USER MOD reduce.3.24.130724 H: found=0, std=0, add=242, rem=0, adj=6 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+ -132:sc= 0.26 (180deg=0.00401) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot -160:sc= -0.732 USER MOD Single : A 11 GLN :FLIP amide:sc= -6.92! C(o=-9!,f=-6.9!) USER MOD Single : A 12 GLN : amide:sc= -0.0155 X(o=-0.015,f=-0.2) 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= -0.259 K(o=-0.26,f=-2.1!) USER MOD Single : A 32 TYR OH : rot -30:sc= -0.902 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -4.028 -7.729 8.168 1.00 0.00 N ATOM 2 CA CYS A 1 -3.018 -7.488 7.152 1.00 0.00 C ATOM 3 C CYS A 1 -3.580 -6.483 6.143 1.00 0.00 C ATOM 4 O CYS A 1 -4.642 -5.904 6.366 1.00 0.00 O ATOM 5 CB CYS A 1 -2.574 -8.787 6.476 1.00 0.00 C ATOM 6 SG CYS A 1 -3.926 -9.751 5.707 1.00 0.00 S ATOM 0 H1 CYS A 1 -3.596 -7.655 9.111 1.00 0.00 H new ATOM 0 H2 CYS A 1 -4.786 -7.023 8.078 1.00 0.00 H new ATOM 0 H3 CYS A 1 -4.426 -8.682 8.043 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.124 -7.073 7.617 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.836 -8.548 5.710 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -2.075 -9.413 7.216 1.00 0.00 H new ATOM 11 N VAL A 2 -2.841 -6.307 5.058 1.00 0.00 N ATOM 12 CA VAL A 2 -3.252 -5.382 4.016 1.00 0.00 C ATOM 13 C VAL A 2 -3.063 -6.043 2.649 1.00 0.00 C ATOM 14 O VAL A 2 -2.016 -6.629 2.379 1.00 0.00 O ATOM 15 CB VAL A 2 -2.487 -4.064 4.153 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.565 -3.838 2.954 1.00 0.00 C ATOM 17 CG2 VAL A 2 -3.448 -2.888 4.335 1.00 0.00 C ATOM 0 H VAL A 2 -1.960 -6.789 4.878 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.310 -5.140 4.117 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.865 -4.129 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.033 -2.894 3.077 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.846 -4.654 2.889 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.158 -3.804 2.040 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.878 -1.964 4.430 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.108 -2.820 3.470 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.044 -3.041 5.235 1.00 0.00 H new ATOM 27 N ARG A 3 -4.093 -5.927 1.823 1.00 0.00 N ATOM 28 CA ARG A 3 -4.053 -6.507 0.492 1.00 0.00 C ATOM 29 C ARG A 3 -3.210 -5.634 -0.442 1.00 0.00 C ATOM 30 O ARG A 3 -2.768 -4.554 -0.056 1.00 0.00 O ATOM 31 CB ARG A 3 -5.462 -6.649 -0.089 1.00 0.00 C ATOM 32 CG ARG A 3 -5.955 -8.093 0.018 1.00 0.00 C ATOM 33 CD ARG A 3 -6.951 -8.248 1.170 1.00 0.00 C ATOM 34 NE ARG A 3 -6.263 -8.045 2.465 1.00 0.00 N ATOM 35 CZ ARG A 3 -6.861 -8.150 3.659 1.00 0.00 C ATOM 36 NH1 ARG A 3 -8.164 -8.454 3.730 1.00 0.00 N ATOM 37 NH2 ARG A 3 -6.157 -7.949 4.782 1.00 0.00 N ATOM 0 H ARG A 3 -4.960 -5.440 2.050 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.604 -7.497 0.575 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.146 -5.987 0.441 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.462 -6.337 -1.133 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.427 -8.390 -0.918 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.107 -8.760 0.173 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.760 -7.526 1.062 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.403 -9.240 1.140 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.271 -7.810 2.447 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.700 -8.605 2.875 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.620 -8.534 4.639 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.165 -7.716 4.728 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.613 -8.029 5.691 1.00 0.00 H new ATOM 51 N LEU A 4 -3.013 -6.139 -1.651 1.00 0.00 N ATOM 52 CA LEU A 4 -2.230 -5.420 -2.642 1.00 0.00 C ATOM 53 C LEU A 4 -2.914 -4.088 -2.958 1.00 0.00 C ATOM 54 O LEU A 4 -2.286 -3.032 -2.894 1.00 0.00 O ATOM 55 CB LEU A 4 -1.990 -6.295 -3.873 1.00 0.00 C ATOM 56 CG LEU A 4 -0.654 -6.092 -4.591 1.00 0.00 C ATOM 57 CD1 LEU A 4 -0.002 -7.435 -4.928 1.00 0.00 C ATOM 58 CD2 LEU A 4 -0.825 -5.212 -5.830 1.00 0.00 C ATOM 0 H LEU A 4 -3.381 -7.036 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.241 -5.185 -2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.062 -7.340 -3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.794 -6.113 -4.586 1.00 0.00 H new ATOM 0 HG LEU A 4 0.020 -5.567 -3.914 1.00 0.00 H new ATOM 0 HD11 LEU A 4 0.946 -7.262 -5.438 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.177 -7.993 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.664 -8.008 -5.578 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.140 -5.084 -6.321 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.523 -5.686 -6.520 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.213 -4.238 -5.533 1.00 0.00 H new ATOM 70 N HIS A 5 -4.193 -4.182 -3.292 1.00 0.00 N ATOM 71 CA HIS A 5 -4.969 -2.997 -3.620 1.00 0.00 C ATOM 72 C HIS A 5 -5.538 -2.387 -2.337 1.00 0.00 C ATOM 73 O HIS A 5 -6.716 -2.038 -2.281 1.00 0.00 O ATOM 74 CB HIS A 5 -6.051 -3.324 -4.651 1.00 0.00 C ATOM 75 CG HIS A 5 -6.295 -2.224 -5.654 1.00 0.00 C ATOM 76 ND1 HIS A 5 -5.870 -2.300 -6.970 1.00 0.00 N ATOM 77 CD2 HIS A 5 -6.925 -1.020 -5.523 1.00 0.00 C ATOM 78 CE1 HIS A 5 -6.233 -1.188 -7.591 1.00 0.00 C ATOM 79 NE2 HIS A 5 -6.886 -0.396 -6.693 1.00 0.00 N ATOM 0 H HIS A 5 -4.711 -5.059 -3.343 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.323 -2.251 -4.082 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -5.768 -4.232 -5.184 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -6.983 -3.539 -4.129 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -7.378 -0.640 -4.620 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -6.045 -0.950 -8.627 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -7.280 0.524 -6.889 1.00 0.00 H new ATOM 88 N GLU A 6 -4.674 -2.278 -1.338 1.00 0.00 N ATOM 89 CA GLU A 6 -5.077 -1.715 -0.060 1.00 0.00 C ATOM 90 C GLU A 6 -4.021 -0.728 0.441 1.00 0.00 C ATOM 91 O GLU A 6 -2.917 -1.128 0.811 1.00 0.00 O ATOM 92 CB GLU A 6 -5.327 -2.819 0.970 1.00 0.00 C ATOM 93 CG GLU A 6 -6.665 -3.516 0.712 1.00 0.00 C ATOM 94 CD GLU A 6 -7.081 -4.366 1.913 1.00 0.00 C ATOM 95 OE1 GLU A 6 -6.168 -4.785 2.657 1.00 0.00 O ATOM 96 OE2 GLU A 6 -8.305 -4.576 2.064 1.00 0.00 O ATOM 0 H GLU A 6 -3.698 -2.570 -1.388 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.013 -1.175 -0.201 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.519 -3.549 0.929 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.322 -2.393 1.973 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.433 -2.771 0.506 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.586 -4.146 -0.174 1.00 0.00 H new ATOM 103 N SER A 7 -4.396 0.543 0.437 1.00 0.00 N ATOM 104 CA SER A 7 -3.495 1.590 0.886 1.00 0.00 C ATOM 105 C SER A 7 -2.629 1.077 2.039 1.00 0.00 C ATOM 106 O SER A 7 -3.050 0.204 2.795 1.00 0.00 O ATOM 107 CB SER A 7 -4.271 2.835 1.320 1.00 0.00 C ATOM 108 OG SER A 7 -3.735 3.412 2.506 1.00 0.00 O ATOM 0 H SER A 7 -5.312 0.871 0.130 1.00 0.00 H new ATOM 0 HA SER A 7 -2.851 1.868 0.052 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.251 3.572 0.517 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.316 2.572 1.485 1.00 0.00 H new ATOM 0 HG SER A 7 -4.410 3.985 2.925 1.00 0.00 H new ATOM 114 N CYS A 8 -1.434 1.641 2.135 1.00 0.00 N ATOM 115 CA CYS A 8 -0.505 1.252 3.182 1.00 0.00 C ATOM 116 C CYS A 8 -0.081 2.511 3.942 1.00 0.00 C ATOM 117 O CYS A 8 0.755 2.445 4.841 1.00 0.00 O ATOM 118 CB CYS A 8 0.698 0.493 2.617 1.00 0.00 C ATOM 119 SG CYS A 8 2.133 0.379 3.748 1.00 0.00 S ATOM 0 H CYS A 8 -1.088 2.364 1.505 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.996 0.563 3.869 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.381 -0.516 2.351 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.017 0.980 1.696 1.00 0.00 H new ATOM 124 N LEU A 9 -0.677 3.628 3.550 1.00 0.00 N ATOM 125 CA LEU A 9 -0.371 4.900 4.182 1.00 0.00 C ATOM 126 C LEU A 9 -0.802 4.852 5.650 1.00 0.00 C ATOM 127 O LEU A 9 -1.994 4.873 5.951 1.00 0.00 O ATOM 128 CB LEU A 9 -0.998 6.053 3.396 1.00 0.00 C ATOM 129 CG LEU A 9 -2.511 6.219 3.539 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.848 7.422 4.423 1.00 0.00 C ATOM 131 CD2 LEU A 9 -3.187 6.307 2.170 1.00 0.00 C ATOM 0 H LEU A 9 -1.370 3.678 2.803 1.00 0.00 H new ATOM 0 HA LEU A 9 0.704 5.082 4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.520 6.981 3.708 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.766 5.915 2.340 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.906 5.332 4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.930 7.518 4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.417 7.278 5.414 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.437 8.328 3.977 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.263 6.425 2.302 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.793 7.164 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.988 5.395 1.607 1.00 0.00 H new ATOM 143 N GLY A 10 0.192 4.787 6.523 1.00 0.00 N ATOM 144 CA GLY A 10 -0.069 4.735 7.951 1.00 0.00 C ATOM 145 C GLY A 10 -0.625 3.369 8.359 1.00 0.00 C ATOM 146 O GLY A 10 -1.417 3.271 9.296 1.00 0.00 O ATOM 0 H GLY A 10 1.180 4.769 6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.851 4.935 8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.779 5.516 8.223 1.00 0.00 H new ATOM 150 N GLN A 11 -0.190 2.349 7.634 1.00 0.00 N ATOM 151 CA GLN A 11 -0.636 0.993 7.908 1.00 0.00 C ATOM 152 C GLN A 11 0.076 0.441 9.145 1.00 0.00 C ATOM 153 O GLN A 11 1.297 0.528 9.253 1.00 0.00 O ATOM 154 CB GLN A 11 -0.410 0.088 6.695 1.00 0.00 C ATOM 155 CG GLN A 11 0.791 -0.835 6.915 1.00 0.00 C ATOM 156 CD GLN A 11 0.930 -1.837 5.767 1.00 0.00 C ATOM 157 OE1 GLN A 11 -0.190 -2.499 5.488 1.00 0.00 O flip ATOM 158 NE2 GLN A 11 1.984 -1.997 5.174 1.00 0.00 N flip ATOM 0 H GLN A 11 0.466 2.434 6.858 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.707 1.015 8.109 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.303 -0.509 6.511 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.246 0.698 5.807 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.701 -0.241 6.996 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.675 -1.370 7.858 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.806 -1.455 5.440 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.043 -2.673 4.412 1.00 0.00 H new ATOM 167 N GLN A 12 -0.721 -0.114 10.046 1.00 0.00 N ATOM 168 CA GLN A 12 -0.183 -0.680 11.272 1.00 0.00 C ATOM 169 C GLN A 12 0.019 -2.190 11.115 1.00 0.00 C ATOM 170 O GLN A 12 0.740 -2.807 11.898 1.00 0.00 O ATOM 171 CB GLN A 12 -1.091 -0.369 12.464 1.00 0.00 C ATOM 172 CG GLN A 12 -0.271 0.081 13.674 1.00 0.00 C ATOM 173 CD GLN A 12 -0.966 -0.304 14.982 1.00 0.00 C ATOM 174 OE1 GLN A 12 -1.334 -1.445 15.207 1.00 0.00 O ATOM 175 NE2 GLN A 12 -1.124 0.709 15.828 1.00 0.00 N ATOM 0 H GLN A 12 -1.734 -0.184 9.952 1.00 0.00 H new ATOM 0 HA GLN A 12 0.786 -0.221 11.467 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.801 0.411 12.191 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.673 -1.253 12.723 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.719 -0.374 13.636 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.127 1.161 13.639 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.792 1.640 15.576 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.577 0.555 16.729 1.00 0.00 H new ATOM 184 N VAL A 13 -0.630 -2.739 10.099 1.00 0.00 N ATOM 185 CA VAL A 13 -0.530 -4.162 9.830 1.00 0.00 C ATOM 186 C VAL A 13 0.284 -4.380 8.553 1.00 0.00 C ATOM 187 O VAL A 13 0.357 -3.496 7.701 1.00 0.00 O ATOM 188 CB VAL A 13 -1.928 -4.780 9.760 1.00 0.00 C ATOM 189 CG1 VAL A 13 -2.152 -5.760 10.913 1.00 0.00 C ATOM 190 CG2 VAL A 13 -3.007 -3.696 9.743 1.00 0.00 C ATOM 0 H VAL A 13 -1.227 -2.223 9.452 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.005 -4.668 10.640 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.001 -5.339 8.827 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.153 -6.185 10.840 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.413 -6.560 10.859 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.049 -5.234 11.862 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.991 -4.163 9.693 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.935 -3.097 10.651 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.865 -3.055 8.873 1.00 0.00 H new ATOM 200 N PRO A 14 0.892 -5.593 8.458 1.00 0.00 N ATOM 201 CA PRO A 14 1.698 -5.939 7.300 1.00 0.00 C ATOM 202 C PRO A 14 0.815 -6.249 6.090 1.00 0.00 C ATOM 203 O PRO A 14 -0.410 -6.269 6.200 1.00 0.00 O ATOM 204 CB PRO A 14 2.536 -7.127 7.744 1.00 0.00 C ATOM 205 CG PRO A 14 1.838 -7.693 8.970 1.00 0.00 C ATOM 206 CD PRO A 14 0.827 -6.664 9.449 1.00 0.00 C ATOM 0 HA PRO A 14 2.337 -5.119 6.972 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.604 -7.874 6.953 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.555 -6.820 7.981 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.341 -8.632 8.726 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.562 -7.910 9.755 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.175 -7.090 9.507 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.076 -6.298 10.445 1.00 0.00 H new ATOM 214 N CYS A 15 1.471 -6.482 4.964 1.00 0.00 N ATOM 215 CA CYS A 15 0.761 -6.790 3.733 1.00 0.00 C ATOM 216 C CYS A 15 0.680 -8.312 3.592 1.00 0.00 C ATOM 217 O CYS A 15 1.705 -8.993 3.581 1.00 0.00 O ATOM 218 CB CYS A 15 1.425 -6.139 2.518 1.00 0.00 C ATOM 219 SG CYS A 15 0.331 -5.928 1.067 1.00 0.00 S ATOM 0 H CYS A 15 2.487 -6.464 4.877 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.246 -6.376 3.779 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.809 -5.162 2.811 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.283 -6.743 2.224 1.00 0.00 H new ATOM 224 N CYS A 16 -0.547 -8.801 3.490 1.00 0.00 N ATOM 225 CA CYS A 16 -0.774 -10.229 3.351 1.00 0.00 C ATOM 226 C CYS A 16 0.020 -10.725 2.141 1.00 0.00 C ATOM 227 O CYS A 16 0.547 -11.837 2.154 1.00 0.00 O ATOM 228 CB CYS A 16 -2.264 -10.555 3.231 1.00 0.00 C ATOM 229 SG CYS A 16 -3.011 -11.295 4.729 1.00 0.00 S ATOM 0 H CYS A 16 -1.394 -8.233 3.501 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.428 -10.745 4.247 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.803 -9.640 2.988 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.405 -11.240 2.395 1.00 0.00 H new ATOM 234 N ASP A 17 0.078 -9.878 1.124 1.00 0.00 N ATOM 235 CA ASP A 17 0.798 -10.219 -0.091 1.00 0.00 C ATOM 236 C ASP A 17 2.288 -9.940 0.108 1.00 0.00 C ATOM 237 O ASP A 17 2.680 -8.809 0.396 1.00 0.00 O ATOM 238 CB ASP A 17 0.313 -9.374 -1.272 1.00 0.00 C ATOM 239 CG ASP A 17 -0.836 -9.985 -2.076 1.00 0.00 C ATOM 240 OD1 ASP A 17 -1.727 -10.580 -1.432 1.00 0.00 O ATOM 241 OD2 ASP A 17 -0.798 -9.845 -3.318 1.00 0.00 O ATOM 0 H ASP A 17 -0.361 -8.957 1.116 1.00 0.00 H new ATOM 0 HA ASP A 17 0.622 -11.273 -0.303 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -0.003 -8.401 -0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.154 -9.199 -1.944 1.00 0.00 H new ATOM 246 N PRO A 18 3.102 -11.018 -0.056 1.00 0.00 N ATOM 247 CA PRO A 18 4.541 -10.900 0.105 1.00 0.00 C ATOM 248 C PRO A 18 5.172 -10.197 -1.100 1.00 0.00 C ATOM 249 O PRO A 18 6.220 -9.565 -0.976 1.00 0.00 O ATOM 250 CB PRO A 18 5.034 -12.326 0.286 1.00 0.00 C ATOM 251 CG PRO A 18 3.925 -13.221 -0.240 1.00 0.00 C ATOM 252 CD PRO A 18 2.674 -12.371 -0.396 1.00 0.00 C ATOM 0 HA PRO A 18 4.820 -10.284 0.960 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.962 -12.491 -0.262 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.242 -12.537 1.335 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.210 -13.660 -1.196 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.742 -14.047 0.448 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.286 -12.420 -1.413 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.878 -12.713 0.265 1.00 0.00 H new ATOM 260 N ALA A 19 4.506 -10.333 -2.238 1.00 0.00 N ATOM 261 CA ALA A 19 4.988 -9.719 -3.464 1.00 0.00 C ATOM 262 C ALA A 19 4.518 -8.264 -3.519 1.00 0.00 C ATOM 263 O ALA A 19 4.742 -7.572 -4.512 1.00 0.00 O ATOM 264 CB ALA A 19 4.506 -10.533 -4.666 1.00 0.00 C ATOM 0 H ALA A 19 3.638 -10.859 -2.337 1.00 0.00 H new ATOM 0 HA ALA A 19 6.078 -9.715 -3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.867 -10.073 -5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.890 -11.550 -4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.416 -10.557 -4.676 1.00 0.00 H new ATOM 270 N ALA A 20 3.875 -7.841 -2.440 1.00 0.00 N ATOM 271 CA ALA A 20 3.372 -6.481 -2.353 1.00 0.00 C ATOM 272 C ALA A 20 4.424 -5.594 -1.684 1.00 0.00 C ATOM 273 O ALA A 20 5.158 -6.050 -0.807 1.00 0.00 O ATOM 274 CB ALA A 20 2.041 -6.475 -1.600 1.00 0.00 C ATOM 0 H ALA A 20 3.691 -8.417 -1.618 1.00 0.00 H new ATOM 0 HA ALA A 20 3.185 -6.078 -3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.664 -5.454 -1.535 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.319 -7.095 -2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.189 -6.871 -0.596 1.00 0.00 H new ATOM 280 N THR A 21 4.465 -4.345 -2.122 1.00 0.00 N ATOM 281 CA THR A 21 5.415 -3.390 -1.576 1.00 0.00 C ATOM 282 C THR A 21 4.724 -2.056 -1.287 1.00 0.00 C ATOM 283 O THR A 21 4.064 -1.494 -2.160 1.00 0.00 O ATOM 284 CB THR A 21 6.582 -3.271 -2.558 1.00 0.00 C ATOM 285 OG1 THR A 21 7.694 -3.801 -1.841 1.00 0.00 O ATOM 286 CG2 THR A 21 6.972 -1.817 -2.829 1.00 0.00 C ATOM 0 H THR A 21 3.855 -3.971 -2.849 1.00 0.00 H new ATOM 0 HA THR A 21 5.811 -3.728 -0.618 1.00 0.00 H new ATOM 0 HB THR A 21 6.318 -3.757 -3.497 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.495 -3.764 -2.405 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.805 -1.789 -3.532 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.121 -1.285 -3.253 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.269 -1.340 -1.895 1.00 0.00 H new ATOM 294 N CYS A 22 4.900 -1.588 -0.061 1.00 0.00 N ATOM 295 CA CYS A 22 4.302 -0.331 0.354 1.00 0.00 C ATOM 296 C CYS A 22 4.858 0.782 -0.537 1.00 0.00 C ATOM 297 O CYS A 22 5.800 1.477 -0.155 1.00 0.00 O ATOM 298 CB CYS A 22 4.547 -0.049 1.838 1.00 0.00 C ATOM 299 SG CYS A 22 3.568 1.334 2.528 1.00 0.00 S ATOM 0 H CYS A 22 5.449 -2.057 0.659 1.00 0.00 H new ATOM 0 HA CYS A 22 3.220 -0.384 0.236 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.325 -0.952 2.407 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.606 0.166 1.983 1.00 0.00 H new ATOM 304 N TYR A 23 4.251 0.919 -1.707 1.00 0.00 N ATOM 305 CA TYR A 23 4.674 1.934 -2.656 1.00 0.00 C ATOM 306 C TYR A 23 3.705 3.118 -2.659 1.00 0.00 C ATOM 307 O TYR A 23 2.496 2.936 -2.524 1.00 0.00 O ATOM 308 CB TYR A 23 4.646 1.265 -4.032 1.00 0.00 C ATOM 309 CG TYR A 23 5.547 1.939 -5.069 1.00 0.00 C ATOM 310 CD1 TYR A 23 5.203 3.171 -5.586 1.00 0.00 C ATOM 311 CD2 TYR A 23 6.704 1.314 -5.488 1.00 0.00 C ATOM 312 CE1 TYR A 23 6.049 3.806 -6.562 1.00 0.00 C ATOM 313 CE2 TYR A 23 7.551 1.948 -6.465 1.00 0.00 C ATOM 314 CZ TYR A 23 7.182 3.163 -6.954 1.00 0.00 C ATOM 315 OH TYR A 23 7.983 3.761 -7.876 1.00 0.00 O ATOM 0 H TYR A 23 3.469 0.343 -2.019 1.00 0.00 H new ATOM 0 HA TYR A 23 5.662 2.314 -2.396 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.949 0.223 -3.925 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.621 1.262 -4.403 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.298 3.660 -5.258 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.974 0.350 -5.083 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.790 4.770 -6.974 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.459 1.470 -6.802 1.00 0.00 H new ATOM 0 HH TYR A 23 8.756 3.187 -8.059 1.00 0.00 H new ATOM 325 N CYS A 24 4.272 4.306 -2.814 1.00 0.00 N ATOM 326 CA CYS A 24 3.472 5.519 -2.836 1.00 0.00 C ATOM 327 C CYS A 24 3.894 6.349 -4.051 1.00 0.00 C ATOM 328 O CYS A 24 5.068 6.683 -4.203 1.00 0.00 O ATOM 329 CB CYS A 24 3.606 6.308 -1.532 1.00 0.00 C ATOM 330 SG CYS A 24 4.186 5.330 -0.100 1.00 0.00 S ATOM 0 H CYS A 24 5.275 4.454 -2.925 1.00 0.00 H new ATOM 0 HA CYS A 24 2.416 5.261 -2.921 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.298 7.135 -1.694 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.638 6.745 -1.287 1.00 0.00 H new ATOM 335 N ARG A 25 2.912 6.660 -4.884 1.00 0.00 N ATOM 336 CA ARG A 25 3.166 7.444 -6.081 1.00 0.00 C ATOM 337 C ARG A 25 3.618 8.856 -5.703 1.00 0.00 C ATOM 338 O ARG A 25 4.691 9.298 -6.113 1.00 0.00 O ATOM 339 CB ARG A 25 1.914 7.535 -6.955 1.00 0.00 C ATOM 340 CG ARG A 25 2.058 8.640 -8.005 1.00 0.00 C ATOM 341 CD ARG A 25 3.394 8.525 -8.742 1.00 0.00 C ATOM 342 NE ARG A 25 3.705 7.103 -9.008 1.00 0.00 N ATOM 343 CZ ARG A 25 4.422 6.673 -10.055 1.00 0.00 C ATOM 344 NH1 ARG A 25 4.907 7.554 -10.942 1.00 0.00 N ATOM 345 NH2 ARG A 25 4.655 5.364 -10.218 1.00 0.00 N ATOM 0 H ARG A 25 1.939 6.383 -4.754 1.00 0.00 H new ATOM 0 HA ARG A 25 3.954 6.944 -6.645 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.741 6.579 -7.449 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.043 7.733 -6.330 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.238 8.577 -8.720 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.987 9.615 -7.524 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.350 9.078 -9.680 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.188 8.974 -8.145 1.00 0.00 H new ATOM 0 HE ARG A 25 3.351 6.406 -8.353 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.730 8.551 -10.819 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.453 7.227 -11.739 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.286 4.693 -9.544 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.201 5.039 -11.016 1.00 0.00 H new ATOM 359 N PHE A 26 2.780 9.525 -4.926 1.00 0.00 N ATOM 360 CA PHE A 26 3.081 10.876 -4.487 1.00 0.00 C ATOM 361 C PHE A 26 3.696 10.875 -3.087 1.00 0.00 C ATOM 362 O PHE A 26 4.274 9.877 -2.660 1.00 0.00 O ATOM 363 CB PHE A 26 1.756 11.640 -4.448 1.00 0.00 C ATOM 364 CG PHE A 26 1.861 13.094 -4.910 1.00 0.00 C ATOM 365 CD1 PHE A 26 3.061 13.733 -4.876 1.00 0.00 C ATOM 366 CD2 PHE A 26 0.755 13.750 -5.353 1.00 0.00 C ATOM 367 CE1 PHE A 26 3.160 15.084 -5.303 1.00 0.00 C ATOM 368 CE2 PHE A 26 0.853 15.100 -5.781 1.00 0.00 C ATOM 369 CZ PHE A 26 2.054 15.739 -5.747 1.00 0.00 C ATOM 0 H PHE A 26 1.891 9.156 -4.589 1.00 0.00 H new ATOM 0 HA PHE A 26 3.797 11.336 -5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.031 11.122 -5.076 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.367 11.620 -3.430 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.940 13.213 -4.524 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.199 13.243 -5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.113 15.591 -5.275 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.026 15.620 -6.134 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.129 16.766 -6.073 1.00 0.00 H new ATOM 379 N PHE A 27 3.553 12.006 -2.410 1.00 0.00 N ATOM 380 CA PHE A 27 4.087 12.148 -1.067 1.00 0.00 C ATOM 381 C PHE A 27 3.195 11.441 -0.045 1.00 0.00 C ATOM 382 O PHE A 27 3.614 10.469 0.582 1.00 0.00 O ATOM 383 CB PHE A 27 4.114 13.645 -0.754 1.00 0.00 C ATOM 384 CG PHE A 27 5.397 14.112 -0.061 1.00 0.00 C ATOM 385 CD1 PHE A 27 6.584 14.064 -0.725 1.00 0.00 C ATOM 386 CD2 PHE A 27 5.351 14.576 1.216 1.00 0.00 C ATOM 387 CE1 PHE A 27 7.774 14.496 -0.083 1.00 0.00 C ATOM 388 CE2 PHE A 27 6.541 15.009 1.857 1.00 0.00 C ATOM 389 CZ PHE A 27 7.728 14.961 1.195 1.00 0.00 C ATOM 0 H PHE A 27 3.074 12.833 -2.768 1.00 0.00 H new ATOM 0 HA PHE A 27 5.080 11.702 -1.012 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.991 14.202 -1.683 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.261 13.889 -0.120 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.621 13.697 -1.740 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.409 14.615 1.743 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.716 14.456 -0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.504 15.377 2.872 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.633 15.292 1.683 1.00 0.00 H new ATOM 399 N ASN A 28 1.982 11.956 0.092 1.00 0.00 N ATOM 400 CA ASN A 28 1.028 11.386 1.028 1.00 0.00 C ATOM 401 C ASN A 28 -0.385 11.538 0.464 1.00 0.00 C ATOM 402 O ASN A 28 -1.145 12.400 0.905 1.00 0.00 O ATOM 403 CB ASN A 28 1.079 12.108 2.376 1.00 0.00 C ATOM 404 CG ASN A 28 0.747 11.152 3.523 1.00 0.00 C ATOM 405 OD1 ASN A 28 0.913 9.946 3.429 1.00 0.00 O ATOM 406 ND2 ASN A 28 0.269 11.754 4.608 1.00 0.00 N ATOM 0 H ASN A 28 1.638 12.762 -0.430 1.00 0.00 H new ATOM 0 HA ASN A 28 1.283 10.336 1.172 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.071 12.533 2.528 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.373 12.939 2.375 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.017 11.202 5.428 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.155 12.768 4.620 1.00 0.00 H new ATOM 413 N ALA A 29 -0.697 10.687 -0.504 1.00 0.00 N ATOM 414 CA ALA A 29 -2.007 10.716 -1.133 1.00 0.00 C ATOM 415 C ALA A 29 -2.310 9.342 -1.733 1.00 0.00 C ATOM 416 O ALA A 29 -3.439 8.862 -1.654 1.00 0.00 O ATOM 417 CB ALA A 29 -2.045 11.830 -2.180 1.00 0.00 C ATOM 0 H ALA A 29 -0.065 9.974 -0.868 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.782 10.933 -0.397 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.027 11.852 -2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.852 12.789 -1.698 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.283 11.644 -2.937 1.00 0.00 H new ATOM 423 N PHE A 30 -1.281 8.747 -2.319 1.00 0.00 N ATOM 424 CA PHE A 30 -1.423 7.437 -2.931 1.00 0.00 C ATOM 425 C PHE A 30 -0.305 6.495 -2.479 1.00 0.00 C ATOM 426 O PHE A 30 0.827 6.596 -2.950 1.00 0.00 O ATOM 427 CB PHE A 30 -1.321 7.638 -4.445 1.00 0.00 C ATOM 428 CG PHE A 30 -2.635 8.058 -5.107 1.00 0.00 C ATOM 429 CD1 PHE A 30 -3.803 7.470 -4.732 1.00 0.00 C ATOM 430 CD2 PHE A 30 -2.635 9.020 -6.067 1.00 0.00 C ATOM 431 CE1 PHE A 30 -5.023 7.861 -5.347 1.00 0.00 C ATOM 432 CE2 PHE A 30 -3.855 9.410 -6.682 1.00 0.00 C ATOM 433 CZ PHE A 30 -5.023 8.823 -6.308 1.00 0.00 C ATOM 0 H PHE A 30 -0.345 9.148 -2.383 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.375 6.993 -2.641 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.564 8.395 -4.650 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.976 6.710 -4.902 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.803 6.707 -3.968 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.708 9.488 -6.362 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.951 7.394 -5.051 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.855 10.173 -7.447 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.951 9.121 -6.774 1.00 0.00 H new ATOM 443 N CYS A 31 -0.663 5.600 -1.568 1.00 0.00 N ATOM 444 CA CYS A 31 0.295 4.642 -1.045 1.00 0.00 C ATOM 445 C CYS A 31 -0.450 3.347 -0.717 1.00 0.00 C ATOM 446 O CYS A 31 -1.357 3.343 0.114 1.00 0.00 O ATOM 447 CB CYS A 31 1.043 5.194 0.170 1.00 0.00 C ATOM 448 SG CYS A 31 2.634 4.365 0.534 1.00 0.00 S ATOM 0 H CYS A 31 -1.603 5.519 -1.180 1.00 0.00 H new ATOM 0 HA CYS A 31 1.058 4.440 -1.797 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.231 6.256 0.012 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.398 5.111 1.045 1.00 0.00 H new ATOM 453 N TYR A 32 -0.041 2.279 -1.386 1.00 0.00 N ATOM 454 CA TYR A 32 -0.660 0.982 -1.175 1.00 0.00 C ATOM 455 C TYR A 32 0.362 -0.147 -1.340 1.00 0.00 C ATOM 456 O TYR A 32 1.567 0.095 -1.319 1.00 0.00 O ATOM 457 CB TYR A 32 -1.732 0.845 -2.257 1.00 0.00 C ATOM 458 CG TYR A 32 -1.704 1.959 -3.305 1.00 0.00 C ATOM 459 CD1 TYR A 32 -2.128 3.229 -2.973 1.00 0.00 C ATOM 460 CD2 TYR A 32 -1.255 1.695 -4.583 1.00 0.00 C ATOM 461 CE1 TYR A 32 -2.102 4.279 -3.959 1.00 0.00 C ATOM 462 CE2 TYR A 32 -1.229 2.743 -5.570 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.653 3.983 -5.208 1.00 0.00 C ATOM 464 OH TYR A 32 -1.628 4.974 -6.141 1.00 0.00 O ATOM 0 H TYR A 32 0.712 2.286 -2.075 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.071 0.913 -0.168 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.607 -0.115 -2.758 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.713 0.831 -1.782 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.480 3.436 -1.973 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.923 0.701 -4.843 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.431 5.278 -3.712 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.881 2.549 -6.574 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.345 5.616 -5.956 1.00 0.00 H new ATOM 474 N CYS A 33 -0.159 -1.354 -1.500 1.00 0.00 N ATOM 475 CA CYS A 33 0.693 -2.520 -1.669 1.00 0.00 C ATOM 476 C CYS A 33 0.837 -2.795 -3.167 1.00 0.00 C ATOM 477 O CYS A 33 -0.056 -3.373 -3.784 1.00 0.00 O ATOM 478 CB CYS A 33 0.145 -3.733 -0.915 1.00 0.00 C ATOM 479 SG CYS A 33 0.641 -3.831 0.845 1.00 0.00 S ATOM 0 H CYS A 33 -1.160 -1.551 -1.516 1.00 0.00 H new ATOM 0 HA CYS A 33 1.676 -2.323 -1.241 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.943 -3.717 -0.971 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.477 -4.639 -1.422 1.00 0.00 H new ATOM 484 N ARG A 34 1.969 -2.371 -3.707 1.00 0.00 N ATOM 485 CA ARG A 34 2.243 -2.565 -5.121 1.00 0.00 C ATOM 486 C ARG A 34 3.518 -3.390 -5.307 1.00 0.00 C ATOM 487 O ARG A 34 4.495 -3.201 -4.583 1.00 0.00 O ATOM 488 CB ARG A 34 2.401 -1.225 -5.841 1.00 0.00 C ATOM 489 CG ARG A 34 1.813 -1.288 -7.253 1.00 0.00 C ATOM 490 CD ARG A 34 2.730 -2.075 -8.193 1.00 0.00 C ATOM 491 NE ARG A 34 1.918 -2.841 -9.166 1.00 0.00 N ATOM 492 CZ ARG A 34 1.421 -4.064 -8.933 1.00 0.00 C ATOM 493 NH1 ARG A 34 1.650 -4.666 -7.757 1.00 0.00 N ATOM 494 NH2 ARG A 34 0.697 -4.683 -9.874 1.00 0.00 N ATOM 0 H ARG A 34 2.708 -1.893 -3.191 1.00 0.00 H new ATOM 0 HA ARG A 34 1.396 -3.098 -5.552 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.903 -0.441 -5.271 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.457 -0.959 -5.894 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.830 -1.757 -7.221 1.00 0.00 H new ATOM 0 HG3 ARG A 34 1.672 -0.278 -7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.397 -1.393 -8.720 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.359 -2.754 -7.617 1.00 0.00 H new ATOM 0 HE ARG A 34 1.725 -2.411 -10.070 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.202 -4.193 -7.041 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.272 -5.597 -7.578 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.524 -4.224 -10.768 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.319 -5.614 -9.697 1.00 0.00 H new TER 508 ARG A 34