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+ -130:sc= 0.188 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot -150:sc= -0.279 USER MOD Single : A 11 GLN : amide:sc= -6.96! C(o=-7!,f=-8.6!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.881 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc=-0.00543 X(o=-0.0054,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -4.010 -7.604 8.405 1.00 0.00 N ATOM 2 CA CYS A 1 -3.141 -7.441 7.252 1.00 0.00 C ATOM 3 C CYS A 1 -3.822 -6.488 6.267 1.00 0.00 C ATOM 4 O CYS A 1 -4.913 -5.987 6.537 1.00 0.00 O ATOM 5 CB CYS A 1 -2.803 -8.784 6.603 1.00 0.00 C ATOM 6 SG CYS A 1 -4.184 -9.569 5.694 1.00 0.00 S ATOM 0 H1 CYS A 1 -3.464 -7.449 9.276 1.00 0.00 H new ATOM 0 H2 CYS A 1 -4.786 -6.913 8.355 1.00 0.00 H new ATOM 0 H3 CYS A 1 -4.403 -8.567 8.410 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.189 -7.015 7.570 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.970 -8.639 5.915 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -2.461 -9.470 7.378 1.00 0.00 H new ATOM 11 N VAL A 2 -3.153 -6.269 5.145 1.00 0.00 N ATOM 12 CA VAL A 2 -3.680 -5.385 4.119 1.00 0.00 C ATOM 13 C VAL A 2 -3.506 -6.042 2.748 1.00 0.00 C ATOM 14 O VAL A 2 -2.576 -6.820 2.543 1.00 0.00 O ATOM 15 CB VAL A 2 -3.010 -4.014 4.215 1.00 0.00 C ATOM 16 CG1 VAL A 2 -2.798 -3.409 2.825 1.00 0.00 C ATOM 17 CG2 VAL A 2 -3.818 -3.069 5.106 1.00 0.00 C ATOM 0 H VAL A 2 -2.250 -6.689 4.923 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.747 -5.220 4.267 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.031 -4.152 4.674 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.320 -2.434 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.162 -4.068 2.234 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.761 -3.293 2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.319 -2.101 5.157 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.817 -2.941 4.689 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.895 -3.491 6.108 1.00 0.00 H new ATOM 27 N ARG A 3 -4.415 -5.703 1.845 1.00 0.00 N ATOM 28 CA ARG A 3 -4.373 -6.251 0.500 1.00 0.00 C ATOM 29 C ARG A 3 -3.440 -5.419 -0.382 1.00 0.00 C ATOM 30 O ARG A 3 -3.025 -4.327 0.003 1.00 0.00 O ATOM 31 CB ARG A 3 -5.768 -6.278 -0.127 1.00 0.00 C ATOM 32 CG ARG A 3 -6.406 -7.662 0.013 1.00 0.00 C ATOM 33 CD ARG A 3 -7.305 -7.728 1.249 1.00 0.00 C ATOM 34 NE ARG A 3 -6.487 -7.624 2.477 1.00 0.00 N ATOM 35 CZ ARG A 3 -6.971 -7.768 3.718 1.00 0.00 C ATOM 36 NH1 ARG A 3 -8.273 -8.027 3.902 1.00 0.00 N ATOM 37 NH2 ARG A 3 -6.154 -7.657 4.774 1.00 0.00 N ATOM 0 H ARG A 3 -5.184 -5.056 2.019 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.999 -7.272 0.569 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.401 -5.532 0.353 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.702 -6.009 -1.181 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.990 -7.889 -0.879 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.626 -8.420 0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.036 -6.920 1.220 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.864 -8.664 1.253 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.491 -7.430 2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.894 -8.114 3.098 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.643 -8.137 4.846 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.163 -7.463 4.634 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.523 -7.767 5.718 1.00 0.00 H new ATOM 51 N LEU A 4 -3.138 -5.966 -1.550 1.00 0.00 N ATOM 52 CA LEU A 4 -2.262 -5.289 -2.490 1.00 0.00 C ATOM 53 C LEU A 4 -2.920 -3.984 -2.944 1.00 0.00 C ATOM 54 O LEU A 4 -2.285 -2.931 -2.939 1.00 0.00 O ATOM 55 CB LEU A 4 -1.889 -6.222 -3.643 1.00 0.00 C ATOM 56 CG LEU A 4 -0.539 -5.955 -4.313 1.00 0.00 C ATOM 57 CD1 LEU A 4 0.281 -7.242 -4.427 1.00 0.00 C ATOM 58 CD2 LEU A 4 -0.726 -5.272 -5.669 1.00 0.00 C ATOM 0 H LEU A 4 -3.485 -6.871 -1.867 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.321 -5.023 -2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.891 -7.246 -3.270 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.668 -6.158 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 4 0.026 -5.269 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.235 -7.024 -4.907 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.460 -7.649 -3.432 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.267 -7.971 -5.024 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.248 -5.093 -6.124 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.319 -5.914 -6.321 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.241 -4.321 -5.530 1.00 0.00 H new ATOM 70 N HIS A 5 -4.184 -4.097 -3.324 1.00 0.00 N ATOM 71 CA HIS A 5 -4.935 -2.939 -3.779 1.00 0.00 C ATOM 72 C HIS A 5 -5.582 -2.244 -2.579 1.00 0.00 C ATOM 73 O HIS A 5 -6.743 -1.842 -2.643 1.00 0.00 O ATOM 74 CB HIS A 5 -5.950 -3.338 -4.853 1.00 0.00 C ATOM 75 CG HIS A 5 -5.354 -4.115 -6.001 1.00 0.00 C ATOM 76 ND1 HIS A 5 -4.449 -3.563 -6.890 1.00 0.00 N ATOM 77 CD2 HIS A 5 -5.544 -5.407 -6.397 1.00 0.00 C ATOM 78 CE1 HIS A 5 -4.116 -4.490 -7.777 1.00 0.00 C ATOM 79 NE2 HIS A 5 -4.796 -5.631 -7.470 1.00 0.00 N ATOM 0 H HIS A 5 -4.707 -4.973 -3.326 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.260 -2.223 -4.248 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -6.736 -3.936 -4.392 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -6.423 -2.437 -5.244 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -6.193 -6.125 -5.918 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.427 -4.364 -8.599 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -4.739 -6.512 -7.981 1.00 0.00 H new ATOM 88 N GLU A 6 -4.803 -2.122 -1.515 1.00 0.00 N ATOM 89 CA GLU A 6 -5.286 -1.482 -0.304 1.00 0.00 C ATOM 90 C GLU A 6 -4.203 -0.576 0.287 1.00 0.00 C ATOM 91 O GLU A 6 -3.226 -1.059 0.853 1.00 0.00 O ATOM 92 CB GLU A 6 -5.747 -2.522 0.720 1.00 0.00 C ATOM 93 CG GLU A 6 -7.132 -3.067 0.362 1.00 0.00 C ATOM 94 CD GLU A 6 -7.803 -3.702 1.581 1.00 0.00 C ATOM 95 OE1 GLU A 6 -7.053 -4.102 2.497 1.00 0.00 O ATOM 96 OE2 GLU A 6 -9.052 -3.772 1.568 1.00 0.00 O ATOM 0 H GLU A 6 -3.840 -2.456 -1.466 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.147 -0.866 -0.562 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.029 -3.341 0.760 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.774 -2.073 1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.756 -2.260 -0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.041 -3.806 -0.434 1.00 0.00 H new ATOM 103 N SER A 7 -4.416 0.723 0.132 1.00 0.00 N ATOM 104 CA SER A 7 -3.470 1.701 0.641 1.00 0.00 C ATOM 105 C SER A 7 -2.886 1.221 1.972 1.00 0.00 C ATOM 106 O SER A 7 -3.571 0.558 2.750 1.00 0.00 O ATOM 107 CB SER A 7 -4.131 3.069 0.815 1.00 0.00 C ATOM 108 OG SER A 7 -3.682 3.735 1.992 1.00 0.00 O ATOM 0 H SER A 7 -5.229 1.120 -0.338 1.00 0.00 H new ATOM 0 HA SER A 7 -2.664 1.807 -0.086 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.916 3.688 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.213 2.945 0.859 1.00 0.00 H new ATOM 0 HG SER A 7 -4.396 4.314 2.333 1.00 0.00 H new ATOM 114 N CYS A 8 -1.629 1.575 2.192 1.00 0.00 N ATOM 115 CA CYS A 8 -0.946 1.188 3.416 1.00 0.00 C ATOM 116 C CYS A 8 -0.585 2.460 4.186 1.00 0.00 C ATOM 117 O CYS A 8 -0.072 2.390 5.302 1.00 0.00 O ATOM 118 CB CYS A 8 0.285 0.327 3.129 1.00 0.00 C ATOM 119 SG CYS A 8 0.870 0.376 1.395 1.00 0.00 S ATOM 0 H CYS A 8 -1.065 2.125 1.544 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.606 0.570 4.024 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.097 0.650 3.781 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.057 -0.706 3.392 1.00 0.00 H new ATOM 124 N LEU A 9 -0.866 3.593 3.559 1.00 0.00 N ATOM 125 CA LEU A 9 -0.578 4.879 4.173 1.00 0.00 C ATOM 126 C LEU A 9 -1.113 4.888 5.605 1.00 0.00 C ATOM 127 O LEU A 9 -2.324 4.837 5.820 1.00 0.00 O ATOM 128 CB LEU A 9 -1.117 6.019 3.308 1.00 0.00 C ATOM 129 CG LEU A 9 -2.588 6.382 3.517 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.741 7.433 4.619 1.00 0.00 C ATOM 131 CD2 LEU A 9 -3.237 6.827 2.205 1.00 0.00 C ATOM 0 H LEU A 9 -1.290 3.648 2.633 1.00 0.00 H new ATOM 0 HA LEU A 9 0.499 5.038 4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.514 6.907 3.496 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.974 5.753 2.261 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.116 5.488 3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.796 7.674 4.748 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.341 7.041 5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.195 8.334 4.341 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.282 7.079 2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.714 7.702 1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.178 6.018 1.477 1.00 0.00 H new ATOM 143 N GLY A 10 -0.186 4.953 6.551 1.00 0.00 N ATOM 144 CA GLY A 10 -0.550 4.969 7.957 1.00 0.00 C ATOM 145 C GLY A 10 -0.900 3.562 8.449 1.00 0.00 C ATOM 146 O GLY A 10 -1.601 3.408 9.446 1.00 0.00 O ATOM 0 H GLY A 10 0.817 4.995 6.370 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.276 5.369 8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.401 5.633 8.109 1.00 0.00 H new ATOM 150 N GLN A 11 -0.395 2.575 7.726 1.00 0.00 N ATOM 151 CA GLN A 11 -0.644 1.187 8.076 1.00 0.00 C ATOM 152 C GLN A 11 0.251 0.764 9.243 1.00 0.00 C ATOM 153 O GLN A 11 1.346 1.299 9.416 1.00 0.00 O ATOM 154 CB GLN A 11 -0.438 0.271 6.869 1.00 0.00 C ATOM 155 CG GLN A 11 -0.340 -1.194 7.301 1.00 0.00 C ATOM 156 CD GLN A 11 -1.730 -1.783 7.556 1.00 0.00 C ATOM 157 OE1 GLN A 11 -2.650 -1.109 7.988 1.00 0.00 O ATOM 158 NE2 GLN A 11 -1.829 -3.077 7.263 1.00 0.00 N ATOM 0 H GLN A 11 0.186 2.708 6.898 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.684 1.094 8.388 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.266 0.393 6.170 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.471 0.559 6.340 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.168 -1.772 6.529 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.263 -1.271 8.205 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.019 -3.582 6.904 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.715 -3.564 7.397 1.00 0.00 H new ATOM 167 N GLN A 12 -0.248 -0.191 10.014 1.00 0.00 N ATOM 168 CA GLN A 12 0.494 -0.690 11.160 1.00 0.00 C ATOM 169 C GLN A 12 0.603 -2.215 11.097 1.00 0.00 C ATOM 170 O GLN A 12 1.325 -2.822 11.886 1.00 0.00 O ATOM 171 CB GLN A 12 -0.156 -0.241 12.471 1.00 0.00 C ATOM 172 CG GLN A 12 0.739 -0.571 13.667 1.00 0.00 C ATOM 173 CD GLN A 12 0.700 0.549 14.708 1.00 0.00 C ATOM 174 OE1 GLN A 12 -0.308 0.801 15.348 1.00 0.00 O ATOM 175 NE2 GLN A 12 1.848 1.206 14.840 1.00 0.00 N ATOM 0 H GLN A 12 -1.156 -0.632 9.868 1.00 0.00 H new ATOM 0 HA GLN A 12 1.500 -0.271 11.129 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.345 0.832 12.439 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.122 -0.731 12.589 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.413 -1.506 14.122 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.764 -0.721 13.328 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.654 0.943 14.273 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.923 1.973 15.509 1.00 0.00 H new ATOM 184 N VAL A 13 -0.124 -2.790 10.150 1.00 0.00 N ATOM 185 CA VAL A 13 -0.118 -4.232 9.975 1.00 0.00 C ATOM 186 C VAL A 13 0.612 -4.580 8.675 1.00 0.00 C ATOM 187 O VAL A 13 0.758 -3.733 7.795 1.00 0.00 O ATOM 188 CB VAL A 13 -1.549 -4.772 10.019 1.00 0.00 C ATOM 189 CG1 VAL A 13 -1.684 -5.887 11.057 1.00 0.00 C ATOM 190 CG2 VAL A 13 -2.550 -3.647 10.289 1.00 0.00 C ATOM 0 H VAL A 13 -0.721 -2.283 9.496 1.00 0.00 H new ATOM 0 HA VAL A 13 0.421 -4.713 10.791 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.777 -5.197 9.041 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.711 -6.252 11.067 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.010 -6.705 10.802 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.427 -5.499 12.043 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.560 -4.057 10.315 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.323 -3.180 11.247 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.482 -2.901 9.497 1.00 0.00 H new ATOM 200 N PRO A 14 1.062 -5.860 8.593 1.00 0.00 N ATOM 201 CA PRO A 14 1.773 -6.330 7.416 1.00 0.00 C ATOM 202 C PRO A 14 0.811 -6.558 6.250 1.00 0.00 C ATOM 203 O PRO A 14 -0.395 -6.688 6.450 1.00 0.00 O ATOM 204 CB PRO A 14 2.477 -7.602 7.864 1.00 0.00 C ATOM 205 CG PRO A 14 1.765 -8.049 9.130 1.00 0.00 C ATOM 206 CD PRO A 14 0.907 -6.891 9.616 1.00 0.00 C ATOM 0 HA PRO A 14 2.493 -5.603 7.041 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.422 -8.371 7.093 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.534 -7.417 8.055 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.147 -8.925 8.932 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.488 -8.335 9.894 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.136 -7.189 9.723 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.239 -6.534 10.591 1.00 0.00 H new ATOM 214 N CYS A 15 1.381 -6.598 5.054 1.00 0.00 N ATOM 215 CA CYS A 15 0.589 -6.808 3.854 1.00 0.00 C ATOM 216 C CYS A 15 0.432 -8.314 3.639 1.00 0.00 C ATOM 217 O CYS A 15 1.421 -9.047 3.606 1.00 0.00 O ATOM 218 CB CYS A 15 1.212 -6.120 2.637 1.00 0.00 C ATOM 219 SG CYS A 15 0.187 -4.796 1.897 1.00 0.00 S ATOM 0 H CYS A 15 2.382 -6.489 4.891 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.395 -6.356 3.981 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.173 -5.696 2.929 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.414 -6.873 1.875 1.00 0.00 H new ATOM 224 N CYS A 16 -0.817 -8.733 3.497 1.00 0.00 N ATOM 225 CA CYS A 16 -1.116 -10.139 3.286 1.00 0.00 C ATOM 226 C CYS A 16 -0.339 -10.616 2.058 1.00 0.00 C ATOM 227 O CYS A 16 -0.027 -11.800 1.937 1.00 0.00 O ATOM 228 CB CYS A 16 -2.620 -10.382 3.139 1.00 0.00 C ATOM 229 SG CYS A 16 -3.430 -11.091 4.618 1.00 0.00 S ATOM 0 H CYS A 16 -1.634 -8.123 3.524 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.805 -10.714 4.158 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.104 -9.437 2.895 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.785 -11.052 2.295 1.00 0.00 H new ATOM 234 N ASP A 17 -0.047 -9.671 1.177 1.00 0.00 N ATOM 235 CA ASP A 17 0.688 -9.980 -0.038 1.00 0.00 C ATOM 236 C ASP A 17 2.116 -10.387 0.326 1.00 0.00 C ATOM 237 O ASP A 17 2.693 -9.865 1.279 1.00 0.00 O ATOM 238 CB ASP A 17 0.765 -8.761 -0.960 1.00 0.00 C ATOM 239 CG ASP A 17 -0.549 -8.386 -1.647 1.00 0.00 C ATOM 240 OD1 ASP A 17 -0.915 -9.105 -2.602 1.00 0.00 O ATOM 241 OD2 ASP A 17 -1.157 -7.389 -1.202 1.00 0.00 O ATOM 0 H ASP A 17 -0.306 -8.690 1.280 1.00 0.00 H new ATOM 0 HA ASP A 17 0.167 -10.788 -0.551 1.00 0.00 H new ATOM 0 HB2 ASP A 17 1.111 -7.906 -0.379 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.517 -8.951 -1.726 1.00 0.00 H new ATOM 246 N PRO A 18 2.662 -11.344 -0.472 1.00 0.00 N ATOM 247 CA PRO A 18 4.012 -11.829 -0.243 1.00 0.00 C ATOM 248 C PRO A 18 5.049 -10.804 -0.706 1.00 0.00 C ATOM 249 O PRO A 18 5.548 -10.017 0.097 1.00 0.00 O ATOM 250 CB PRO A 18 4.094 -13.141 -1.007 1.00 0.00 C ATOM 251 CG PRO A 18 2.950 -13.112 -2.008 1.00 0.00 C ATOM 252 CD PRO A 18 2.010 -11.986 -1.609 1.00 0.00 C ATOM 0 HA PRO A 18 4.229 -11.984 0.814 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.054 -13.239 -1.514 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.002 -13.992 -0.333 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.330 -12.953 -3.017 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.423 -14.066 -2.013 1.00 0.00 H new ATOM 0 HD2 PRO A 18 1.863 -11.284 -2.429 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.026 -12.369 -1.337 1.00 0.00 H new ATOM 260 N ALA A 19 5.343 -10.846 -1.997 1.00 0.00 N ATOM 261 CA ALA A 19 6.311 -9.931 -2.576 1.00 0.00 C ATOM 262 C ALA A 19 5.622 -8.603 -2.897 1.00 0.00 C ATOM 263 O ALA A 19 5.705 -8.114 -4.022 1.00 0.00 O ATOM 264 CB ALA A 19 6.946 -10.572 -3.810 1.00 0.00 C ATOM 0 H ALA A 19 4.927 -11.501 -2.659 1.00 0.00 H new ATOM 0 HA ALA A 19 7.114 -9.723 -1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 19 7.672 -9.885 -4.244 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.448 -11.496 -3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.172 -10.793 -4.545 1.00 0.00 H new ATOM 270 N ALA A 20 4.956 -8.059 -1.889 1.00 0.00 N ATOM 271 CA ALA A 20 4.253 -6.798 -2.050 1.00 0.00 C ATOM 272 C ALA A 20 5.225 -5.642 -1.802 1.00 0.00 C ATOM 273 O ALA A 20 6.252 -5.819 -1.151 1.00 0.00 O ATOM 274 CB ALA A 20 3.050 -6.760 -1.107 1.00 0.00 C ATOM 0 H ALA A 20 4.888 -8.469 -0.957 1.00 0.00 H new ATOM 0 HA ALA A 20 3.873 -6.698 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.523 -5.814 -1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.376 -7.584 -1.343 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.392 -6.855 -0.077 1.00 0.00 H new ATOM 280 N THR A 21 4.865 -4.484 -2.335 1.00 0.00 N ATOM 281 CA THR A 21 5.691 -3.299 -2.179 1.00 0.00 C ATOM 282 C THR A 21 4.816 -2.062 -1.964 1.00 0.00 C ATOM 283 O THR A 21 4.231 -1.540 -2.910 1.00 0.00 O ATOM 284 CB THR A 21 6.600 -3.193 -3.405 1.00 0.00 C ATOM 285 OG1 THR A 21 6.032 -4.107 -4.339 1.00 0.00 O ATOM 286 CG2 THR A 21 8.002 -3.750 -3.144 1.00 0.00 C ATOM 0 H THR A 21 4.012 -4.341 -2.876 1.00 0.00 H new ATOM 0 HA THR A 21 6.321 -3.370 -1.293 1.00 0.00 H new ATOM 0 HB THR A 21 6.675 -2.150 -3.712 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.559 -4.101 -5.165 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.607 -3.651 -4.046 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.469 -3.194 -2.331 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.930 -4.802 -2.869 1.00 0.00 H new ATOM 294 N CYS A 22 4.755 -1.631 -0.713 1.00 0.00 N ATOM 295 CA CYS A 22 3.963 -0.466 -0.361 1.00 0.00 C ATOM 296 C CYS A 22 4.539 0.747 -1.093 1.00 0.00 C ATOM 297 O CYS A 22 5.366 1.473 -0.544 1.00 0.00 O ATOM 298 CB CYS A 22 3.917 -0.249 1.153 1.00 0.00 C ATOM 299 SG CYS A 22 2.809 1.100 1.703 1.00 0.00 S ATOM 0 H CYS A 22 5.242 -2.068 0.070 1.00 0.00 H new ATOM 0 HA CYS A 22 2.930 -0.620 -0.672 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.600 -1.177 1.629 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.926 -0.038 1.506 1.00 0.00 H new ATOM 304 N TYR A 23 4.080 0.929 -2.322 1.00 0.00 N ATOM 305 CA TYR A 23 4.540 2.042 -3.136 1.00 0.00 C ATOM 306 C TYR A 23 3.581 3.230 -3.032 1.00 0.00 C ATOM 307 O TYR A 23 2.368 3.047 -2.933 1.00 0.00 O ATOM 308 CB TYR A 23 4.548 1.534 -4.580 1.00 0.00 C ATOM 309 CG TYR A 23 5.441 2.347 -5.519 1.00 0.00 C ATOM 310 CD1 TYR A 23 6.801 2.112 -5.552 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.887 3.313 -6.333 1.00 0.00 C ATOM 312 CE1 TYR A 23 7.641 2.877 -6.438 1.00 0.00 C ATOM 313 CE2 TYR A 23 5.727 4.077 -7.218 1.00 0.00 C ATOM 314 CZ TYR A 23 7.062 3.821 -7.227 1.00 0.00 C ATOM 315 OH TYR A 23 7.856 4.544 -8.063 1.00 0.00 O ATOM 0 H TYR A 23 3.394 0.325 -2.774 1.00 0.00 H new ATOM 0 HA TYR A 23 5.523 2.379 -2.806 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.880 0.496 -4.588 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.528 1.545 -4.964 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.235 1.356 -4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.823 3.496 -6.306 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.707 2.705 -6.475 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.306 4.836 -7.860 1.00 0.00 H new ATOM 0 HH TYR A 23 7.307 5.180 -8.567 1.00 0.00 H new ATOM 325 N CYS A 24 4.160 4.421 -3.059 1.00 0.00 N ATOM 326 CA CYS A 24 3.373 5.639 -2.970 1.00 0.00 C ATOM 327 C CYS A 24 3.717 6.523 -4.170 1.00 0.00 C ATOM 328 O CYS A 24 4.882 6.846 -4.394 1.00 0.00 O ATOM 329 CB CYS A 24 3.602 6.365 -1.641 1.00 0.00 C ATOM 330 SG CYS A 24 4.201 5.300 -0.279 1.00 0.00 S ATOM 0 H CYS A 24 5.166 4.569 -3.141 1.00 0.00 H new ATOM 0 HA CYS A 24 2.312 5.392 -2.995 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.323 7.167 -1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.667 6.833 -1.333 1.00 0.00 H new ATOM 335 N ARG A 25 2.681 6.889 -4.910 1.00 0.00 N ATOM 336 CA ARG A 25 2.859 7.730 -6.081 1.00 0.00 C ATOM 337 C ARG A 25 3.375 9.111 -5.672 1.00 0.00 C ATOM 338 O ARG A 25 4.448 9.530 -6.104 1.00 0.00 O ATOM 339 CB ARG A 25 1.544 7.892 -6.848 1.00 0.00 C ATOM 340 CG ARG A 25 1.639 9.032 -7.865 1.00 0.00 C ATOM 341 CD ARG A 25 2.924 8.928 -8.688 1.00 0.00 C ATOM 342 NE ARG A 25 3.190 7.512 -9.034 1.00 0.00 N ATOM 343 CZ ARG A 25 3.863 7.120 -10.122 1.00 0.00 C ATOM 344 NH1 ARG A 25 4.346 8.031 -10.977 1.00 0.00 N ATOM 345 NH2 ARG A 25 4.057 5.815 -10.357 1.00 0.00 N ATOM 0 H ARG A 25 1.716 6.619 -4.721 1.00 0.00 H new ATOM 0 HA ARG A 25 3.588 7.244 -6.729 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.301 6.961 -7.361 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.733 8.091 -6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.775 9.005 -8.529 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.612 9.990 -7.346 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.833 9.522 -9.597 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.762 9.337 -8.123 1.00 0.00 H new ATOM 0 HE ARG A 25 2.838 6.791 -8.404 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.201 9.025 -10.799 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.859 7.731 -11.806 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.691 5.120 -9.706 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.570 5.517 -11.187 1.00 0.00 H new ATOM 359 N PHE A 26 2.588 9.779 -4.841 1.00 0.00 N ATOM 360 CA PHE A 26 2.952 11.103 -4.368 1.00 0.00 C ATOM 361 C PHE A 26 3.643 11.028 -3.005 1.00 0.00 C ATOM 362 O PHE A 26 4.209 9.995 -2.649 1.00 0.00 O ATOM 363 CB PHE A 26 1.653 11.900 -4.223 1.00 0.00 C ATOM 364 CG PHE A 26 1.775 13.368 -4.638 1.00 0.00 C ATOM 365 CD1 PHE A 26 2.208 13.688 -5.887 1.00 0.00 C ATOM 366 CD2 PHE A 26 1.447 14.351 -3.757 1.00 0.00 C ATOM 367 CE1 PHE A 26 2.320 15.050 -6.271 1.00 0.00 C ATOM 368 CE2 PHE A 26 1.559 15.715 -4.142 1.00 0.00 C ATOM 369 CZ PHE A 26 1.993 16.035 -5.391 1.00 0.00 C ATOM 0 H PHE A 26 1.700 9.428 -4.483 1.00 0.00 H new ATOM 0 HA PHE A 26 3.641 11.571 -5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.878 11.426 -4.826 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.323 11.852 -3.185 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.466 12.906 -6.586 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.102 14.096 -2.766 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.665 15.305 -7.262 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.300 16.497 -3.443 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.078 17.071 -5.684 1.00 0.00 H new ATOM 379 N PHE A 27 3.578 12.135 -2.281 1.00 0.00 N ATOM 380 CA PHE A 27 4.191 12.207 -0.966 1.00 0.00 C ATOM 381 C PHE A 27 3.334 11.488 0.079 1.00 0.00 C ATOM 382 O PHE A 27 3.767 10.499 0.667 1.00 0.00 O ATOM 383 CB PHE A 27 4.286 13.689 -0.597 1.00 0.00 C ATOM 384 CG PHE A 27 5.387 14.008 0.416 1.00 0.00 C ATOM 385 CD1 PHE A 27 6.667 14.191 -0.006 1.00 0.00 C ATOM 386 CD2 PHE A 27 5.086 14.111 1.738 1.00 0.00 C ATOM 387 CE1 PHE A 27 7.690 14.487 0.934 1.00 0.00 C ATOM 388 CE2 PHE A 27 6.108 14.408 2.678 1.00 0.00 C ATOM 389 CZ PHE A 27 7.389 14.590 2.255 1.00 0.00 C ATOM 0 H PHE A 27 3.110 12.990 -2.580 1.00 0.00 H new ATOM 0 HA PHE A 27 5.170 11.729 -0.986 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.462 14.268 -1.504 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.328 14.014 -0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.906 14.111 -1.056 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.069 13.967 2.073 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.707 14.630 0.599 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.869 14.489 3.728 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.166 14.816 2.970 1.00 0.00 H new ATOM 399 N ASN A 28 2.134 12.013 0.275 1.00 0.00 N ATOM 400 CA ASN A 28 1.213 11.433 1.238 1.00 0.00 C ATOM 401 C ASN A 28 -0.222 11.599 0.731 1.00 0.00 C ATOM 402 O ASN A 28 -0.954 12.466 1.205 1.00 0.00 O ATOM 403 CB ASN A 28 1.318 12.135 2.594 1.00 0.00 C ATOM 404 CG ASN A 28 1.008 11.168 3.739 1.00 0.00 C ATOM 405 OD1 ASN A 28 -0.128 10.805 3.987 1.00 0.00 O ATOM 406 ND2 ASN A 28 2.082 10.774 4.418 1.00 0.00 N ATOM 0 H ASN A 28 1.778 12.833 -0.216 1.00 0.00 H new ATOM 0 HA ASN A 28 1.469 10.380 1.356 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.321 12.543 2.719 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.626 12.976 2.626 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.982 10.128 5.201 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.006 11.118 4.156 1.00 0.00 H new ATOM 413 N ALA A 29 -0.578 10.757 -0.228 1.00 0.00 N ATOM 414 CA ALA A 29 -1.909 10.799 -0.805 1.00 0.00 C ATOM 415 C ALA A 29 -2.249 9.428 -1.396 1.00 0.00 C ATOM 416 O ALA A 29 -3.377 8.955 -1.267 1.00 0.00 O ATOM 417 CB ALA A 29 -1.979 11.918 -1.847 1.00 0.00 C ATOM 0 H ALA A 29 0.034 10.041 -0.620 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.652 11.020 -0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.979 11.950 -2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.760 12.873 -1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.248 11.729 -2.633 1.00 0.00 H new ATOM 423 N PHE A 30 -1.252 8.831 -2.033 1.00 0.00 N ATOM 424 CA PHE A 30 -1.431 7.526 -2.644 1.00 0.00 C ATOM 425 C PHE A 30 -0.288 6.582 -2.264 1.00 0.00 C ATOM 426 O PHE A 30 0.838 6.746 -2.729 1.00 0.00 O ATOM 427 CB PHE A 30 -1.419 7.737 -4.160 1.00 0.00 C ATOM 428 CG PHE A 30 -2.793 7.594 -4.818 1.00 0.00 C ATOM 429 CD1 PHE A 30 -3.663 6.647 -4.378 1.00 0.00 C ATOM 430 CD2 PHE A 30 -3.143 8.415 -5.845 1.00 0.00 C ATOM 431 CE1 PHE A 30 -4.938 6.516 -4.989 1.00 0.00 C ATOM 432 CE2 PHE A 30 -4.418 8.283 -6.456 1.00 0.00 C ATOM 433 CZ PHE A 30 -5.289 7.336 -6.015 1.00 0.00 C ATOM 0 H PHE A 30 -0.318 9.227 -2.139 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.365 7.080 -2.302 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.026 8.731 -4.375 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.735 7.019 -4.611 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.385 5.994 -3.564 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.451 9.167 -6.195 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.630 5.764 -4.638 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.696 8.935 -7.271 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.259 7.236 -6.480 1.00 0.00 H new ATOM 443 N CYS A 31 -0.621 5.614 -1.423 1.00 0.00 N ATOM 444 CA CYS A 31 0.364 4.643 -0.974 1.00 0.00 C ATOM 445 C CYS A 31 -0.350 3.311 -0.734 1.00 0.00 C ATOM 446 O CYS A 31 -1.194 3.207 0.155 1.00 0.00 O ATOM 447 CB CYS A 31 1.108 5.125 0.273 1.00 0.00 C ATOM 448 SG CYS A 31 2.732 4.332 0.553 1.00 0.00 S ATOM 0 H CYS A 31 -1.557 5.481 -1.041 1.00 0.00 H new ATOM 0 HA CYS A 31 1.126 4.513 -1.742 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.254 6.203 0.198 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.478 4.949 1.145 1.00 0.00 H new ATOM 453 N TYR A 32 0.014 2.326 -1.542 1.00 0.00 N ATOM 454 CA TYR A 32 -0.581 1.005 -1.429 1.00 0.00 C ATOM 455 C TYR A 32 0.445 -0.086 -1.740 1.00 0.00 C ATOM 456 O TYR A 32 1.564 0.209 -2.156 1.00 0.00 O ATOM 457 CB TYR A 32 -1.697 0.955 -2.474 1.00 0.00 C ATOM 458 CG TYR A 32 -1.515 1.943 -3.627 1.00 0.00 C ATOM 459 CD1 TYR A 32 -1.713 3.293 -3.416 1.00 0.00 C ATOM 460 CD2 TYR A 32 -1.151 1.486 -4.878 1.00 0.00 C ATOM 461 CE1 TYR A 32 -1.543 4.224 -4.502 1.00 0.00 C ATOM 462 CE2 TYR A 32 -0.980 2.417 -5.963 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.185 3.739 -5.722 1.00 0.00 C ATOM 464 OH TYR A 32 -1.022 4.619 -6.746 1.00 0.00 O ATOM 0 H TYR A 32 0.714 2.416 -2.278 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.949 0.834 -0.417 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.755 -0.055 -2.880 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.649 1.157 -1.983 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -1.995 3.651 -2.437 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.995 0.430 -5.043 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.696 5.282 -4.351 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.695 2.073 -6.946 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.765 4.133 -7.557 1.00 0.00 H new ATOM 474 N CYS A 33 0.025 -1.325 -1.529 1.00 0.00 N ATOM 475 CA CYS A 33 0.892 -2.463 -1.782 1.00 0.00 C ATOM 476 C CYS A 33 0.920 -2.719 -3.290 1.00 0.00 C ATOM 477 O CYS A 33 -0.127 -2.760 -3.936 1.00 0.00 O ATOM 478 CB CYS A 33 0.447 -3.700 -1.001 1.00 0.00 C ATOM 479 SG CYS A 33 1.401 -4.029 0.526 1.00 0.00 S ATOM 0 H CYS A 33 -0.905 -1.566 -1.185 1.00 0.00 H new ATOM 0 HA CYS A 33 1.900 -2.239 -1.433 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.605 -3.587 -0.738 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.521 -4.570 -1.653 1.00 0.00 H new ATOM 484 N ARG A 34 2.128 -2.887 -3.808 1.00 0.00 N ATOM 485 CA ARG A 34 2.304 -3.138 -5.228 1.00 0.00 C ATOM 486 C ARG A 34 3.410 -4.174 -5.450 1.00 0.00 C ATOM 487 O ARG A 34 3.592 -5.075 -4.634 1.00 0.00 O ATOM 488 CB ARG A 34 2.664 -1.852 -5.975 1.00 0.00 C ATOM 489 CG ARG A 34 3.263 -2.164 -7.348 1.00 0.00 C ATOM 490 CD ARG A 34 2.263 -2.924 -8.222 1.00 0.00 C ATOM 491 NE ARG A 34 2.935 -4.065 -8.884 1.00 0.00 N ATOM 492 CZ ARG A 34 2.879 -5.329 -8.445 1.00 0.00 C ATOM 493 NH1 ARG A 34 2.181 -5.622 -7.339 1.00 0.00 N ATOM 494 NH2 ARG A 34 3.520 -6.299 -9.110 1.00 0.00 N ATOM 0 H ARG A 34 2.994 -2.854 -3.270 1.00 0.00 H new ATOM 0 HA ARG A 34 1.359 -3.518 -5.617 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.773 -1.235 -6.095 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.376 -1.273 -5.387 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.552 -1.236 -7.842 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.170 -2.757 -7.227 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.434 -3.283 -7.612 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.841 -2.255 -8.972 1.00 0.00 H new ATOM 0 HE ARG A 34 3.475 -3.876 -9.728 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.693 -4.883 -6.833 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.137 -6.584 -7.003 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.051 -6.075 -9.951 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.477 -7.261 -8.775 1.00 0.00 H new