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+ -141:sc= 0.216 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.65 X(o=-0.65,f=-0.5) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= -7.27! C(o=-8.4!,f=-7.3!) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 21 THR OG1 : rot 54:sc= -0.748 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.177 X(o=0.18,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= -1.02 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -4.239 -7.663 8.039 1.00 0.00 N ATOM 2 CA CYS A 1 -3.149 -7.442 7.104 1.00 0.00 C ATOM 3 C CYS A 1 -3.607 -6.418 6.064 1.00 0.00 C ATOM 4 O CYS A 1 -4.654 -5.791 6.224 1.00 0.00 O ATOM 5 CB CYS A 1 -2.687 -8.748 6.454 1.00 0.00 C ATOM 6 SG CYS A 1 -3.976 -9.630 5.504 1.00 0.00 S ATOM 0 H1 CYS A 1 -3.857 -7.758 9.002 1.00 0.00 H new ATOM 0 H2 CYS A 1 -4.895 -6.856 8.005 1.00 0.00 H new ATOM 0 H3 CYS A 1 -4.747 -8.533 7.781 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.283 -7.052 7.638 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.851 -8.531 5.790 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -2.311 -9.412 7.233 1.00 0.00 H new ATOM 11 N VAL A 2 -2.802 -6.280 5.020 1.00 0.00 N ATOM 12 CA VAL A 2 -3.113 -5.343 3.954 1.00 0.00 C ATOM 13 C VAL A 2 -2.880 -6.020 2.603 1.00 0.00 C ATOM 14 O VAL A 2 -1.828 -6.615 2.375 1.00 0.00 O ATOM 15 CB VAL A 2 -2.295 -4.061 4.130 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.870 -3.492 2.773 1.00 0.00 C ATOM 17 CG2 VAL A 2 -3.070 -3.022 4.941 1.00 0.00 C ATOM 0 H VAL A 2 -1.935 -6.802 4.890 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.162 -5.051 3.995 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.392 -4.313 4.686 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.290 -2.582 2.926 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.261 -4.226 2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.756 -3.263 2.181 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.466 -2.122 5.051 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.998 -2.776 4.425 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.300 -3.427 5.926 1.00 0.00 H new ATOM 27 N ARG A 3 -3.879 -5.906 1.740 1.00 0.00 N ATOM 28 CA ARG A 3 -3.797 -6.501 0.418 1.00 0.00 C ATOM 29 C ARG A 3 -3.095 -5.547 -0.550 1.00 0.00 C ATOM 30 O ARG A 3 -2.793 -4.408 -0.196 1.00 0.00 O ATOM 31 CB ARG A 3 -5.189 -6.832 -0.126 1.00 0.00 C ATOM 32 CG ARG A 3 -6.000 -7.632 0.895 1.00 0.00 C ATOM 33 CD ARG A 3 -5.118 -8.648 1.622 1.00 0.00 C ATOM 34 NE ARG A 3 -4.400 -9.488 0.637 1.00 0.00 N ATOM 35 CZ ARG A 3 -4.990 -10.414 -0.133 1.00 0.00 C ATOM 36 NH1 ARG A 3 -6.310 -10.621 -0.038 1.00 0.00 N ATOM 37 NH2 ARG A 3 -4.259 -11.129 -0.998 1.00 0.00 N ATOM 0 H ARG A 3 -4.750 -5.410 1.931 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.224 -7.424 0.506 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.716 -5.910 -0.372 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.096 -7.403 -1.050 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.451 -6.953 1.619 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.817 -8.149 0.391 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -4.403 -8.130 2.261 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.730 -9.275 2.271 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.394 -9.354 0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.866 -10.074 0.620 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -6.759 -11.325 -0.623 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.254 -10.969 -1.071 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.707 -11.833 -1.584 1.00 0.00 H new ATOM 51 N LEU A 4 -2.851 -6.049 -1.753 1.00 0.00 N ATOM 52 CA LEU A 4 -2.188 -5.254 -2.774 1.00 0.00 C ATOM 53 C LEU A 4 -3.000 -3.982 -3.032 1.00 0.00 C ATOM 54 O LEU A 4 -2.461 -2.877 -2.980 1.00 0.00 O ATOM 55 CB LEU A 4 -1.943 -6.093 -4.030 1.00 0.00 C ATOM 56 CG LEU A 4 -0.562 -5.952 -4.672 1.00 0.00 C ATOM 57 CD1 LEU A 4 0.145 -7.305 -4.758 1.00 0.00 C ATOM 58 CD2 LEU A 4 -0.660 -5.268 -6.038 1.00 0.00 C ATOM 0 H LEU A 4 -3.100 -6.995 -2.043 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.202 -4.939 -2.432 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.099 -7.142 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.696 -5.828 -4.772 1.00 0.00 H new ATOM 0 HG LEU A 4 0.047 -5.312 -4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.124 -7.175 -5.218 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.267 -7.716 -3.756 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.451 -7.990 -5.361 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.336 -5.180 -6.473 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.293 -5.862 -6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.092 -4.275 -5.917 1.00 0.00 H new ATOM 70 N HIS A 5 -4.281 -4.182 -3.307 1.00 0.00 N ATOM 71 CA HIS A 5 -5.172 -3.066 -3.572 1.00 0.00 C ATOM 72 C HIS A 5 -5.702 -2.506 -2.251 1.00 0.00 C ATOM 73 O HIS A 5 -6.896 -2.243 -2.120 1.00 0.00 O ATOM 74 CB HIS A 5 -6.288 -3.480 -4.532 1.00 0.00 C ATOM 75 CG HIS A 5 -7.391 -4.282 -3.883 1.00 0.00 C ATOM 76 ND1 HIS A 5 -8.724 -4.143 -4.230 1.00 0.00 N ATOM 77 CD2 HIS A 5 -7.345 -5.231 -2.905 1.00 0.00 C ATOM 78 CE1 HIS A 5 -9.438 -4.976 -3.488 1.00 0.00 C ATOM 79 NE2 HIS A 5 -8.581 -5.650 -2.667 1.00 0.00 N ATOM 0 H HIS A 5 -4.723 -5.100 -3.352 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.622 -2.267 -4.069 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -6.719 -2.584 -4.979 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -5.856 -4.066 -5.344 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -6.453 -5.582 -2.408 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -10.510 -5.100 -3.526 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -8.847 -6.359 -1.983 1.00 0.00 H new ATOM 88 N GLU A 6 -4.789 -2.341 -1.306 1.00 0.00 N ATOM 89 CA GLU A 6 -5.148 -1.816 0.000 1.00 0.00 C ATOM 90 C GLU A 6 -4.086 -0.830 0.488 1.00 0.00 C ATOM 91 O GLU A 6 -2.980 -1.232 0.847 1.00 0.00 O ATOM 92 CB GLU A 6 -5.351 -2.949 1.009 1.00 0.00 C ATOM 93 CG GLU A 6 -6.692 -3.651 0.782 1.00 0.00 C ATOM 94 CD GLU A 6 -6.990 -4.641 1.911 1.00 0.00 C ATOM 95 OE1 GLU A 6 -6.039 -4.947 2.664 1.00 0.00 O ATOM 96 OE2 GLU A 6 -8.160 -5.070 1.995 1.00 0.00 O ATOM 0 H GLU A 6 -3.800 -2.562 -1.419 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.094 -1.282 -0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.539 -3.671 0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.312 -2.550 2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.489 -2.910 0.723 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.674 -4.177 -0.173 1.00 0.00 H new ATOM 103 N SER A 7 -4.458 0.441 0.487 1.00 0.00 N ATOM 104 CA SER A 7 -3.550 1.488 0.926 1.00 0.00 C ATOM 105 C SER A 7 -2.681 0.977 2.076 1.00 0.00 C ATOM 106 O SER A 7 -3.135 0.181 2.896 1.00 0.00 O ATOM 107 CB SER A 7 -4.318 2.739 1.355 1.00 0.00 C ATOM 108 OG SER A 7 -3.793 3.302 2.554 1.00 0.00 O ATOM 0 H SER A 7 -5.376 0.770 0.189 1.00 0.00 H new ATOM 0 HA SER A 7 -2.909 1.759 0.087 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.277 3.481 0.558 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.368 2.487 1.502 1.00 0.00 H new ATOM 0 HG SER A 7 -4.309 4.100 2.794 1.00 0.00 H new ATOM 114 N CYS A 8 -1.446 1.457 2.100 1.00 0.00 N ATOM 115 CA CYS A 8 -0.509 1.059 3.136 1.00 0.00 C ATOM 116 C CYS A 8 -0.070 2.314 3.895 1.00 0.00 C ATOM 117 O CYS A 8 0.802 2.247 4.759 1.00 0.00 O ATOM 118 CB CYS A 8 0.684 0.296 2.558 1.00 0.00 C ATOM 119 SG CYS A 8 2.129 0.169 3.674 1.00 0.00 S ATOM 0 H CYS A 8 -1.073 2.118 1.418 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.997 0.370 3.825 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.359 -0.710 2.292 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.997 0.785 1.635 1.00 0.00 H new ATOM 124 N LEU A 9 -0.695 3.427 3.542 1.00 0.00 N ATOM 125 CA LEU A 9 -0.378 4.696 4.178 1.00 0.00 C ATOM 126 C LEU A 9 -0.883 4.675 5.623 1.00 0.00 C ATOM 127 O LEU A 9 -2.013 4.266 5.884 1.00 0.00 O ATOM 128 CB LEU A 9 -0.927 5.860 3.352 1.00 0.00 C ATOM 129 CG LEU A 9 -2.081 6.645 3.982 1.00 0.00 C ATOM 130 CD1 LEU A 9 -1.560 7.854 4.760 1.00 0.00 C ATOM 131 CD2 LEU A 9 -3.114 7.044 2.925 1.00 0.00 C ATOM 0 H LEU A 9 -1.419 3.478 2.825 1.00 0.00 H new ATOM 0 HA LEU A 9 0.701 4.845 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.110 6.553 3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.261 5.471 2.390 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.587 5.996 4.697 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.399 8.394 5.197 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.893 7.516 5.553 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.016 8.514 4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.923 7.600 3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.638 7.669 2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.517 6.148 2.454 1.00 0.00 H new ATOM 143 N GLY A 10 -0.019 5.122 6.523 1.00 0.00 N ATOM 144 CA GLY A 10 -0.361 5.160 7.934 1.00 0.00 C ATOM 145 C GLY A 10 -0.958 3.827 8.390 1.00 0.00 C ATOM 146 O GLY A 10 -1.815 3.796 9.273 1.00 0.00 O ATOM 0 H GLY A 10 0.917 5.461 6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.529 5.384 8.522 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.074 5.964 8.117 1.00 0.00 H new ATOM 150 N GLN A 11 -0.484 2.759 7.768 1.00 0.00 N ATOM 151 CA GLN A 11 -0.960 1.426 8.098 1.00 0.00 C ATOM 152 C GLN A 11 -0.367 0.966 9.430 1.00 0.00 C ATOM 153 O GLN A 11 0.580 1.568 9.933 1.00 0.00 O ATOM 154 CB GLN A 11 -0.634 0.435 6.979 1.00 0.00 C ATOM 155 CG GLN A 11 0.555 -0.450 7.362 1.00 0.00 C ATOM 156 CD GLN A 11 0.928 -1.393 6.216 1.00 0.00 C ATOM 157 OE1 GLN A 11 -0.112 -2.007 5.661 1.00 0.00 O flip ATOM 158 NE2 GLN A 11 2.084 -1.550 5.859 1.00 0.00 N flip ATOM 0 H GLN A 11 0.226 2.789 7.036 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.045 1.463 8.200 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.505 -0.188 6.774 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.408 0.978 6.061 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.411 0.175 7.617 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.309 -1.031 8.251 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.836 -1.046 6.329 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.299 -2.185 5.090 1.00 0.00 H new ATOM 167 N GLN A 12 -0.948 -0.098 9.964 1.00 0.00 N ATOM 168 CA GLN A 12 -0.489 -0.646 11.230 1.00 0.00 C ATOM 169 C GLN A 12 -0.332 -2.165 11.124 1.00 0.00 C ATOM 170 O GLN A 12 0.096 -2.816 12.076 1.00 0.00 O ATOM 171 CB GLN A 12 -1.441 -0.270 12.368 1.00 0.00 C ATOM 172 CG GLN A 12 -0.663 0.087 13.637 1.00 0.00 C ATOM 173 CD GLN A 12 -1.613 0.498 14.763 1.00 0.00 C ATOM 174 OE1 GLN A 12 -2.808 0.654 14.576 1.00 0.00 O ATOM 175 NE2 GLN A 12 -1.015 0.667 15.940 1.00 0.00 N ATOM 0 H GLN A 12 -1.733 -0.596 9.543 1.00 0.00 H new ATOM 0 HA GLN A 12 0.485 -0.215 11.459 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.059 0.575 12.066 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -2.116 -1.101 12.572 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.065 -0.767 13.954 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.031 0.901 13.426 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.009 0.520 16.027 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.562 0.944 16.755 1.00 0.00 H new ATOM 184 N VAL A 13 -0.688 -2.685 9.958 1.00 0.00 N ATOM 185 CA VAL A 13 -0.593 -4.114 9.716 1.00 0.00 C ATOM 186 C VAL A 13 0.257 -4.360 8.468 1.00 0.00 C ATOM 187 O VAL A 13 0.356 -3.494 7.600 1.00 0.00 O ATOM 188 CB VAL A 13 -1.994 -4.724 9.617 1.00 0.00 C ATOM 189 CG1 VAL A 13 -2.182 -5.836 10.649 1.00 0.00 C ATOM 190 CG2 VAL A 13 -3.071 -3.648 9.766 1.00 0.00 C ATOM 0 H VAL A 13 -1.043 -2.142 9.171 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.097 -4.610 10.550 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.098 -5.167 8.627 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.185 -6.252 10.557 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.446 -6.621 10.476 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.049 -5.429 11.651 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.057 -4.107 9.692 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.969 -3.163 10.737 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.956 -2.906 8.976 1.00 0.00 H new ATOM 200 N PRO A 14 0.861 -5.577 8.414 1.00 0.00 N ATOM 201 CA PRO A 14 1.699 -5.948 7.287 1.00 0.00 C ATOM 202 C PRO A 14 0.848 -6.278 6.058 1.00 0.00 C ATOM 203 O PRO A 14 -0.373 -6.391 6.156 1.00 0.00 O ATOM 204 CB PRO A 14 2.519 -7.128 7.776 1.00 0.00 C ATOM 205 CG PRO A 14 1.785 -7.669 8.993 1.00 0.00 C ATOM 206 CD PRO A 14 0.765 -6.628 9.423 1.00 0.00 C ATOM 0 HA PRO A 14 2.351 -5.137 6.962 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.607 -7.890 7.002 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.532 -6.819 8.036 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.291 -8.611 8.754 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.486 -7.873 9.802 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.239 -7.050 9.461 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.987 -6.243 10.418 1.00 0.00 H new ATOM 214 N CYS A 15 1.527 -6.425 4.930 1.00 0.00 N ATOM 215 CA CYS A 15 0.850 -6.740 3.684 1.00 0.00 C ATOM 216 C CYS A 15 0.782 -8.262 3.546 1.00 0.00 C ATOM 217 O CYS A 15 1.813 -8.928 3.460 1.00 0.00 O ATOM 218 CB CYS A 15 1.540 -6.088 2.483 1.00 0.00 C ATOM 219 SG CYS A 15 0.465 -5.839 1.023 1.00 0.00 S ATOM 0 H CYS A 15 2.540 -6.332 4.853 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.161 -6.332 3.704 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.939 -5.122 2.792 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.389 -6.705 2.190 1.00 0.00 H new ATOM 224 N CYS A 16 -0.441 -8.770 3.529 1.00 0.00 N ATOM 225 CA CYS A 16 -0.657 -10.201 3.402 1.00 0.00 C ATOM 226 C CYS A 16 0.133 -10.700 2.192 1.00 0.00 C ATOM 227 O CYS A 16 0.572 -11.849 2.162 1.00 0.00 O ATOM 228 CB CYS A 16 -2.144 -10.542 3.295 1.00 0.00 C ATOM 229 SG CYS A 16 -2.877 -11.269 4.805 1.00 0.00 S ATOM 0 H CYS A 16 -1.294 -8.215 3.601 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.301 -10.706 4.300 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.693 -9.635 3.043 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.284 -11.239 2.469 1.00 0.00 H new ATOM 234 N ASP A 17 0.290 -9.813 1.219 1.00 0.00 N ATOM 235 CA ASP A 17 1.018 -10.149 0.010 1.00 0.00 C ATOM 236 C ASP A 17 2.506 -9.856 0.216 1.00 0.00 C ATOM 237 O ASP A 17 2.894 -8.707 0.419 1.00 0.00 O ATOM 238 CB ASP A 17 0.533 -9.313 -1.176 1.00 0.00 C ATOM 239 CG ASP A 17 -0.705 -9.860 -1.891 1.00 0.00 C ATOM 240 OD1 ASP A 17 -1.539 -10.473 -1.189 1.00 0.00 O ATOM 241 OD2 ASP A 17 -0.789 -9.654 -3.120 1.00 0.00 O ATOM 0 H ASP A 17 -0.076 -8.861 1.245 1.00 0.00 H new ATOM 0 HA ASP A 17 0.851 -11.205 -0.200 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.315 -8.304 -0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.345 -9.231 -1.899 1.00 0.00 H new ATOM 246 N PRO A 18 3.319 -10.945 0.158 1.00 0.00 N ATOM 247 CA PRO A 18 4.755 -10.816 0.337 1.00 0.00 C ATOM 248 C PRO A 18 5.411 -10.216 -0.908 1.00 0.00 C ATOM 249 O PRO A 18 6.454 -9.569 -0.814 1.00 0.00 O ATOM 250 CB PRO A 18 5.241 -12.223 0.644 1.00 0.00 C ATOM 251 CG PRO A 18 4.140 -13.158 0.169 1.00 0.00 C ATOM 252 CD PRO A 18 2.895 -12.322 -0.080 1.00 0.00 C ATOM 0 HA PRO A 18 5.018 -10.133 1.144 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.180 -12.433 0.131 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.426 -12.348 1.711 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.443 -13.673 -0.743 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.941 -13.925 0.917 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.527 -12.453 -1.098 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.085 -12.608 0.591 1.00 0.00 H new ATOM 260 N ALA A 19 4.774 -10.451 -2.046 1.00 0.00 N ATOM 261 CA ALA A 19 5.282 -9.940 -3.308 1.00 0.00 C ATOM 262 C ALA A 19 4.799 -8.502 -3.505 1.00 0.00 C ATOM 263 O ALA A 19 5.010 -7.912 -4.562 1.00 0.00 O ATOM 264 CB ALA A 19 4.845 -10.864 -4.445 1.00 0.00 C ATOM 0 H ALA A 19 3.910 -10.989 -2.120 1.00 0.00 H new ATOM 0 HA ALA A 19 6.372 -9.922 -3.303 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.226 -10.481 -5.392 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.241 -11.865 -4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.756 -10.906 -4.482 1.00 0.00 H new ATOM 270 N ALA A 20 4.157 -7.981 -2.469 1.00 0.00 N ATOM 271 CA ALA A 20 3.641 -6.623 -2.514 1.00 0.00 C ATOM 272 C ALA A 20 4.745 -5.648 -2.101 1.00 0.00 C ATOM 273 O ALA A 20 5.764 -6.057 -1.547 1.00 0.00 O ATOM 274 CB ALA A 20 2.404 -6.517 -1.619 1.00 0.00 C ATOM 0 H ALA A 20 3.983 -8.475 -1.594 1.00 0.00 H new ATOM 0 HA ALA A 20 3.334 -6.363 -3.527 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.017 -5.499 -1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.639 -7.208 -1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.674 -6.769 -0.593 1.00 0.00 H new ATOM 280 N THR A 21 4.505 -4.378 -2.388 1.00 0.00 N ATOM 281 CA THR A 21 5.466 -3.341 -2.053 1.00 0.00 C ATOM 282 C THR A 21 4.745 -2.050 -1.661 1.00 0.00 C ATOM 283 O THR A 21 4.112 -1.410 -2.499 1.00 0.00 O ATOM 284 CB THR A 21 6.412 -3.170 -3.243 1.00 0.00 C ATOM 285 OG1 THR A 21 5.762 -3.863 -4.305 1.00 0.00 O ATOM 286 CG2 THR A 21 7.730 -3.927 -3.057 1.00 0.00 C ATOM 0 H THR A 21 3.659 -4.043 -2.849 1.00 0.00 H new ATOM 0 HA THR A 21 6.061 -3.621 -1.183 1.00 0.00 H new ATOM 0 HB THR A 21 6.619 -2.110 -3.392 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.849 -3.522 -4.407 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.365 -3.772 -3.930 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.240 -3.557 -2.167 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.525 -4.991 -2.942 1.00 0.00 H new ATOM 294 N CYS A 22 4.864 -1.706 -0.387 1.00 0.00 N ATOM 295 CA CYS A 22 4.230 -0.503 0.126 1.00 0.00 C ATOM 296 C CYS A 22 4.806 0.700 -0.625 1.00 0.00 C ATOM 297 O CYS A 22 5.743 1.340 -0.152 1.00 0.00 O ATOM 298 CB CYS A 22 4.410 -0.371 1.639 1.00 0.00 C ATOM 299 SG CYS A 22 3.558 1.063 2.391 1.00 0.00 S ATOM 0 H CYS A 22 5.390 -2.239 0.305 1.00 0.00 H new ATOM 0 HA CYS A 22 3.154 -0.554 -0.042 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.047 -1.282 2.115 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.475 -0.299 1.859 1.00 0.00 H new ATOM 304 N TYR A 23 4.220 0.971 -1.781 1.00 0.00 N ATOM 305 CA TYR A 23 4.661 2.086 -2.601 1.00 0.00 C ATOM 306 C TYR A 23 3.603 3.192 -2.641 1.00 0.00 C ATOM 307 O TYR A 23 2.407 2.913 -2.589 1.00 0.00 O ATOM 308 CB TYR A 23 4.847 1.524 -4.013 1.00 0.00 C ATOM 309 CG TYR A 23 5.718 2.396 -4.919 1.00 0.00 C ATOM 310 CD1 TYR A 23 6.967 2.800 -4.497 1.00 0.00 C ATOM 311 CD2 TYR A 23 5.252 2.778 -6.161 1.00 0.00 C ATOM 312 CE1 TYR A 23 7.786 3.620 -5.351 1.00 0.00 C ATOM 313 CE2 TYR A 23 6.071 3.598 -7.016 1.00 0.00 C ATOM 314 CZ TYR A 23 7.298 3.979 -6.568 1.00 0.00 C ATOM 315 OH TYR A 23 8.072 4.753 -7.375 1.00 0.00 O ATOM 0 H TYR A 23 3.443 0.437 -2.170 1.00 0.00 H new ATOM 0 HA TYR A 23 5.577 2.518 -2.198 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.293 0.532 -3.942 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.868 1.401 -4.476 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.331 2.501 -3.525 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.274 2.462 -6.491 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.766 3.943 -5.032 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.719 3.903 -7.990 1.00 0.00 H new ATOM 0 HH TYR A 23 7.596 4.930 -8.213 1.00 0.00 H new ATOM 325 N CYS A 24 4.085 4.424 -2.730 1.00 0.00 N ATOM 326 CA CYS A 24 3.197 5.572 -2.776 1.00 0.00 C ATOM 327 C CYS A 24 3.555 6.408 -4.005 1.00 0.00 C ATOM 328 O CYS A 24 4.718 6.758 -4.205 1.00 0.00 O ATOM 329 CB CYS A 24 3.267 6.394 -1.487 1.00 0.00 C ATOM 330 SG CYS A 24 3.981 5.511 -0.052 1.00 0.00 S ATOM 0 H CYS A 24 5.079 4.651 -2.771 1.00 0.00 H new ATOM 0 HA CYS A 24 2.164 5.232 -2.857 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.859 7.290 -1.676 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.261 6.725 -1.229 1.00 0.00 H new ATOM 335 N ARG A 25 2.535 6.704 -4.798 1.00 0.00 N ATOM 336 CA ARG A 25 2.729 7.492 -6.004 1.00 0.00 C ATOM 337 C ARG A 25 3.197 8.904 -5.646 1.00 0.00 C ATOM 338 O ARG A 25 4.295 9.312 -6.019 1.00 0.00 O ATOM 339 CB ARG A 25 1.437 7.581 -6.817 1.00 0.00 C ATOM 340 CG ARG A 25 1.498 8.737 -7.818 1.00 0.00 C ATOM 341 CD ARG A 25 2.808 8.712 -8.606 1.00 0.00 C ATOM 342 NE ARG A 25 3.170 7.316 -8.942 1.00 0.00 N ATOM 343 CZ ARG A 25 3.884 6.964 -10.019 1.00 0.00 C ATOM 344 NH1 ARG A 25 4.317 7.902 -10.872 1.00 0.00 N ATOM 345 NH2 ARG A 25 4.165 5.673 -10.244 1.00 0.00 N ATOM 0 H ARG A 25 1.572 6.412 -4.629 1.00 0.00 H new ATOM 0 HA ARG A 25 3.490 6.995 -6.606 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.272 6.644 -7.348 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.590 7.721 -6.146 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.655 8.672 -8.506 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.406 9.686 -7.289 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.704 9.299 -9.518 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.604 9.172 -8.020 1.00 0.00 H new ATOM 0 HE ARG A 25 2.856 6.576 -8.314 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.103 8.885 -10.701 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.861 7.634 -11.692 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.835 4.959 -9.595 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.709 5.405 -11.064 1.00 0.00 H new ATOM 359 N PHE A 26 2.338 9.611 -4.926 1.00 0.00 N ATOM 360 CA PHE A 26 2.650 10.970 -4.513 1.00 0.00 C ATOM 361 C PHE A 26 3.580 10.973 -3.298 1.00 0.00 C ATOM 362 O PHE A 26 4.324 10.019 -3.078 1.00 0.00 O ATOM 363 CB PHE A 26 1.327 11.635 -4.130 1.00 0.00 C ATOM 364 CG PHE A 26 1.213 13.095 -4.574 1.00 0.00 C ATOM 365 CD1 PHE A 26 2.336 13.840 -4.754 1.00 0.00 C ATOM 366 CD2 PHE A 26 -0.013 13.647 -4.789 1.00 0.00 C ATOM 367 CE1 PHE A 26 2.229 15.195 -5.166 1.00 0.00 C ATOM 368 CE2 PHE A 26 -0.117 15.001 -5.201 1.00 0.00 C ATOM 369 CZ PHE A 26 1.005 15.746 -5.382 1.00 0.00 C ATOM 0 H PHE A 26 1.427 9.269 -4.618 1.00 0.00 H new ATOM 0 HA PHE A 26 3.152 11.500 -5.322 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.506 11.067 -4.569 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.207 11.585 -3.048 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.308 13.402 -4.584 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.905 13.055 -4.646 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.120 15.788 -5.308 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.089 15.440 -5.371 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.924 16.776 -5.697 1.00 0.00 H new ATOM 379 N PHE A 27 3.506 12.058 -2.540 1.00 0.00 N ATOM 380 CA PHE A 27 4.332 12.199 -1.353 1.00 0.00 C ATOM 381 C PHE A 27 3.777 11.365 -0.197 1.00 0.00 C ATOM 382 O PHE A 27 4.465 10.494 0.333 1.00 0.00 O ATOM 383 CB PHE A 27 4.302 13.678 -0.960 1.00 0.00 C ATOM 384 CG PHE A 27 5.643 14.214 -0.456 1.00 0.00 C ATOM 385 CD1 PHE A 27 6.764 14.057 -1.208 1.00 0.00 C ATOM 386 CD2 PHE A 27 5.713 14.848 0.746 1.00 0.00 C ATOM 387 CE1 PHE A 27 8.010 14.556 -0.741 1.00 0.00 C ATOM 388 CE2 PHE A 27 6.958 15.347 1.214 1.00 0.00 C ATOM 389 CZ PHE A 27 8.079 15.190 0.459 1.00 0.00 C ATOM 0 H PHE A 27 2.887 12.847 -2.725 1.00 0.00 H new ATOM 0 HA PHE A 27 5.345 11.854 -1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.988 14.266 -1.822 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.550 13.822 -0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.708 13.553 -2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 27 4.822 14.972 1.344 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.901 14.432 -1.339 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.015 15.850 2.168 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.026 15.570 0.814 1.00 0.00 H new ATOM 399 N ASN A 28 2.536 11.662 0.162 1.00 0.00 N ATOM 400 CA ASN A 28 1.879 10.950 1.246 1.00 0.00 C ATOM 401 C ASN A 28 0.383 10.845 0.949 1.00 0.00 C ATOM 402 O ASN A 28 -0.433 10.787 1.866 1.00 0.00 O ATOM 403 CB ASN A 28 2.047 11.693 2.573 1.00 0.00 C ATOM 404 CG ASN A 28 2.229 10.711 3.732 1.00 0.00 C ATOM 405 OD1 ASN A 28 3.333 10.346 4.104 1.00 0.00 O ATOM 406 ND2 ASN A 28 1.088 10.304 4.282 1.00 0.00 N ATOM 0 H ASN A 28 1.968 12.386 -0.278 1.00 0.00 H new ATOM 0 HA ASN A 28 2.333 9.962 1.325 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.909 12.357 2.515 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.174 12.320 2.756 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.104 9.648 5.063 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.197 10.648 3.923 1.00 0.00 H new ATOM 413 N ALA A 29 0.068 10.821 -0.338 1.00 0.00 N ATOM 414 CA ALA A 29 -1.316 10.723 -0.768 1.00 0.00 C ATOM 415 C ALA A 29 -1.652 9.258 -1.061 1.00 0.00 C ATOM 416 O ALA A 29 -2.181 8.555 -0.202 1.00 0.00 O ATOM 417 CB ALA A 29 -1.539 11.626 -1.982 1.00 0.00 C ATOM 0 H ALA A 29 0.748 10.868 -1.097 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.988 11.065 0.020 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.578 11.552 -2.304 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.315 12.658 -1.714 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.884 11.312 -2.794 1.00 0.00 H new ATOM 423 N PHE A 30 -1.332 8.843 -2.278 1.00 0.00 N ATOM 424 CA PHE A 30 -1.592 7.476 -2.695 1.00 0.00 C ATOM 425 C PHE A 30 -0.459 6.544 -2.259 1.00 0.00 C ATOM 426 O PHE A 30 0.671 6.675 -2.726 1.00 0.00 O ATOM 427 CB PHE A 30 -1.674 7.482 -4.222 1.00 0.00 C ATOM 428 CG PHE A 30 -3.060 7.828 -4.770 1.00 0.00 C ATOM 429 CD1 PHE A 30 -4.172 7.299 -4.193 1.00 0.00 C ATOM 430 CD2 PHE A 30 -3.180 8.664 -5.836 1.00 0.00 C ATOM 431 CE1 PHE A 30 -5.459 7.620 -4.701 1.00 0.00 C ATOM 432 CE2 PHE A 30 -4.467 8.984 -6.346 1.00 0.00 C ATOM 433 CZ PHE A 30 -5.578 8.455 -5.768 1.00 0.00 C ATOM 0 H PHE A 30 -0.895 9.430 -2.989 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.515 7.118 -2.240 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.951 8.199 -4.611 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.382 6.500 -4.595 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.076 6.634 -3.347 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.297 9.085 -6.295 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.342 7.202 -4.241 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.563 9.647 -7.193 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.556 8.698 -6.156 1.00 0.00 H new ATOM 443 N CYS A 31 -0.802 5.624 -1.371 1.00 0.00 N ATOM 444 CA CYS A 31 0.171 4.670 -0.867 1.00 0.00 C ATOM 445 C CYS A 31 -0.549 3.349 -0.589 1.00 0.00 C ATOM 446 O CYS A 31 -1.450 3.294 0.245 1.00 0.00 O ATOM 447 CB CYS A 31 0.892 5.199 0.374 1.00 0.00 C ATOM 448 SG CYS A 31 2.522 4.433 0.701 1.00 0.00 S ATOM 0 H CYS A 31 -1.741 5.518 -0.987 1.00 0.00 H new ATOM 0 HA CYS A 31 0.946 4.509 -1.616 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.027 6.275 0.267 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.252 5.043 1.243 1.00 0.00 H new ATOM 453 N TYR A 32 -0.124 2.318 -1.304 1.00 0.00 N ATOM 454 CA TYR A 32 -0.716 1.002 -1.145 1.00 0.00 C ATOM 455 C TYR A 32 0.320 -0.099 -1.382 1.00 0.00 C ATOM 456 O TYR A 32 1.520 0.168 -1.402 1.00 0.00 O ATOM 457 CB TYR A 32 -1.807 0.898 -2.214 1.00 0.00 C ATOM 458 CG TYR A 32 -1.743 1.996 -3.275 1.00 0.00 C ATOM 459 CD1 TYR A 32 -2.372 3.205 -3.058 1.00 0.00 C ATOM 460 CD2 TYR A 32 -1.056 1.778 -4.453 1.00 0.00 C ATOM 461 CE1 TYR A 32 -2.311 4.239 -4.057 1.00 0.00 C ATOM 462 CE2 TYR A 32 -0.996 2.813 -5.453 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.626 3.992 -5.207 1.00 0.00 C ATOM 464 OH TYR A 32 -1.570 4.969 -6.152 1.00 0.00 O ATOM 0 H TYR A 32 0.624 2.368 -1.995 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.106 0.877 -0.135 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.730 -0.072 -2.705 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.782 0.933 -1.728 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.911 3.375 -2.138 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.564 0.832 -4.624 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.798 5.190 -3.898 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.462 2.656 -6.378 1.00 0.00 H new ATOM 0 HH TYR A 32 -1.047 4.653 -6.918 1.00 0.00 H new ATOM 474 N CYS A 33 -0.183 -1.313 -1.555 1.00 0.00 N ATOM 475 CA CYS A 33 0.686 -2.455 -1.789 1.00 0.00 C ATOM 476 C CYS A 33 0.713 -2.736 -3.293 1.00 0.00 C ATOM 477 O CYS A 33 -0.291 -3.150 -3.869 1.00 0.00 O ATOM 478 CB CYS A 33 0.239 -3.680 -0.988 1.00 0.00 C ATOM 479 SG CYS A 33 0.941 -3.791 0.698 1.00 0.00 S ATOM 0 H CYS A 33 -1.179 -1.531 -1.538 1.00 0.00 H new ATOM 0 HA CYS A 33 1.694 -2.225 -1.444 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.848 -3.671 -0.914 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.514 -4.578 -1.541 1.00 0.00 H new ATOM 484 N ARG A 34 1.874 -2.501 -3.885 1.00 0.00 N ATOM 485 CA ARG A 34 2.046 -2.725 -5.311 1.00 0.00 C ATOM 486 C ARG A 34 2.624 -4.119 -5.564 1.00 0.00 C ATOM 487 O ARG A 34 3.476 -4.587 -4.811 1.00 0.00 O ATOM 488 CB ARG A 34 2.975 -1.675 -5.925 1.00 0.00 C ATOM 489 CG ARG A 34 3.085 -1.859 -7.439 1.00 0.00 C ATOM 490 CD ARG A 34 4.503 -1.549 -7.928 1.00 0.00 C ATOM 491 NE ARG A 34 5.045 -2.707 -8.674 1.00 0.00 N ATOM 492 CZ ARG A 34 5.309 -3.900 -8.122 1.00 0.00 C ATOM 493 NH1 ARG A 34 5.079 -4.099 -6.816 1.00 0.00 N ATOM 494 NH2 ARG A 34 5.800 -4.892 -8.875 1.00 0.00 N ATOM 0 H ARG A 34 2.705 -2.158 -3.404 1.00 0.00 H new ATOM 0 HA ARG A 34 1.065 -2.645 -5.780 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.598 -0.677 -5.703 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.964 -1.750 -5.473 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.820 -2.882 -7.705 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.372 -1.205 -7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.491 -0.667 -8.568 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.147 -1.319 -7.079 1.00 0.00 H new ATOM 0 HE ARG A 34 5.229 -2.590 -9.670 1.00 0.00 H new ATOM 0 HH11 ARG A 34 4.703 -3.343 -6.243 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.280 -5.006 -6.395 1.00 0.00 H new ATOM 0 HH21 ARG A 34 5.973 -4.740 -9.869 1.00 0.00 H new ATOM 0 HH22 ARG A 34 6.001 -5.800 -8.455 1.00 0.00 H new