00 H new ATOM 143 N GLY A 10 -0.208 4.953 6.888 1.00 0.00 N ATOM 144 CA GLY A 10 -0.153 4.847 8.336 1.00 0.00 C ATOM 145 C GLY A 10 -0.920 3.617 8.826 1.00 0.00 C ATOM 146 O GLY A 10 -1.921 3.745 9.527 1.00 0.00 O ATOM 0 H GLY A 10 0.671 5.224 6.446 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.886 4.785 8.660 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.574 5.746 8.786 1.00 0.00 H new ATOM 150 N GLN A 11 -0.418 2.454 8.437 1.00 0.00 N ATOM 151 CA GLN A 11 -1.044 1.202 8.828 1.00 0.00 C ATOM 152 C GLN A 11 -0.360 0.632 10.072 1.00 0.00 C ATOM 153 O GLN A 11 0.589 1.221 10.587 1.00 0.00 O ATOM 154 CB GLN A 11 -1.017 0.193 7.677 1.00 0.00 C ATOM 155 CG GLN A 11 -2.435 -0.173 7.235 1.00 0.00 C ATOM 156 CD GLN A 11 -2.627 -1.691 7.206 1.00 0.00 C ATOM 157 OE1 GLN A 11 -3.633 -2.223 7.643 1.00 0.00 O ATOM 158 NE2 GLN A 11 -1.607 -2.354 6.668 1.00 0.00 N ATOM 0 H GLN A 11 0.414 2.352 7.856 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.088 1.400 9.070 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.466 0.612 6.835 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.486 -0.706 7.989 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -3.159 0.276 7.915 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.629 0.240 6.245 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.794 -1.845 6.321 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.638 -3.371 6.602 1.00 0.00 H new ATOM 167 N GLN A 12 -0.868 -0.507 10.519 1.00 0.00 N ATOM 168 CA GLN A 12 -0.318 -1.161 11.693 1.00 0.00 C ATOM 169 C GLN A 12 -0.104 -2.651 11.418 1.00 0.00 C ATOM 170 O GLN A 12 0.408 -3.377 12.270 1.00 0.00 O ATOM 171 CB GLN A 12 -1.221 -0.953 12.911 1.00 0.00 C ATOM 172 CG GLN A 12 -0.471 -0.229 14.031 1.00 0.00 C ATOM 173 CD GLN A 12 -1.317 -0.167 15.305 1.00 0.00 C ATOM 174 OE1 GLN A 12 -2.441 0.307 15.312 1.00 0.00 O ATOM 175 NE2 GLN A 12 -0.716 -0.670 16.378 1.00 0.00 N ATOM 0 H GLN A 12 -1.655 -0.993 10.089 1.00 0.00 H new ATOM 0 HA GLN A 12 0.648 -0.709 11.917 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.099 -0.375 12.623 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.579 -1.917 13.272 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.467 -0.744 14.238 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.216 0.781 13.710 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.227 -1.052 16.303 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.198 -0.675 17.277 1.00 0.00 H new ATOM 184 N VAL A 13 -0.506 -3.064 10.225 1.00 0.00 N ATOM 185 CA VAL A 13 -0.365 -4.455 9.827 1.00 0.00 C ATOM 186 C VAL A 13 0.367 -4.524 8.486 1.00 0.00 C ATOM 187 O VAL A 13 0.301 -3.589 7.689 1.00 0.00 O ATOM 188 CB VAL A 13 -1.736 -5.133 9.796 1.00 0.00 C ATOM 189 CG1 VAL A 13 -1.782 -6.320 10.759 1.00 0.00 C ATOM 190 CG2 VAL A 13 -2.850 -4.130 10.107 1.00 0.00 C ATOM 0 H VAL A 13 -0.929 -2.460 9.521 1.00 0.00 H new ATOM 0 HA VAL A 13 0.235 -5.002 10.554 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.900 -5.514 8.788 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.767 -6.784 10.718 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.025 -7.050 10.473 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.587 -5.973 11.774 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.814 -4.637 10.079 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.692 -3.706 11.099 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.838 -3.331 9.365 1.00 0.00 H new ATOM 200 N PRO A 14 1.067 -5.671 8.271 1.00 0.00 N ATOM 201 CA PRO A 14 1.810 -5.875 7.039 1.00 0.00 C ATOM 202 C PRO A 14 0.868 -6.192 5.876 1.00 0.00 C ATOM 203 O PRO A 14 -0.350 -6.226 6.050 1.00 0.00 O ATOM 204 CB PRO A 14 2.775 -7.008 7.346 1.00 0.00 C ATOM 205 CG PRO A 14 2.222 -7.705 8.579 1.00 0.00 C ATOM 206 CD PRO A 14 1.167 -6.800 9.192 1.00 0.00 C ATOM 0 HA PRO A 14 2.350 -4.983 6.721 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.846 -7.699 6.506 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.779 -6.626 7.531 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.789 -8.669 8.311 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.019 -7.902 9.296 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.212 -7.316 9.291 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.458 -6.472 10.190 1.00 0.00 H new ATOM 214 N CYS A 15 1.466 -6.415 4.715 1.00 0.00 N ATOM 215 CA CYS A 15 0.695 -6.727 3.523 1.00 0.00 C ATOM 216 C CYS A 15 0.604 -8.249 3.396 1.00 0.00 C ATOM 217 O CYS A 15 1.624 -8.932 3.314 1.00 0.00 O ATOM 218 CB CYS A 15 1.302 -6.085 2.274 1.00 0.00 C ATOM 219 SG CYS A 15 0.541 -4.495 1.783 1.00 0.00 S ATOM 0 H CYS A 15 2.476 -6.386 4.574 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.308 -6.310 3.615 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.366 -5.925 2.446 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.215 -6.785 1.443 1.00 0.00 H new ATOM 224 N CYS A 16 -0.629 -8.736 3.384 1.00 0.00 N ATOM 225 CA CYS A 16 -0.867 -10.165 3.267 1.00 0.00 C ATOM 226 C CYS A 16 -0.081 -10.686 2.063 1.00 0.00 C ATOM 227 O CYS A 16 0.288 -11.858 2.019 1.00 0.00 O ATOM 228 CB CYS A 16 -2.360 -10.482 3.157 1.00 0.00 C ATOM 229 SG CYS A 16 -3.082 -11.297 4.627 1.00 0.00 S ATOM 0 H CYS A 16 -1.473 -8.167 3.453 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.522 -10.670 4.169 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.901 -9.554 2.971 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.518 -11.123 2.290 1.00 0.00 H new ATOM 234 N ASP A 17 0.149 -9.791 1.114 1.00 0.00 N ATOM 235 CA ASP A 17 0.884 -10.146 -0.088 1.00 0.00 C ATOM 236 C ASP A 17 2.361 -9.795 0.100 1.00 0.00 C ATOM 237 O ASP A 17 2.713 -8.623 0.230 1.00 0.00 O ATOM 238 CB ASP A 17 0.364 -9.369 -1.300 1.00 0.00 C ATOM 239 CG ASP A 17 -0.901 -9.944 -1.942 1.00 0.00 C ATOM 240 OD1 ASP A 17 -1.046 -11.185 -1.898 1.00 0.00 O ATOM 241 OD2 ASP A 17 -1.694 -9.128 -2.461 1.00 0.00 O ATOM 0 H ASP A 17 -0.161 -8.820 1.153 1.00 0.00 H new ATOM 0 HA ASP A 17 0.753 -11.214 -0.260 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.164 -8.342 -0.996 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.151 -9.331 -2.053 1.00 0.00 H new ATOM 246 N PRO A 18 3.207 -10.860 0.107 1.00 0.00 N ATOM 247 CA PRO A 18 4.639 -10.676 0.277 1.00 0.00 C ATOM 248 C PRO A 18 5.278 -10.133 -1.003 1.00 0.00 C ATOM 249 O PRO A 18 6.318 -9.480 -0.953 1.00 0.00 O ATOM 250 CB PRO A 18 5.168 -12.046 0.670 1.00 0.00 C ATOM 251 CG PRO A 18 4.095 -13.041 0.255 1.00 0.00 C ATOM 252 CD PRO A 18 2.826 -12.261 -0.045 1.00 0.00 C ATOM 0 HA PRO A 18 4.880 -9.937 1.041 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.113 -12.258 0.169 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.357 -12.099 1.742 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.414 -13.602 -0.623 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.919 -13.766 1.050 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.464 -12.466 -1.053 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.024 -12.530 0.642 1.00 0.00 H new ATOM 260 N ALA A 19 4.627 -10.424 -2.120 1.00 0.00 N ATOM 261 CA ALA A 19 5.119 -9.973 -3.411 1.00 0.00 C ATOM 262 C ALA A 19 4.638 -8.543 -3.663 1.00 0.00 C ATOM 263 O ALA A 19 4.785 -8.021 -4.768 1.00 0.00 O ATOM 264 CB ALA A 19 4.657 -10.944 -4.500 1.00 0.00 C ATOM 0 H ALA A 19 3.764 -10.966 -2.158 1.00 0.00 H new ATOM 0 HA ALA A 19 6.209 -9.962 -3.425 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.026 -10.606 -5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.048 -11.939 -4.290 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.568 -10.979 -4.518 1.00 0.00 H new ATOM 270 N ALA A 20 4.076 -7.949 -2.621 1.00 0.00 N ATOM 271 CA ALA A 20 3.574 -6.589 -2.716 1.00 0.00 C ATOM 272 C ALA A 20 4.586 -5.631 -2.086 1.00 0.00 C ATOM 273 O ALA A 20 5.425 -6.045 -1.289 1.00 0.00 O ATOM 274 CB ALA A 20 2.198 -6.505 -2.051 1.00 0.00 C ATOM 0 H ALA A 20 3.957 -8.385 -1.706 1.00 0.00 H new ATOM 0 HA ALA A 20 3.450 -6.298 -3.759 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.821 -5.485 -2.122 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.508 -7.182 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.283 -6.788 -1.002 1.00 0.00 H new ATOM 280 N THR A 21 4.473 -4.366 -2.468 1.00 0.00 N ATOM 281 CA THR A 21 5.368 -3.346 -1.949 1.00 0.00 C ATOM 282 C THR A 21 4.587 -2.079 -1.600 1.00 0.00 C ATOM 283 O THR A 21 4.120 -1.368 -2.489 1.00 0.00 O ATOM 284 CB THR A 21 6.471 -3.115 -2.985 1.00 0.00 C ATOM 285 OG1 THR A 21 7.659 -3.552 -2.332 1.00 0.00 O ATOM 286 CG2 THR A 21 6.719 -1.628 -3.253 1.00 0.00 C ATOM 0 H THR A 21 3.776 -4.025 -3.130 1.00 0.00 H new ATOM 0 HA THR A 21 5.837 -3.667 -1.019 1.00 0.00 H new ATOM 0 HB THR A 21 6.204 -3.613 -3.917 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.424 -3.439 -2.934 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.510 -1.519 -3.995 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.804 -1.168 -3.628 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.019 -1.137 -2.328 1.00 0.00 H new ATOM 294 N CYS A 22 4.468 -1.834 -0.303 1.00 0.00 N ATOM 295 CA CYS A 22 3.751 -0.665 0.175 1.00 0.00 C ATOM 296 C CYS A 22 4.525 0.583 -0.256 1.00 0.00 C ATOM 297 O CYS A 22 5.408 1.050 0.461 1.00 0.00 O ATOM 298 CB CYS A 22 3.541 -0.710 1.690 1.00 0.00 C ATOM 299 SG CYS A 22 2.636 0.722 2.382 1.00 0.00 S ATOM 0 H CYS A 22 4.856 -2.426 0.431 1.00 0.00 H new ATOM 0 HA CYS A 22 2.754 -0.643 -0.264 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.997 -1.621 1.940 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.515 -0.776 2.176 1.00 0.00 H new ATOM 304 N TYR A 23 4.164 1.089 -1.427 1.00 0.00 N ATOM 305 CA TYR A 23 4.812 2.272 -1.963 1.00 0.00 C ATOM 306 C TYR A 23 3.787 3.362 -2.285 1.00 0.00 C ATOM 307 O TYR A 23 2.614 3.067 -2.513 1.00 0.00 O ATOM 308 CB TYR A 23 5.494 1.831 -3.259 1.00 0.00 C ATOM 309 CG TYR A 23 4.727 2.215 -4.527 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.521 1.611 -4.815 1.00 0.00 C ATOM 311 CD2 TYR A 23 5.244 3.167 -5.383 1.00 0.00 C ATOM 312 CE1 TYR A 23 2.800 1.972 -6.008 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.523 3.529 -6.576 1.00 0.00 C ATOM 314 CZ TYR A 23 3.336 2.913 -6.829 1.00 0.00 C ATOM 315 OH TYR A 23 2.656 3.255 -7.956 1.00 0.00 O ATOM 0 H TYR A 23 3.430 0.700 -2.019 1.00 0.00 H new ATOM 0 HA TYR A 23 5.516 2.683 -1.240 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.490 2.272 -3.302 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.625 0.749 -3.239 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.117 0.866 -4.145 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.189 3.640 -5.158 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.855 1.506 -6.245 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.915 4.272 -7.254 1.00 0.00 H new ATOM 0 HH TYR A 23 3.158 3.940 -8.446 1.00 0.00 H new ATOM 325 N CYS A 24 4.266 4.597 -2.294 1.00 0.00 N ATOM 326 CA CYS A 24 3.406 5.731 -2.585 1.00 0.00 C ATOM 327 C CYS A 24 3.776 6.274 -3.966 1.00 0.00 C ATOM 328 O CYS A 24 4.944 6.558 -4.233 1.00 0.00 O ATOM 329 CB CYS A 24 3.504 6.809 -1.502 1.00 0.00 C ATOM 330 SG CYS A 24 3.896 6.180 0.172 1.00 0.00 S ATOM 0 H CYS A 24 5.239 4.837 -2.104 1.00 0.00 H new ATOM 0 HA CYS A 24 2.365 5.408 -2.590 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.269 7.528 -1.793 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.558 7.349 -1.460 1.00 0.00 H new ATOM 335 N ARG A 25 2.762 6.403 -4.808 1.00 0.00 N ATOM 336 CA ARG A 25 2.967 6.908 -6.155 1.00 0.00 C ATOM 337 C ARG A 25 3.315 8.397 -6.118 1.00 0.00 C ATOM 338 O ARG A 25 4.263 8.834 -6.767 1.00 0.00 O ATOM 339 CB ARG A 25 1.717 6.704 -7.015 1.00 0.00 C ATOM 340 CG ARG A 25 1.935 7.237 -8.432 1.00 0.00 C ATOM 341 CD ARG A 25 1.756 8.757 -8.480 1.00 0.00 C ATOM 342 NE ARG A 25 0.721 9.174 -7.508 1.00 0.00 N ATOM 343 CZ ARG A 25 -0.505 9.596 -7.851 1.00 0.00 C ATOM 344 NH1 ARG A 25 -0.855 9.658 -9.142 1.00 0.00 N ATOM 345 NH2 ARG A 25 -1.378 9.956 -6.901 1.00 0.00 N ATOM 0 H ARG A 25 1.795 6.167 -4.584 1.00 0.00 H new ATOM 0 HA ARG A 25 3.793 6.350 -6.596 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.468 5.644 -7.056 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.869 7.213 -6.557 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.936 6.974 -8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.231 6.763 -9.115 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.701 9.250 -8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.469 9.066 -9.485 1.00 0.00 H new ATOM 0 HE ARG A 25 0.954 9.138 -6.516 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.189 9.384 -9.865 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.787 9.979 -9.403 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.110 9.909 -5.918 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.311 10.277 -7.161 1.00 0.00 H new ATOM 359 N PHE A 26 2.526 9.136 -5.350 1.00 0.00 N ATOM 360 CA PHE A 26 2.739 10.568 -5.219 1.00 0.00 C ATOM 361 C PHE A 26 3.679 10.878 -4.052 1.00 0.00 C ATOM 362 O PHE A 26 4.469 10.028 -3.644 1.00 0.00 O ATOM 363 CB PHE A 26 1.374 11.199 -4.940 1.00 0.00 C ATOM 364 CG PHE A 26 1.184 12.578 -5.576 1.00 0.00 C ATOM 365 CD1 PHE A 26 2.267 13.286 -5.998 1.00 0.00 C ATOM 366 CD2 PHE A 26 -0.065 13.096 -5.719 1.00 0.00 C ATOM 367 CE1 PHE A 26 2.090 14.566 -6.588 1.00 0.00 C ATOM 368 CE2 PHE A 26 -0.240 14.374 -6.309 1.00 0.00 C ATOM 369 CZ PHE A 26 0.841 15.083 -6.731 1.00 0.00 C ATOM 0 H PHE A 26 1.740 8.770 -4.813 1.00 0.00 H new ATOM 0 HA PHE A 26 3.191 10.962 -6.129 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.595 10.531 -5.306 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.239 11.286 -3.862 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.259 12.875 -5.884 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.924 12.534 -5.383 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.949 15.129 -6.923 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.232 14.784 -6.423 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.707 16.056 -7.180 1.00 0.00 H new ATOM 379 N PHE A 27 3.562 12.098 -3.548 1.00 0.00 N ATOM 380 CA PHE A 27 4.391 12.530 -2.436 1.00 0.00 C ATOM 381 C PHE A 27 3.873 11.963 -1.112 1.00 0.00 C ATOM 382 O PHE A 27 4.528 11.126 -0.493 1.00 0.00 O ATOM 383 CB PHE A 27 4.313 14.058 -2.388 1.00 0.00 C ATOM 384 CG PHE A 27 5.663 14.743 -2.170 1.00 0.00 C ATOM 385 CD1 PHE A 27 6.104 14.993 -0.908 1.00 0.00 C ATOM 386 CD2 PHE A 27 6.424 15.102 -3.239 1.00 0.00 C ATOM 387 CE1 PHE A 27 7.358 15.629 -0.706 1.00 0.00 C ATOM 388 CE2 PHE A 27 7.677 15.739 -3.038 1.00 0.00 C ATOM 389 CZ PHE A 27 8.117 15.988 -1.775 1.00 0.00 C ATOM 0 H PHE A 27 2.906 12.800 -3.889 1.00 0.00 H new ATOM 0 HA PHE A 27 5.413 12.178 -2.575 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.880 14.419 -3.321 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.634 14.352 -1.587 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.500 14.708 -0.059 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.075 14.902 -4.241 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.708 15.827 0.296 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.280 16.026 -3.887 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.070 16.471 -1.622 1.00 0.00 H new ATOM 399 N ASN A 28 2.702 12.443 -0.717 1.00 0.00 N ATOM 400 CA ASN A 28 2.089 11.995 0.520 1.00 0.00 C ATOM 401 C ASN A 28 0.569 11.978 0.355 1.00 0.00 C ATOM 402 O ASN A 28 -0.129 12.831 0.900 1.00 0.00 O ATOM 403 CB ASN A 28 2.428 12.938 1.677 1.00 0.00 C ATOM 404 CG ASN A 28 2.345 12.212 3.020 1.00 0.00 C ATOM 405 OD1 ASN A 28 1.298 12.115 3.639 1.00 0.00 O ATOM 406 ND2 ASN A 28 3.504 11.708 3.435 1.00 0.00 N ATOM 0 H ASN A 28 2.162 13.138 -1.233 1.00 0.00 H new ATOM 0 HA ASN A 28 2.471 10.999 0.743 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.431 13.342 1.539 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.741 13.784 1.674 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.553 11.204 4.321 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.343 11.825 2.868 1.00 0.00 H new ATOM 413 N ALA A 29 0.100 10.995 -0.400 1.00 0.00 N ATOM 414 CA ALA A 29 -1.326 10.855 -0.645 1.00 0.00 C ATOM 415 C ALA A 29 -1.667 9.374 -0.815 1.00 0.00 C ATOM 416 O ALA A 29 -2.057 8.708 0.144 1.00 0.00 O ATOM 417 CB ALA A 29 -1.719 11.687 -1.868 1.00 0.00 C ATOM 0 H ALA A 29 0.682 10.288 -0.850 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.899 11.231 0.203 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.788 11.582 -2.051 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.484 12.736 -1.686 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.165 11.337 -2.739 1.00 0.00 H new ATOM 423 N PHE A 30 -1.508 8.899 -2.042 1.00 0.00 N ATOM 424 CA PHE A 30 -1.794 7.508 -2.349 1.00 0.00 C ATOM 425 C PHE A 30 -0.593 6.616 -2.025 1.00 0.00 C ATOM 426 O PHE A 30 0.497 6.821 -2.557 1.00 0.00 O ATOM 427 CB PHE A 30 -2.079 7.432 -3.851 1.00 0.00 C ATOM 428 CG PHE A 30 -3.453 7.974 -4.251 1.00 0.00 C ATOM 429 CD1 PHE A 30 -3.651 9.315 -4.359 1.00 0.00 C ATOM 430 CD2 PHE A 30 -4.477 7.114 -4.500 1.00 0.00 C ATOM 431 CE1 PHE A 30 -4.926 9.818 -4.731 1.00 0.00 C ATOM 432 CE2 PHE A 30 -5.752 7.617 -4.871 1.00 0.00 C ATOM 433 CZ PHE A 30 -5.950 8.958 -4.979 1.00 0.00 C ATOM 0 H PHE A 30 -1.185 9.453 -2.835 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.640 7.162 -1.755 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.310 7.990 -4.385 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.001 6.394 -4.173 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.838 9.998 -4.162 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.320 6.049 -4.416 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.082 10.883 -4.817 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.565 6.934 -5.068 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.920 9.340 -5.262 1.00 0.00 H new ATOM 443 N CYS A 31 -0.835 5.648 -1.155 1.00 0.00 N ATOM 444 CA CYS A 31 0.213 4.724 -0.753 1.00 0.00 C ATOM 445 C CYS A 31 -0.417 3.347 -0.537 1.00 0.00 C ATOM 446 O CYS A 31 -1.233 3.168 0.367 1.00 0.00 O ATOM 447 CB CYS A 31 0.952 5.215 0.494 1.00 0.00 C ATOM 448 SG CYS A 31 2.694 4.668 0.618 1.00 0.00 S ATOM 0 H CYS A 31 -1.741 5.483 -0.717 1.00 0.00 H new ATOM 0 HA CYS A 31 0.965 4.659 -1.539 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.926 6.305 0.509 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.414 4.871 1.377 1.00 0.00 H new ATOM 453 N TYR A 32 -0.015 2.409 -1.382 1.00 0.00 N ATOM 454 CA TYR A 32 -0.531 1.052 -1.295 1.00 0.00 C ATOM 455 C TYR A 32 0.546 0.032 -1.669 1.00 0.00 C ATOM 456 O TYR A 32 1.676 0.403 -1.982 1.00 0.00 O ATOM 457 CB TYR A 32 -1.671 0.969 -2.312 1.00 0.00 C ATOM 458 CG TYR A 32 -1.556 1.975 -3.460 1.00 0.00 C ATOM 459 CD1 TYR A 32 -0.400 2.037 -4.211 1.00 0.00 C ATOM 460 CD2 TYR A 32 -2.610 2.820 -3.744 1.00 0.00 C ATOM 461 CE1 TYR A 32 -0.293 2.983 -5.290 1.00 0.00 C ATOM 462 CE2 TYR A 32 -2.502 3.767 -4.823 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.349 3.801 -5.543 1.00 0.00 C ATOM 464 OH TYR A 32 -1.247 4.695 -6.563 1.00 0.00 O ATOM 0 H TYR A 32 0.662 2.561 -2.130 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.860 0.830 -0.280 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.701 -0.038 -2.727 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.617 1.129 -1.795 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.424 1.376 -3.989 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.515 2.771 -3.157 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.606 3.042 -5.886 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.318 4.435 -5.055 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.077 5.212 -6.629 1.00 0.00 H new ATOM 474 N CYS A 33 0.157 -1.234 -1.623 1.00 0.00 N ATOM 475 CA CYS A 33 1.075 -2.311 -1.952 1.00 0.00 C ATOM 476 C CYS A 33 1.031 -2.535 -3.465 1.00 0.00 C ATOM 477 O CYS A 33 -0.018 -2.868 -4.016 1.00 0.00 O ATOM 478 CB CYS A 33 0.750 -3.589 -1.176 1.00 0.00 C ATOM 479 SG CYS A 33 1.747 -3.843 0.337 1.00 0.00 S ATOM 0 H CYS A 33 -0.781 -1.538 -1.363 1.00 0.00 H new ATOM 0 HA CYS A 33 2.086 -2.032 -1.656 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.304 -3.572 -0.901 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.893 -4.444 -1.836 1.00 0.00 H new ATOM 484 N ARG A 34 2.181 -2.342 -4.093 1.00 0.00 N ATOM 485 CA ARG A 34 2.285 -2.518 -5.532 1.00 0.00 C ATOM 486 C ARG A 34 3.111 -3.765 -5.855 1.00 0.00 C ATOM 487 O ARG A 34 4.021 -4.121 -5.109 1.00 0.00 O ATOM 488 CB ARG A 34 2.935 -1.300 -6.191 1.00 0.00 C ATOM 489 CG ARG A 34 3.201 -1.555 -7.676 1.00 0.00 C ATOM 490 CD ARG A 34 1.889 -1.704 -8.449 1.00 0.00 C ATOM 491 NE ARG A 34 2.042 -2.721 -9.513 1.00 0.00 N ATOM 492 CZ ARG A 34 1.831 -4.032 -9.335 1.00 0.00 C ATOM 493 NH1 ARG A 34 1.456 -4.493 -8.133 1.00 0.00 N ATOM 494 NH2 ARG A 34 1.993 -4.883 -10.357 1.00 0.00 N ATOM 0 H ARG A 34 3.048 -2.066 -3.633 1.00 0.00 H new ATOM 0 HA ARG A 34 1.275 -2.634 -5.926 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.286 -0.432 -6.078 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.872 -1.065 -5.685 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.781 -0.731 -8.092 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.801 -2.458 -7.792 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.088 -1.994 -7.769 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.605 -0.747 -8.887 1.00 0.00 H new ATOM 0 HE ARG A 34 2.326 -2.404 -10.440 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.331 -3.846 -7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.295 -5.491 -7.997 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.277 -4.533 -11.272 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.832 -5.881 -10.220 1.00 0.00 H new TER 508 ARG A 34