USER MOD reduce.3.24.130724 H: found=0, std=0, add=242, rem=0, adj=5 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+ -138:sc= 0.516 (180deg=0.0562) USER MOD Single : A 5 HIS : no HD1:sc= -2.99! C(o=-3!,f=-2.5!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -10.4! C(o=-10!,f=-16!) USER MOD Single : A 12 GLN : amide:sc= -0.0195 X(o=-0.019,f=-0.063) USER MOD Single : A 21 THR OG1 : rot 180:sc= -3.52! USER MOD Single : A 23 TYR OH : rot 180:sc= -0.995 USER MOD Single : A 28 ASN : amide:sc= -0.0461 K(o=-0.046,f=-1.3) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -3.372 -8.601 8.070 1.00 0.00 N ATOM 2 CA CYS A 1 -2.572 -7.990 7.025 1.00 0.00 C ATOM 3 C CYS A 1 -3.508 -7.226 6.086 1.00 0.00 C ATOM 4 O CYS A 1 -4.726 -7.358 6.177 1.00 0.00 O ATOM 5 CB CYS A 1 -1.734 -9.027 6.274 1.00 0.00 C ATOM 6 SG CYS A 1 -2.631 -10.555 5.820 1.00 0.00 S ATOM 0 H1 CYS A 1 -2.891 -8.490 8.985 1.00 0.00 H new ATOM 0 H2 CYS A 1 -4.303 -8.138 8.110 1.00 0.00 H new ATOM 0 H3 CYS A 1 -3.497 -9.613 7.865 1.00 0.00 H new ATOM 0 HA CYS A 1 -1.859 -7.296 7.470 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.343 -8.569 5.366 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -0.876 -9.296 6.890 1.00 0.00 H new ATOM 11 N VAL A 2 -2.901 -6.444 5.204 1.00 0.00 N ATOM 12 CA VAL A 2 -3.666 -5.659 4.250 1.00 0.00 C ATOM 13 C VAL A 2 -3.569 -6.310 2.868 1.00 0.00 C ATOM 14 O VAL A 2 -2.733 -7.185 2.647 1.00 0.00 O ATOM 15 CB VAL A 2 -3.185 -4.208 4.262 1.00 0.00 C ATOM 16 CG1 VAL A 2 -2.318 -3.906 3.037 1.00 0.00 C ATOM 17 CG2 VAL A 2 -4.366 -3.239 4.349 1.00 0.00 C ATOM 0 H VAL A 2 -1.889 -6.338 5.130 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.720 -5.640 4.528 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.570 -4.068 5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.989 -2.867 3.071 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.448 -4.562 3.037 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.899 -4.073 2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.996 -2.214 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.019 -3.383 3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.926 -3.429 5.265 1.00 0.00 H new ATOM 27 N ARG A 3 -4.437 -5.857 1.974 1.00 0.00 N ATOM 28 CA ARG A 3 -4.459 -6.383 0.620 1.00 0.00 C ATOM 29 C ARG A 3 -3.456 -5.634 -0.257 1.00 0.00 C ATOM 30 O ARG A 3 -2.927 -4.598 0.143 1.00 0.00 O ATOM 31 CB ARG A 3 -5.855 -6.262 0.005 1.00 0.00 C ATOM 32 CG ARG A 3 -6.835 -7.228 0.673 1.00 0.00 C ATOM 33 CD ARG A 3 -7.267 -6.709 2.047 1.00 0.00 C ATOM 34 NE ARG A 3 -6.641 -7.521 3.115 1.00 0.00 N ATOM 35 CZ ARG A 3 -7.164 -8.655 3.600 1.00 0.00 C ATOM 36 NH1 ARG A 3 -8.325 -9.117 3.116 1.00 0.00 N ATOM 37 NH2 ARG A 3 -6.528 -9.326 4.570 1.00 0.00 N ATOM 0 H ARG A 3 -5.130 -5.132 2.161 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.186 -7.437 0.669 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.216 -5.239 0.113 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.805 -6.471 -1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.711 -7.359 0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.369 -8.208 0.780 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.978 -5.664 2.157 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.353 -6.751 2.136 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.756 -7.197 3.506 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.810 -8.605 2.379 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.724 -9.980 3.485 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.645 -8.973 4.940 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.927 -10.189 4.939 1.00 0.00 H new ATOM 51 N LEU A 4 -3.221 -6.188 -1.440 1.00 0.00 N ATOM 52 CA LEU A 4 -2.291 -5.583 -2.377 1.00 0.00 C ATOM 53 C LEU A 4 -2.837 -4.229 -2.829 1.00 0.00 C ATOM 54 O LEU A 4 -2.166 -3.206 -2.684 1.00 0.00 O ATOM 55 CB LEU A 4 -1.996 -6.544 -3.532 1.00 0.00 C ATOM 56 CG LEU A 4 -1.038 -6.025 -4.607 1.00 0.00 C ATOM 57 CD1 LEU A 4 0.309 -6.745 -4.533 1.00 0.00 C ATOM 58 CD2 LEU A 4 -1.668 -6.129 -5.997 1.00 0.00 C ATOM 0 H LEU A 4 -3.659 -7.048 -1.769 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.332 -5.394 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.582 -7.463 -3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.940 -6.807 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.849 -4.968 -4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.971 -6.358 -5.307 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.758 -6.577 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 4 0.159 -7.814 -4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -0.967 -5.754 -6.743 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.904 -7.171 -6.212 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -2.582 -5.536 -6.027 1.00 0.00 H new ATOM 70 N HIS A 5 -4.046 -4.261 -3.368 1.00 0.00 N ATOM 71 CA HIS A 5 -4.689 -3.048 -3.841 1.00 0.00 C ATOM 72 C HIS A 5 -5.395 -2.351 -2.676 1.00 0.00 C ATOM 73 O HIS A 5 -6.545 -1.934 -2.801 1.00 0.00 O ATOM 74 CB HIS A 5 -5.631 -3.352 -5.008 1.00 0.00 C ATOM 75 CG HIS A 5 -4.926 -3.789 -6.269 1.00 0.00 C ATOM 76 ND1 HIS A 5 -5.560 -4.495 -7.276 1.00 0.00 N ATOM 77 CD2 HIS A 5 -3.637 -3.612 -6.677 1.00 0.00 C ATOM 78 CE1 HIS A 5 -4.681 -4.727 -8.240 1.00 0.00 C ATOM 79 NE2 HIS A 5 -3.490 -4.179 -7.867 1.00 0.00 N ATOM 0 H HIS A 5 -4.598 -5.110 -3.488 1.00 0.00 H new ATOM 0 HA HIS A 5 -3.936 -2.361 -4.226 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -6.328 -4.133 -4.705 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -6.223 -2.463 -5.225 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -2.865 -3.097 -6.124 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -4.874 -5.258 -9.161 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -2.628 -4.201 -8.413 1.00 0.00 H new ATOM 88 N GLU A 6 -4.676 -2.249 -1.567 1.00 0.00 N ATOM 89 CA GLU A 6 -5.217 -1.609 -0.380 1.00 0.00 C ATOM 90 C GLU A 6 -4.146 -0.755 0.299 1.00 0.00 C ATOM 91 O GLU A 6 -3.179 -1.285 0.846 1.00 0.00 O ATOM 92 CB GLU A 6 -5.787 -2.648 0.588 1.00 0.00 C ATOM 93 CG GLU A 6 -7.232 -2.999 0.228 1.00 0.00 C ATOM 94 CD GLU A 6 -7.957 -3.626 1.420 1.00 0.00 C ATOM 95 OE1 GLU A 6 -7.573 -3.288 2.560 1.00 0.00 O ATOM 96 OE2 GLU A 6 -8.880 -4.430 1.164 1.00 0.00 O ATOM 0 H GLU A 6 -3.723 -2.599 -1.466 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.034 -0.955 -0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.173 -3.549 0.563 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.746 -2.262 1.607 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.760 -2.100 -0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.243 -3.691 -0.614 1.00 0.00 H new ATOM 103 N SER A 7 -4.354 0.552 0.243 1.00 0.00 N ATOM 104 CA SER A 7 -3.416 1.485 0.848 1.00 0.00 C ATOM 105 C SER A 7 -2.885 0.915 2.163 1.00 0.00 C ATOM 106 O SER A 7 -3.569 0.141 2.831 1.00 0.00 O ATOM 107 CB SER A 7 -4.073 2.846 1.085 1.00 0.00 C ATOM 108 OG SER A 7 -3.680 3.417 2.331 1.00 0.00 O ATOM 0 H SER A 7 -5.157 0.988 -0.211 1.00 0.00 H new ATOM 0 HA SER A 7 -2.582 1.628 0.160 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.806 3.524 0.275 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.157 2.735 1.063 1.00 0.00 H new ATOM 0 HG SER A 7 -4.119 4.286 2.446 1.00 0.00 H new ATOM 114 N CYS A 8 -1.668 1.318 2.497 1.00 0.00 N ATOM 115 CA CYS A 8 -1.035 0.857 3.721 1.00 0.00 C ATOM 116 C CYS A 8 -0.400 2.062 4.417 1.00 0.00 C ATOM 117 O CYS A 8 0.352 1.903 5.377 1.00 0.00 O ATOM 118 CB CYS A 8 -0.013 -0.248 3.448 1.00 0.00 C ATOM 119 SG CYS A 8 0.571 -0.344 1.716 1.00 0.00 S ATOM 0 H CYS A 8 -1.103 1.959 1.941 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.785 0.414 4.376 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.848 -0.096 4.099 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.454 -1.207 3.721 1.00 0.00 H new ATOM 124 N LEU A 9 -0.729 3.240 3.908 1.00 0.00 N ATOM 125 CA LEU A 9 -0.200 4.472 4.469 1.00 0.00 C ATOM 126 C LEU A 9 -0.646 4.596 5.927 1.00 0.00 C ATOM 127 O LEU A 9 -1.836 4.510 6.224 1.00 0.00 O ATOM 128 CB LEU A 9 -0.594 5.669 3.601 1.00 0.00 C ATOM 129 CG LEU A 9 -1.593 6.646 4.222 1.00 0.00 C ATOM 130 CD1 LEU A 9 -0.902 7.580 5.217 1.00 0.00 C ATOM 131 CD2 LEU A 9 -2.347 7.421 3.138 1.00 0.00 C ATOM 0 H LEU A 9 -1.355 3.368 3.113 1.00 0.00 H new ATOM 0 HA LEU A 9 0.890 4.453 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.311 6.220 3.344 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.015 5.294 2.668 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.331 6.070 4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.636 8.264 5.644 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.448 6.991 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.129 8.151 4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.051 8.109 3.606 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.637 7.985 2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.891 6.722 2.502 1.00 0.00 H new ATOM 143 N GLY A 10 0.333 4.796 6.797 1.00 0.00 N ATOM 144 CA GLY A 10 0.056 4.932 8.217 1.00 0.00 C ATOM 145 C GLY A 10 -0.786 3.761 8.726 1.00 0.00 C ATOM 146 O GLY A 10 -1.696 3.949 9.533 1.00 0.00 O ATOM 0 H GLY A 10 1.319 4.867 6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.993 4.978 8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.469 5.869 8.401 1.00 0.00 H new ATOM 150 N GLN A 11 -0.453 2.576 8.236 1.00 0.00 N ATOM 151 CA GLN A 11 -1.166 1.374 8.631 1.00 0.00 C ATOM 152 C GLN A 11 -0.413 0.654 9.752 1.00 0.00 C ATOM 153 O GLN A 11 0.800 0.804 9.885 1.00 0.00 O ATOM 154 CB GLN A 11 -1.384 0.448 7.434 1.00 0.00 C ATOM 155 CG GLN A 11 -1.847 -0.938 7.890 1.00 0.00 C ATOM 156 CD GLN A 11 -2.399 -1.746 6.713 1.00 0.00 C ATOM 157 OE1 GLN A 11 -3.325 -2.531 6.845 1.00 0.00 O ATOM 158 NE2 GLN A 11 -1.781 -1.513 5.560 1.00 0.00 N ATOM 0 H GLN A 11 0.302 2.423 7.568 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.147 1.664 9.007 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.127 0.882 6.765 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.458 0.357 6.866 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.013 -1.473 8.344 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.615 -0.835 8.657 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.013 -0.843 5.519 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.075 -2.004 4.716 1.00 0.00 H new ATOM 167 N GLN A 12 -1.165 -0.112 10.528 1.00 0.00 N ATOM 168 CA GLN A 12 -0.583 -0.855 11.633 1.00 0.00 C ATOM 169 C GLN A 12 -0.333 -2.308 11.222 1.00 0.00 C ATOM 170 O GLN A 12 0.568 -2.959 11.749 1.00 0.00 O ATOM 171 CB GLN A 12 -1.477 -0.783 12.873 1.00 0.00 C ATOM 172 CG GLN A 12 -0.797 0.003 13.994 1.00 0.00 C ATOM 173 CD GLN A 12 -1.781 0.955 14.674 1.00 0.00 C ATOM 174 OE1 GLN A 12 -2.384 1.814 14.051 1.00 0.00 O ATOM 175 NE2 GLN A 12 -1.914 0.756 15.982 1.00 0.00 N ATOM 0 H GLN A 12 -2.171 -0.234 10.414 1.00 0.00 H new ATOM 0 HA GLN A 12 0.374 -0.399 11.888 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.425 -0.310 12.615 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.707 -1.791 13.219 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.387 -0.688 14.730 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.041 0.570 13.588 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.380 0.019 16.443 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.550 1.340 16.525 1.00 0.00 H new ATOM 184 N VAL A 13 -1.145 -2.774 10.284 1.00 0.00 N ATOM 185 CA VAL A 13 -1.023 -4.136 9.795 1.00 0.00 C ATOM 186 C VAL A 13 -0.201 -4.138 8.506 1.00 0.00 C ATOM 187 O VAL A 13 -0.279 -3.202 7.713 1.00 0.00 O ATOM 188 CB VAL A 13 -2.410 -4.757 9.622 1.00 0.00 C ATOM 189 CG1 VAL A 13 -2.612 -5.926 10.588 1.00 0.00 C ATOM 190 CG2 VAL A 13 -3.506 -3.704 9.798 1.00 0.00 C ATOM 0 H VAL A 13 -1.891 -2.231 9.849 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.494 -4.756 10.519 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.479 -5.147 8.607 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.606 -6.349 10.444 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.860 -6.691 10.395 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.514 -5.571 11.614 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.483 -4.171 9.670 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.438 -3.272 10.796 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.379 -2.919 9.053 1.00 0.00 H new ATOM 200 N PRO A 14 0.590 -5.232 8.331 1.00 0.00 N ATOM 201 CA PRO A 14 1.426 -5.370 7.149 1.00 0.00 C ATOM 202 C PRO A 14 0.586 -5.736 5.925 1.00 0.00 C ATOM 203 O PRO A 14 -0.642 -5.739 5.987 1.00 0.00 O ATOM 204 CB PRO A 14 2.446 -6.436 7.512 1.00 0.00 C ATOM 205 CG PRO A 14 1.864 -7.184 8.700 1.00 0.00 C ATOM 206 CD PRO A 14 0.708 -6.361 9.248 1.00 0.00 C ATOM 0 HA PRO A 14 1.924 -4.440 6.873 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.621 -7.110 6.674 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.406 -5.987 7.766 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.519 -8.173 8.397 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.624 -7.333 9.467 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.213 -6.943 9.280 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.908 -6.025 10.266 1.00 0.00 H new ATOM 214 N CYS A 15 1.284 -6.038 4.838 1.00 0.00 N ATOM 215 CA CYS A 15 0.619 -6.406 3.600 1.00 0.00 C ATOM 216 C CYS A 15 0.545 -7.933 3.530 1.00 0.00 C ATOM 217 O CYS A 15 1.543 -8.618 3.744 1.00 0.00 O ATOM 218 CB CYS A 15 1.327 -5.814 2.380 1.00 0.00 C ATOM 219 SG CYS A 15 0.535 -4.317 1.685 1.00 0.00 S ATOM 0 H CYS A 15 2.303 -6.035 4.790 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.390 -5.993 3.590 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.353 -5.571 2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.378 -6.576 1.602 1.00 0.00 H new ATOM 224 N CYS A 16 -0.651 -8.422 3.230 1.00 0.00 N ATOM 225 CA CYS A 16 -0.870 -9.855 3.130 1.00 0.00 C ATOM 226 C CYS A 16 0.136 -10.425 2.128 1.00 0.00 C ATOM 227 O CYS A 16 0.698 -11.498 2.348 1.00 0.00 O ATOM 228 CB CYS A 16 -2.312 -10.181 2.740 1.00 0.00 C ATOM 229 SG CYS A 16 -3.520 -10.078 4.110 1.00 0.00 S ATOM 0 H CYS A 16 -1.477 -7.851 3.053 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.714 -10.319 4.104 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.622 -9.499 1.949 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.342 -11.188 2.323 1.00 0.00 H new ATOM 234 N ASP A 17 0.333 -9.682 1.049 1.00 0.00 N ATOM 235 CA ASP A 17 1.262 -10.100 0.012 1.00 0.00 C ATOM 236 C ASP A 17 2.649 -9.531 0.315 1.00 0.00 C ATOM 237 O ASP A 17 2.842 -8.317 0.302 1.00 0.00 O ATOM 238 CB ASP A 17 0.826 -9.579 -1.360 1.00 0.00 C ATOM 239 CG ASP A 17 -0.352 -10.324 -1.988 1.00 0.00 C ATOM 240 OD1 ASP A 17 -0.106 -11.422 -2.532 1.00 0.00 O ATOM 241 OD2 ASP A 17 -1.475 -9.777 -1.913 1.00 0.00 O ATOM 0 H ASP A 17 -0.134 -8.793 0.870 1.00 0.00 H new ATOM 0 HA ASP A 17 1.281 -11.190 -0.005 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.562 -8.526 -1.265 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.676 -9.634 -2.040 1.00 0.00 H new ATOM 246 N PRO A 18 3.603 -10.460 0.590 1.00 0.00 N ATOM 247 CA PRO A 18 4.968 -10.063 0.896 1.00 0.00 C ATOM 248 C PRO A 18 5.708 -9.624 -0.368 1.00 0.00 C ATOM 249 O PRO A 18 6.659 -8.847 -0.298 1.00 0.00 O ATOM 250 CB PRO A 18 5.591 -11.281 1.559 1.00 0.00 C ATOM 251 CG PRO A 18 4.710 -12.460 1.180 1.00 0.00 C ATOM 252 CD PRO A 18 3.411 -11.907 0.615 1.00 0.00 C ATOM 0 HA PRO A 18 5.017 -9.198 1.557 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.614 -11.432 1.215 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.633 -11.157 2.641 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.210 -13.089 0.443 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.512 -13.085 2.051 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.216 -12.298 -0.384 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.560 -12.183 1.237 1.00 0.00 H new ATOM 260 N ALA A 19 5.246 -10.142 -1.498 1.00 0.00 N ATOM 261 CA ALA A 19 5.852 -9.814 -2.776 1.00 0.00 C ATOM 262 C ALA A 19 5.229 -8.525 -3.314 1.00 0.00 C ATOM 263 O ALA A 19 5.411 -8.185 -4.482 1.00 0.00 O ATOM 264 CB ALA A 19 5.683 -10.991 -3.739 1.00 0.00 C ATOM 0 H ALA A 19 4.458 -10.787 -1.553 1.00 0.00 H new ATOM 0 HA ALA A 19 6.922 -9.640 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 19 6.138 -10.744 -4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.169 -11.874 -3.323 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.622 -11.194 -3.882 1.00 0.00 H new ATOM 270 N ALA A 20 4.508 -7.843 -2.438 1.00 0.00 N ATOM 271 CA ALA A 20 3.856 -6.598 -2.811 1.00 0.00 C ATOM 272 C ALA A 20 4.848 -5.444 -2.658 1.00 0.00 C ATOM 273 O ALA A 20 5.986 -5.650 -2.238 1.00 0.00 O ATOM 274 CB ALA A 20 2.600 -6.404 -1.959 1.00 0.00 C ATOM 0 H ALA A 20 4.360 -8.128 -1.470 1.00 0.00 H new ATOM 0 HA ALA A 20 3.541 -6.627 -3.854 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.111 -5.471 -2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.916 -7.236 -2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.877 -6.367 -0.905 1.00 0.00 H new ATOM 280 N THR A 21 4.380 -4.254 -3.007 1.00 0.00 N ATOM 281 CA THR A 21 5.212 -3.066 -2.915 1.00 0.00 C ATOM 282 C THR A 21 4.408 -1.896 -2.346 1.00 0.00 C ATOM 283 O THR A 21 3.839 -1.105 -3.097 1.00 0.00 O ATOM 284 CB THR A 21 5.794 -2.786 -4.302 1.00 0.00 C ATOM 285 OG1 THR A 21 5.065 -3.654 -5.165 1.00 0.00 O ATOM 286 CG2 THR A 21 7.243 -3.260 -4.435 1.00 0.00 C ATOM 0 H THR A 21 3.435 -4.087 -3.354 1.00 0.00 H new ATOM 0 HA THR A 21 6.042 -3.217 -2.224 1.00 0.00 H new ATOM 0 HB THR A 21 5.741 -1.717 -4.509 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.377 -3.537 -6.087 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.608 -3.038 -5.438 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.863 -2.746 -3.701 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.292 -4.335 -4.261 1.00 0.00 H new ATOM 294 N CYS A 22 4.387 -1.822 -1.023 1.00 0.00 N ATOM 295 CA CYS A 22 3.661 -0.760 -0.344 1.00 0.00 C ATOM 296 C CYS A 22 4.340 0.571 -0.673 1.00 0.00 C ATOM 297 O CYS A 22 5.047 1.133 0.164 1.00 0.00 O ATOM 298 CB CYS A 22 3.582 -1.005 1.164 1.00 0.00 C ATOM 299 SG CYS A 22 2.582 0.219 2.088 1.00 0.00 S ATOM 0 H CYS A 22 4.860 -2.479 -0.403 1.00 0.00 H new ATOM 0 HA CYS A 22 2.630 -0.737 -0.696 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.165 -1.998 1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.593 -1.009 1.571 1.00 0.00 H new ATOM 304 N TYR A 23 4.102 1.036 -1.890 1.00 0.00 N ATOM 305 CA TYR A 23 4.681 2.290 -2.338 1.00 0.00 C ATOM 306 C TYR A 23 3.590 3.316 -2.653 1.00 0.00 C ATOM 307 O TYR A 23 2.450 2.949 -2.933 1.00 0.00 O ATOM 308 CB TYR A 23 5.446 1.966 -3.623 1.00 0.00 C ATOM 309 CG TYR A 23 5.525 3.132 -4.611 1.00 0.00 C ATOM 310 CD1 TYR A 23 4.521 3.318 -5.540 1.00 0.00 C ATOM 311 CD2 TYR A 23 6.598 3.997 -4.573 1.00 0.00 C ATOM 312 CE1 TYR A 23 4.595 4.416 -6.471 1.00 0.00 C ATOM 313 CE2 TYR A 23 6.672 5.095 -5.503 1.00 0.00 C ATOM 314 CZ TYR A 23 5.667 5.249 -6.405 1.00 0.00 C ATOM 315 OH TYR A 23 5.737 6.285 -7.284 1.00 0.00 O ATOM 0 H TYR A 23 3.516 0.566 -2.580 1.00 0.00 H new ATOM 0 HA TYR A 23 5.322 2.714 -1.565 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.458 1.655 -3.363 1.00 0.00 H new ATOM 0 HB3 TYR A 23 4.968 1.119 -4.114 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.680 2.641 -5.569 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.383 3.851 -3.846 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.817 4.573 -7.204 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.507 5.780 -5.484 1.00 0.00 H new ATOM 0 HH TYR A 23 6.556 6.798 -7.121 1.00 0.00 H new ATOM 325 N CYS A 24 3.979 4.581 -2.594 1.00 0.00 N ATOM 326 CA CYS A 24 3.048 5.663 -2.869 1.00 0.00 C ATOM 327 C CYS A 24 3.505 6.378 -4.143 1.00 0.00 C ATOM 328 O CYS A 24 4.680 6.715 -4.282 1.00 0.00 O ATOM 329 CB CYS A 24 2.934 6.626 -1.685 1.00 0.00 C ATOM 330 SG CYS A 24 3.873 6.127 -0.197 1.00 0.00 S ATOM 0 H CYS A 24 4.925 4.881 -2.360 1.00 0.00 H new ATOM 0 HA CYS A 24 2.048 5.256 -3.020 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.278 7.611 -2.001 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.882 6.727 -1.417 1.00 0.00 H new ATOM 335 N ARG A 25 2.553 6.587 -5.041 1.00 0.00 N ATOM 336 CA ARG A 25 2.842 7.255 -6.298 1.00 0.00 C ATOM 337 C ARG A 25 3.267 8.704 -6.043 1.00 0.00 C ATOM 338 O ARG A 25 4.251 9.174 -6.612 1.00 0.00 O ATOM 339 CB ARG A 25 1.624 7.243 -7.222 1.00 0.00 C ATOM 340 CG ARG A 25 1.917 7.985 -8.526 1.00 0.00 C ATOM 341 CD ARG A 25 1.794 9.499 -8.334 1.00 0.00 C ATOM 342 NE ARG A 25 0.763 9.798 -7.316 1.00 0.00 N ATOM 343 CZ ARG A 25 -0.463 10.257 -7.601 1.00 0.00 C ATOM 344 NH1 ARG A 25 -0.819 10.472 -8.874 1.00 0.00 N ATOM 345 NH2 ARG A 25 -1.334 10.500 -6.612 1.00 0.00 N ATOM 0 H ARG A 25 1.580 6.305 -4.922 1.00 0.00 H new ATOM 0 HA ARG A 25 3.655 6.713 -6.782 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.340 6.214 -7.441 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.776 7.707 -6.718 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.921 7.739 -8.871 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.224 7.655 -9.300 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.753 9.914 -8.025 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.532 9.974 -9.280 1.00 0.00 H new ATOM 0 HE ARG A 25 1.000 9.645 -6.336 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.157 10.286 -9.627 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.753 10.821 -9.090 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.064 10.336 -5.642 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.267 10.849 -6.829 1.00 0.00 H new ATOM 359 N PHE A 26 2.502 9.369 -5.190 1.00 0.00 N ATOM 360 CA PHE A 26 2.787 10.754 -4.855 1.00 0.00 C ATOM 361 C PHE A 26 3.757 10.844 -3.675 1.00 0.00 C ATOM 362 O PHE A 26 4.521 9.913 -3.422 1.00 0.00 O ATOM 363 CB PHE A 26 1.458 11.400 -4.456 1.00 0.00 C ATOM 364 CG PHE A 26 1.326 12.863 -4.880 1.00 0.00 C ATOM 365 CD1 PHE A 26 2.434 13.579 -5.212 1.00 0.00 C ATOM 366 CD2 PHE A 26 0.101 13.451 -4.925 1.00 0.00 C ATOM 367 CE1 PHE A 26 2.312 14.937 -5.605 1.00 0.00 C ATOM 368 CE2 PHE A 26 -0.023 14.810 -5.318 1.00 0.00 C ATOM 369 CZ PHE A 26 1.086 15.524 -5.650 1.00 0.00 C ATOM 0 H PHE A 26 1.686 8.975 -4.721 1.00 0.00 H new ATOM 0 HA PHE A 26 3.245 11.256 -5.707 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.641 10.829 -4.898 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.344 11.334 -3.374 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.408 13.113 -5.176 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.779 12.884 -4.661 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.192 15.504 -5.868 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.997 15.276 -5.353 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.993 16.557 -5.949 1.00 0.00 H new ATOM 379 N PHE A 27 3.697 11.973 -2.986 1.00 0.00 N ATOM 380 CA PHE A 27 4.561 12.198 -1.839 1.00 0.00 C ATOM 381 C PHE A 27 4.046 11.448 -0.610 1.00 0.00 C ATOM 382 O PHE A 27 4.682 10.505 -0.141 1.00 0.00 O ATOM 383 CB PHE A 27 4.541 13.700 -1.550 1.00 0.00 C ATOM 384 CG PHE A 27 5.338 14.106 -0.309 1.00 0.00 C ATOM 385 CD1 PHE A 27 6.678 13.879 -0.258 1.00 0.00 C ATOM 386 CD2 PHE A 27 4.707 14.695 0.741 1.00 0.00 C ATOM 387 CE1 PHE A 27 7.419 14.256 0.894 1.00 0.00 C ATOM 388 CE2 PHE A 27 5.447 15.072 1.894 1.00 0.00 C ATOM 389 CZ PHE A 27 6.787 14.844 1.946 1.00 0.00 C ATOM 0 H PHE A 27 3.063 12.743 -3.200 1.00 0.00 H new ATOM 0 HA PHE A 27 5.567 11.839 -2.056 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.939 14.231 -2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.507 14.022 -1.426 1.00 0.00 H new ATOM 0 HD1 PHE A 27 7.179 13.412 -1.093 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.643 14.876 0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.483 14.076 0.935 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.946 15.539 2.729 1.00 0.00 H new ATOM 0 HZ PHE A 27 7.350 15.130 2.823 1.00 0.00 H new ATOM 399 N ASN A 28 2.898 11.894 -0.122 1.00 0.00 N ATOM 400 CA ASN A 28 2.290 11.277 1.045 1.00 0.00 C ATOM 401 C ASN A 28 0.767 11.335 0.912 1.00 0.00 C ATOM 402 O ASN A 28 0.112 12.139 1.574 1.00 0.00 O ATOM 403 CB ASN A 28 2.680 12.017 2.326 1.00 0.00 C ATOM 404 CG ASN A 28 2.716 11.062 3.522 1.00 0.00 C ATOM 405 OD1 ASN A 28 2.262 9.930 3.459 1.00 0.00 O ATOM 406 ND2 ASN A 28 3.279 11.577 4.610 1.00 0.00 N ATOM 0 H ASN A 28 2.372 12.676 -0.514 1.00 0.00 H new ATOM 0 HA ASN A 28 2.641 10.247 1.102 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.657 12.482 2.198 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.968 12.819 2.518 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.351 11.018 5.460 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.639 12.531 4.595 1.00 0.00 H new ATOM 413 N ALA A 29 0.247 10.471 0.052 1.00 0.00 N ATOM 414 CA ALA A 29 -1.187 10.414 -0.176 1.00 0.00 C ATOM 415 C ALA A 29 -1.582 8.986 -0.558 1.00 0.00 C ATOM 416 O ALA A 29 -2.005 8.207 0.296 1.00 0.00 O ATOM 417 CB ALA A 29 -1.574 11.431 -1.251 1.00 0.00 C ATOM 0 H ALA A 29 0.793 9.805 -0.495 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.730 10.676 0.732 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.650 11.388 -1.422 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.299 12.432 -0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.050 11.198 -2.178 1.00 0.00 H new ATOM 423 N PHE A 30 -1.429 8.685 -1.839 1.00 0.00 N ATOM 424 CA PHE A 30 -1.764 7.364 -2.343 1.00 0.00 C ATOM 425 C PHE A 30 -0.599 6.392 -2.150 1.00 0.00 C ATOM 426 O PHE A 30 0.359 6.404 -2.922 1.00 0.00 O ATOM 427 CB PHE A 30 -2.045 7.515 -3.840 1.00 0.00 C ATOM 428 CG PHE A 30 -3.454 8.015 -4.161 1.00 0.00 C ATOM 429 CD1 PHE A 30 -4.102 8.830 -3.285 1.00 0.00 C ATOM 430 CD2 PHE A 30 -4.058 7.647 -5.322 1.00 0.00 C ATOM 431 CE1 PHE A 30 -5.411 9.295 -3.583 1.00 0.00 C ATOM 432 CE2 PHE A 30 -5.367 8.111 -5.621 1.00 0.00 C ATOM 433 CZ PHE A 30 -6.015 8.927 -4.745 1.00 0.00 C ATOM 0 H PHE A 30 -1.077 9.334 -2.543 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.625 6.968 -1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.319 8.207 -4.268 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.893 6.552 -4.327 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.621 9.123 -2.363 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -3.542 7.001 -6.018 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.926 9.940 -2.887 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.848 7.817 -6.542 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.009 9.282 -4.973 1.00 0.00 H new ATOM 443 N CYS A 31 -0.719 5.572 -1.114 1.00 0.00 N ATOM 444 CA CYS A 31 0.312 4.595 -0.811 1.00 0.00 C ATOM 445 C CYS A 31 -0.360 3.239 -0.591 1.00 0.00 C ATOM 446 O CYS A 31 -1.129 3.070 0.355 1.00 0.00 O ATOM 447 CB CYS A 31 1.153 5.018 0.395 1.00 0.00 C ATOM 448 SG CYS A 31 2.882 4.418 0.373 1.00 0.00 S ATOM 0 H CYS A 31 -1.514 5.565 -0.475 1.00 0.00 H new ATOM 0 HA CYS A 31 1.006 4.523 -1.648 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.162 6.107 0.450 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.669 4.656 1.302 1.00 0.00 H new ATOM 453 N TYR A 32 -0.048 2.307 -1.479 1.00 0.00 N ATOM 454 CA TYR A 32 -0.613 0.972 -1.393 1.00 0.00 C ATOM 455 C TYR A 32 0.403 -0.083 -1.837 1.00 0.00 C ATOM 456 O TYR A 32 1.512 0.253 -2.248 1.00 0.00 O ATOM 457 CB TYR A 32 -1.801 0.954 -2.356 1.00 0.00 C ATOM 458 CG TYR A 32 -1.667 1.928 -3.528 1.00 0.00 C ATOM 459 CD1 TYR A 32 -0.530 1.916 -4.309 1.00 0.00 C ATOM 460 CD2 TYR A 32 -2.683 2.820 -3.804 1.00 0.00 C ATOM 461 CE1 TYR A 32 -0.403 2.831 -5.413 1.00 0.00 C ATOM 462 CE2 TYR A 32 -2.557 3.737 -4.907 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.424 3.696 -5.657 1.00 0.00 C ATOM 464 OH TYR A 32 -1.303 4.563 -6.699 1.00 0.00 O ATOM 0 H TYR A 32 0.589 2.450 -2.262 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.902 0.743 -0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.922 -0.056 -2.748 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.709 1.192 -1.801 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.266 1.219 -4.092 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.573 2.830 -3.192 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.482 2.831 -6.033 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.344 4.441 -5.133 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.107 5.120 -6.756 1.00 0.00 H new ATOM 474 N CYS A 33 -0.012 -1.337 -1.737 1.00 0.00 N ATOM 475 CA CYS A 33 0.848 -2.443 -2.122 1.00 0.00 C ATOM 476 C CYS A 33 0.746 -2.626 -3.638 1.00 0.00 C ATOM 477 O CYS A 33 -0.347 -2.815 -4.172 1.00 0.00 O ATOM 478 CB CYS A 33 0.493 -3.725 -1.368 1.00 0.00 C ATOM 479 SG CYS A 33 1.689 -4.209 -0.071 1.00 0.00 S ATOM 0 H CYS A 33 -0.933 -1.612 -1.395 1.00 0.00 H new ATOM 0 HA CYS A 33 1.879 -2.215 -1.853 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.488 -3.600 -0.909 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.408 -4.540 -2.086 1.00 0.00 H new ATOM 484 N ARG A 34 1.897 -2.562 -4.289 1.00 0.00 N ATOM 485 CA ARG A 34 1.950 -2.717 -5.732 1.00 0.00 C ATOM 486 C ARG A 34 2.655 -4.025 -6.100 1.00 0.00 C ATOM 487 O ARG A 34 2.982 -4.825 -5.224 1.00 0.00 O ATOM 488 CB ARG A 34 2.690 -1.548 -6.385 1.00 0.00 C ATOM 489 CG ARG A 34 3.036 -1.863 -7.843 1.00 0.00 C ATOM 490 CD ARG A 34 1.770 -2.130 -8.661 1.00 0.00 C ATOM 491 NE ARG A 34 1.970 -3.309 -9.532 1.00 0.00 N ATOM 492 CZ ARG A 34 1.577 -4.551 -9.217 1.00 0.00 C ATOM 493 NH1 ARG A 34 0.961 -4.784 -8.050 1.00 0.00 N ATOM 494 NH2 ARG A 34 1.801 -5.561 -10.069 1.00 0.00 N ATOM 0 H ARG A 34 2.801 -2.405 -3.843 1.00 0.00 H new ATOM 0 HA ARG A 34 0.924 -2.735 -6.101 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.072 -0.651 -6.340 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.603 -1.335 -5.829 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.586 -1.029 -8.279 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.691 -2.733 -7.885 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.925 -2.300 -7.994 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.528 -1.257 -9.267 1.00 0.00 H new ATOM 0 HE ARG A 34 2.436 -3.168 -10.428 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.791 -4.016 -7.401 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.662 -5.729 -7.811 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.271 -5.384 -10.957 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.502 -6.506 -9.829 1.00 0.00 H new TER 508 ARG A 34