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+ -132:sc= 0.213 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.2) USER MOD Single : A 7 SER OG : rot -160:sc= -0.0094 USER MOD Single : A 11 GLN : amide:sc= -4.78! C(o=-4.8!,f=-12!) USER MOD Single : A 12 GLN : amide:sc= -0.0275 X(o=-0.028,f=-0.26) 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= -0.139 K(o=-0.14,f=-0.87) USER MOD Single : A 32 TYR OH : rot -171:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -3.949 -7.801 8.317 1.00 0.00 N ATOM 2 CA CYS A 1 -2.972 -7.574 7.267 1.00 0.00 C ATOM 3 C CYS A 1 -3.554 -6.564 6.277 1.00 0.00 C ATOM 4 O CYS A 1 -4.617 -5.993 6.521 1.00 0.00 O ATOM 5 CB CYS A 1 -2.568 -8.880 6.578 1.00 0.00 C ATOM 6 SG CYS A 1 -3.942 -9.774 5.761 1.00 0.00 S ATOM 0 H1 CYS A 1 -3.484 -7.732 9.245 1.00 0.00 H new ATOM 0 H2 CYS A 1 -4.701 -7.085 8.252 1.00 0.00 H new ATOM 0 H3 CYS A 1 -4.363 -8.749 8.207 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.057 -7.170 7.701 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.803 -8.660 5.834 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -2.113 -9.539 7.318 1.00 0.00 H new ATOM 11 N VAL A 2 -2.833 -6.372 5.182 1.00 0.00 N ATOM 12 CA VAL A 2 -3.265 -5.440 4.154 1.00 0.00 C ATOM 13 C VAL A 2 -3.112 -6.095 2.780 1.00 0.00 C ATOM 14 O VAL A 2 -2.115 -6.765 2.516 1.00 0.00 O ATOM 15 CB VAL A 2 -2.492 -4.127 4.281 1.00 0.00 C ATOM 16 CG1 VAL A 2 -2.227 -3.511 2.905 1.00 0.00 C ATOM 17 CG2 VAL A 2 -3.229 -3.141 5.190 1.00 0.00 C ATOM 0 H VAL A 2 -1.952 -6.846 4.984 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.319 -5.194 4.280 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.529 -4.349 4.740 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.676 -2.578 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.640 -4.205 2.303 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.176 -3.311 2.407 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.657 -2.216 5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.213 -2.927 4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.342 -3.576 6.183 1.00 0.00 H new ATOM 27 N ARG A 3 -4.114 -5.878 1.942 1.00 0.00 N ATOM 28 CA ARG A 3 -4.102 -6.438 0.601 1.00 0.00 C ATOM 29 C ARG A 3 -3.263 -5.564 -0.333 1.00 0.00 C ATOM 30 O ARG A 3 -2.818 -4.484 0.054 1.00 0.00 O ATOM 31 CB ARG A 3 -5.521 -6.555 0.041 1.00 0.00 C ATOM 32 CG ARG A 3 -6.294 -7.680 0.733 1.00 0.00 C ATOM 33 CD ARG A 3 -6.055 -9.020 0.033 1.00 0.00 C ATOM 34 NE ARG A 3 -4.696 -9.518 0.341 1.00 0.00 N ATOM 35 CZ ARG A 3 -4.007 -10.357 -0.445 1.00 0.00 C ATOM 36 NH1 ARG A 3 -4.546 -10.797 -1.590 1.00 0.00 N ATOM 37 NH2 ARG A 3 -2.780 -10.757 -0.086 1.00 0.00 N ATOM 0 H ARG A 3 -4.940 -5.322 2.165 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.664 -7.434 0.662 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.048 -5.610 0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.478 -6.745 -1.031 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.985 -7.750 1.776 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.359 -7.449 0.731 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.800 -9.747 0.358 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.173 -8.903 -1.044 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.256 -9.203 1.206 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.481 -10.493 -1.863 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.022 -11.435 -2.188 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -2.370 -10.423 0.786 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.256 -11.396 -0.685 1.00 0.00 H new ATOM 51 N LEU A 4 -3.072 -6.062 -1.546 1.00 0.00 N ATOM 52 CA LEU A 4 -2.294 -5.340 -2.538 1.00 0.00 C ATOM 53 C LEU A 4 -3.010 -4.034 -2.889 1.00 0.00 C ATOM 54 O LEU A 4 -2.398 -2.967 -2.885 1.00 0.00 O ATOM 55 CB LEU A 4 -2.011 -6.231 -3.749 1.00 0.00 C ATOM 56 CG LEU A 4 -0.691 -5.972 -4.479 1.00 0.00 C ATOM 57 CD1 LEU A 4 0.068 -7.279 -4.720 1.00 0.00 C ATOM 58 CD2 LEU A 4 -0.925 -5.197 -5.777 1.00 0.00 C ATOM 0 H LEU A 4 -3.443 -6.957 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.318 -5.071 -2.135 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.024 -7.270 -3.421 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.827 -6.111 -4.462 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.064 -5.349 -3.841 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.002 -7.067 -5.240 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.285 -7.755 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.542 -7.947 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.029 -5.026 -6.276 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.579 -5.773 -6.432 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.392 -4.239 -5.549 1.00 0.00 H new ATOM 70 N HIS A 5 -4.295 -4.161 -3.184 1.00 0.00 N ATOM 71 CA HIS A 5 -5.101 -3.005 -3.537 1.00 0.00 C ATOM 72 C HIS A 5 -5.654 -2.358 -2.266 1.00 0.00 C ATOM 73 O HIS A 5 -6.835 -2.017 -2.201 1.00 0.00 O ATOM 74 CB HIS A 5 -6.196 -3.388 -4.532 1.00 0.00 C ATOM 75 CG HIS A 5 -6.954 -2.211 -5.098 1.00 0.00 C ATOM 76 ND1 HIS A 5 -8.268 -2.298 -5.523 1.00 0.00 N ATOM 77 CD2 HIS A 5 -6.568 -0.918 -5.301 1.00 0.00 C ATOM 78 CE1 HIS A 5 -8.645 -1.107 -5.962 1.00 0.00 C ATOM 79 NE2 HIS A 5 -7.590 -0.253 -5.824 1.00 0.00 N ATOM 0 H HIS A 5 -4.799 -5.048 -3.186 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.479 -2.264 -4.040 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -5.747 -3.946 -5.353 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -6.901 -4.058 -4.040 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.596 -0.506 -5.074 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -9.617 -0.856 -6.360 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -7.587 0.734 -6.081 1.00 0.00 H new ATOM 88 N GLU A 6 -4.776 -2.209 -1.285 1.00 0.00 N ATOM 89 CA GLU A 6 -5.163 -1.611 -0.018 1.00 0.00 C ATOM 90 C GLU A 6 -4.075 -0.650 0.467 1.00 0.00 C ATOM 91 O GLU A 6 -3.023 -1.081 0.934 1.00 0.00 O ATOM 92 CB GLU A 6 -5.453 -2.685 1.031 1.00 0.00 C ATOM 93 CG GLU A 6 -6.862 -3.256 0.855 1.00 0.00 C ATOM 94 CD GLU A 6 -7.247 -4.139 2.043 1.00 0.00 C ATOM 95 OE1 GLU A 6 -6.914 -3.739 3.181 1.00 0.00 O ATOM 96 OE2 GLU A 6 -7.866 -5.194 1.789 1.00 0.00 O ATOM 0 H GLU A 6 -3.798 -2.492 -1.342 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.081 -1.044 -0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.719 -3.487 0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.351 -2.260 2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.579 -2.441 0.756 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.910 -3.837 -0.066 1.00 0.00 H new ATOM 103 N SER A 7 -4.367 0.636 0.340 1.00 0.00 N ATOM 104 CA SER A 7 -3.428 1.663 0.760 1.00 0.00 C ATOM 105 C SER A 7 -2.773 1.261 2.083 1.00 0.00 C ATOM 106 O SER A 7 -3.381 0.568 2.897 1.00 0.00 O ATOM 107 CB SER A 7 -4.120 3.019 0.900 1.00 0.00 C ATOM 108 OG SER A 7 -3.618 3.764 2.007 1.00 0.00 O ATOM 0 H SER A 7 -5.241 0.991 -0.048 1.00 0.00 H new ATOM 0 HA SER A 7 -2.658 1.757 -0.006 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.981 3.593 -0.016 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.193 2.868 1.022 1.00 0.00 H new ATOM 0 HG SER A 7 -4.268 4.452 2.260 1.00 0.00 H new ATOM 114 N CYS A 8 -1.540 1.716 2.258 1.00 0.00 N ATOM 115 CA CYS A 8 -0.796 1.414 3.468 1.00 0.00 C ATOM 116 C CYS A 8 -0.445 2.732 4.159 1.00 0.00 C ATOM 117 O CYS A 8 0.175 2.735 5.222 1.00 0.00 O ATOM 118 CB CYS A 8 0.449 0.574 3.174 1.00 0.00 C ATOM 119 SG CYS A 8 0.985 0.587 1.423 1.00 0.00 S ATOM 0 H CYS A 8 -1.039 2.291 1.581 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.412 0.809 4.133 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.269 0.936 3.794 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.254 -0.456 3.473 1.00 0.00 H new ATOM 124 N LEU A 9 -0.854 3.822 3.526 1.00 0.00 N ATOM 125 CA LEU A 9 -0.590 5.144 4.066 1.00 0.00 C ATOM 126 C LEU A 9 -1.150 5.232 5.487 1.00 0.00 C ATOM 127 O LEU A 9 -2.332 5.514 5.676 1.00 0.00 O ATOM 128 CB LEU A 9 -1.130 6.224 3.125 1.00 0.00 C ATOM 129 CG LEU A 9 -2.608 6.579 3.289 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.796 7.674 4.342 1.00 0.00 C ATOM 131 CD2 LEU A 9 -3.232 6.964 1.946 1.00 0.00 C ATOM 0 H LEU A 9 -1.366 3.816 2.644 1.00 0.00 H new ATOM 0 HA LEU A 9 0.484 5.320 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.541 7.130 3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.967 5.897 2.098 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.133 5.694 3.647 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.856 7.908 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.412 7.326 5.301 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.254 8.569 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.283 7.212 2.091 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.709 7.828 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.149 6.127 1.253 1.00 0.00 H new ATOM 143 N GLY A 10 -0.274 4.986 6.449 1.00 0.00 N ATOM 144 CA GLY A 10 -0.666 5.032 7.849 1.00 0.00 C ATOM 145 C GLY A 10 -1.073 3.646 8.350 1.00 0.00 C ATOM 146 O GLY A 10 -1.770 3.526 9.357 1.00 0.00 O ATOM 0 H GLY A 10 0.706 4.754 6.288 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.161 5.411 8.450 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.497 5.727 7.975 1.00 0.00 H new ATOM 150 N GLN A 11 -0.620 2.633 7.627 1.00 0.00 N ATOM 151 CA GLN A 11 -0.927 1.259 7.986 1.00 0.00 C ATOM 152 C GLN A 11 -0.097 0.827 9.197 1.00 0.00 C ATOM 153 O GLN A 11 0.945 1.417 9.481 1.00 0.00 O ATOM 154 CB GLN A 11 -0.700 0.318 6.802 1.00 0.00 C ATOM 155 CG GLN A 11 0.059 -0.937 7.238 1.00 0.00 C ATOM 156 CD GLN A 11 1.519 -0.612 7.561 1.00 0.00 C ATOM 157 OE1 GLN A 11 1.959 -0.675 8.698 1.00 0.00 O ATOM 158 NE2 GLN A 11 2.242 -0.260 6.502 1.00 0.00 N ATOM 0 H GLN A 11 -0.042 2.736 6.793 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.982 1.203 8.255 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.659 0.035 6.368 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.139 0.835 6.024 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -0.423 -1.371 8.114 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.016 -1.685 6.447 1.00 0.00 H new ATOM 0 HE21 GLN A 11 1.811 -0.228 5.578 1.00 0.00 H new ATOM 0 HE22 GLN A 11 3.228 -0.022 6.614 1.00 0.00 H new ATOM 167 N GLN A 12 -0.589 -0.196 9.878 1.00 0.00 N ATOM 168 CA GLN A 12 0.095 -0.713 11.051 1.00 0.00 C ATOM 169 C GLN A 12 0.296 -2.224 10.926 1.00 0.00 C ATOM 170 O GLN A 12 1.154 -2.798 11.596 1.00 0.00 O ATOM 171 CB GLN A 12 -0.671 -0.366 12.330 1.00 0.00 C ATOM 172 CG GLN A 12 0.145 0.574 13.219 1.00 0.00 C ATOM 173 CD GLN A 12 0.978 -0.214 14.232 1.00 0.00 C ATOM 174 OE1 GLN A 12 0.491 -1.092 14.925 1.00 0.00 O ATOM 175 NE2 GLN A 12 2.258 0.147 14.277 1.00 0.00 N ATOM 0 H GLN A 12 -1.454 -0.682 9.640 1.00 0.00 H new ATOM 0 HA GLN A 12 1.075 -0.240 11.113 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.621 0.103 12.073 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.904 -1.279 12.878 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.802 1.186 12.601 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.524 1.255 13.745 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.600 0.891 13.668 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.897 -0.320 14.920 1.00 0.00 H new ATOM 184 N VAL A 13 -0.508 -2.827 10.063 1.00 0.00 N ATOM 185 CA VAL A 13 -0.430 -4.260 9.841 1.00 0.00 C ATOM 186 C VAL A 13 0.355 -4.530 8.556 1.00 0.00 C ATOM 187 O VAL A 13 0.418 -3.678 7.672 1.00 0.00 O ATOM 188 CB VAL A 13 -1.836 -4.866 9.823 1.00 0.00 C ATOM 189 CG1 VAL A 13 -2.064 -5.756 11.045 1.00 0.00 C ATOM 190 CG2 VAL A 13 -2.901 -3.772 9.731 1.00 0.00 C ATOM 0 H VAL A 13 -1.218 -2.348 9.509 1.00 0.00 H new ATOM 0 HA VAL A 13 0.106 -4.744 10.657 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.922 -5.492 8.935 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.070 -6.174 11.008 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.334 -6.566 11.047 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.950 -5.164 11.953 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.891 -4.228 9.720 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.817 -3.109 10.592 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.755 -3.198 8.816 1.00 0.00 H new ATOM 200 N PRO A 14 0.949 -5.752 8.491 1.00 0.00 N ATOM 201 CA PRO A 14 1.727 -6.146 7.328 1.00 0.00 C ATOM 202 C PRO A 14 0.814 -6.489 6.148 1.00 0.00 C ATOM 203 O PRO A 14 -0.389 -6.672 6.323 1.00 0.00 O ATOM 204 CB PRO A 14 2.563 -7.326 7.795 1.00 0.00 C ATOM 205 CG PRO A 14 1.887 -7.843 9.055 1.00 0.00 C ATOM 206 CD PRO A 14 0.897 -6.788 9.518 1.00 0.00 C ATOM 0 HA PRO A 14 2.366 -5.344 6.958 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.607 -8.101 7.029 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.589 -7.021 7.999 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.376 -8.785 8.855 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.626 -8.040 9.832 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.107 -7.202 9.612 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.171 -6.390 10.495 1.00 0.00 H new ATOM 214 N CYS A 15 1.423 -6.564 4.974 1.00 0.00 N ATOM 215 CA CYS A 15 0.680 -6.880 3.766 1.00 0.00 C ATOM 216 C CYS A 15 0.603 -8.403 3.636 1.00 0.00 C ATOM 217 O CYS A 15 1.628 -9.083 3.634 1.00 0.00 O ATOM 218 CB CYS A 15 1.308 -6.233 2.530 1.00 0.00 C ATOM 219 SG CYS A 15 0.113 -5.707 1.249 1.00 0.00 S ATOM 0 H CYS A 15 2.422 -6.412 4.833 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.327 -6.470 3.837 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.886 -5.365 2.846 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.010 -6.938 2.085 1.00 0.00 H new ATOM 224 N CYS A 16 -0.623 -8.894 3.529 1.00 0.00 N ATOM 225 CA CYS A 16 -0.848 -10.325 3.397 1.00 0.00 C ATOM 226 C CYS A 16 -0.039 -10.830 2.201 1.00 0.00 C ATOM 227 O CYS A 16 0.377 -11.987 2.173 1.00 0.00 O ATOM 228 CB CYS A 16 -2.335 -10.653 3.261 1.00 0.00 C ATOM 229 SG CYS A 16 -3.119 -11.310 4.778 1.00 0.00 S ATOM 0 H CYS A 16 -1.471 -8.327 3.531 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.513 -10.834 4.301 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.865 -9.751 2.957 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.460 -11.381 2.460 1.00 0.00 H new ATOM 234 N ASP A 17 0.160 -9.939 1.242 1.00 0.00 N ATOM 235 CA ASP A 17 0.912 -10.280 0.046 1.00 0.00 C ATOM 236 C ASP A 17 2.406 -10.088 0.317 1.00 0.00 C ATOM 237 O ASP A 17 2.844 -8.985 0.639 1.00 0.00 O ATOM 238 CB ASP A 17 0.523 -9.378 -1.125 1.00 0.00 C ATOM 239 CG ASP A 17 -0.908 -9.560 -1.636 1.00 0.00 C ATOM 240 OD1 ASP A 17 -1.110 -10.504 -2.430 1.00 0.00 O ATOM 241 OD2 ASP A 17 -1.766 -8.753 -1.222 1.00 0.00 O ATOM 0 H ASP A 17 -0.187 -8.980 1.268 1.00 0.00 H new ATOM 0 HA ASP A 17 0.689 -11.316 -0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.655 -8.339 -0.823 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.213 -9.561 -1.949 1.00 0.00 H new ATOM 246 N PRO A 18 3.165 -11.206 0.171 1.00 0.00 N ATOM 247 CA PRO A 18 4.600 -11.171 0.393 1.00 0.00 C ATOM 248 C PRO A 18 5.320 -10.487 -0.770 1.00 0.00 C ATOM 249 O PRO A 18 6.358 -9.856 -0.578 1.00 0.00 O ATOM 250 CB PRO A 18 5.007 -12.625 0.572 1.00 0.00 C ATOM 251 CG PRO A 18 3.874 -13.449 -0.016 1.00 0.00 C ATOM 252 CD PRO A 18 2.679 -12.529 -0.211 1.00 0.00 C ATOM 0 HA PRO A 18 4.875 -10.584 1.269 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.947 -12.833 0.062 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.157 -12.862 1.625 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.176 -13.889 -0.966 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.616 -14.273 0.649 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.334 -12.541 -1.245 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.837 -12.836 0.409 1.00 0.00 H new ATOM 260 N ALA A 19 4.742 -10.638 -1.953 1.00 0.00 N ATOM 261 CA ALA A 19 5.315 -10.044 -3.149 1.00 0.00 C ATOM 262 C ALA A 19 4.675 -8.675 -3.388 1.00 0.00 C ATOM 263 O ALA A 19 4.465 -8.276 -4.532 1.00 0.00 O ATOM 264 CB ALA A 19 5.123 -10.994 -4.333 1.00 0.00 C ATOM 0 H ALA A 19 3.882 -11.164 -2.109 1.00 0.00 H new ATOM 0 HA ALA A 19 6.387 -9.890 -3.027 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.553 -10.549 -5.230 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.621 -11.941 -4.124 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.059 -11.170 -4.489 1.00 0.00 H new ATOM 270 N ALA A 20 4.386 -7.991 -2.291 1.00 0.00 N ATOM 271 CA ALA A 20 3.775 -6.675 -2.367 1.00 0.00 C ATOM 272 C ALA A 20 4.774 -5.626 -1.875 1.00 0.00 C ATOM 273 O ALA A 20 5.586 -5.901 -0.993 1.00 0.00 O ATOM 274 CB ALA A 20 2.475 -6.667 -1.560 1.00 0.00 C ATOM 0 H ALA A 20 4.564 -8.324 -1.343 1.00 0.00 H new ATOM 0 HA ALA A 20 3.519 -6.429 -3.398 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.017 -5.679 -1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.789 -7.409 -1.968 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.692 -6.907 -0.519 1.00 0.00 H new ATOM 280 N THR A 21 4.681 -4.444 -2.467 1.00 0.00 N ATOM 281 CA THR A 21 5.566 -3.352 -2.100 1.00 0.00 C ATOM 282 C THR A 21 4.766 -2.065 -1.889 1.00 0.00 C ATOM 283 O THR A 21 4.245 -1.488 -2.843 1.00 0.00 O ATOM 284 CB THR A 21 6.639 -3.228 -3.184 1.00 0.00 C ATOM 285 OG1 THR A 21 7.844 -3.608 -2.523 1.00 0.00 O ATOM 286 CG2 THR A 21 6.885 -1.778 -3.602 1.00 0.00 C ATOM 0 H THR A 21 4.006 -4.219 -3.198 1.00 0.00 H new ATOM 0 HA THR A 21 6.063 -3.549 -1.150 1.00 0.00 H new ATOM 0 HB THR A 21 6.343 -3.811 -4.056 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.593 -3.558 -3.153 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.655 -1.747 -4.373 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.962 -1.351 -3.994 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.214 -1.201 -2.738 1.00 0.00 H new ATOM 294 N CYS A 22 4.693 -1.651 -0.633 1.00 0.00 N ATOM 295 CA CYS A 22 3.963 -0.443 -0.284 1.00 0.00 C ATOM 296 C CYS A 22 4.560 0.723 -1.075 1.00 0.00 C ATOM 297 O CYS A 22 5.436 1.431 -0.580 1.00 0.00 O ATOM 298 CB CYS A 22 3.990 -0.183 1.224 1.00 0.00 C ATOM 299 SG CYS A 22 2.980 1.241 1.775 1.00 0.00 S ATOM 0 H CYS A 22 5.127 -2.130 0.156 1.00 0.00 H new ATOM 0 HA CYS A 22 2.912 -0.560 -0.548 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.642 -1.078 1.739 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.023 -0.019 1.532 1.00 0.00 H new ATOM 304 N TYR A 23 4.061 0.887 -2.291 1.00 0.00 N ATOM 305 CA TYR A 23 4.535 1.955 -3.156 1.00 0.00 C ATOM 306 C TYR A 23 3.658 3.201 -3.017 1.00 0.00 C ATOM 307 O TYR A 23 2.437 3.096 -2.899 1.00 0.00 O ATOM 308 CB TYR A 23 4.419 1.422 -4.585 1.00 0.00 C ATOM 309 CG TYR A 23 5.355 2.108 -5.583 1.00 0.00 C ATOM 310 CD1 TYR A 23 6.717 2.100 -5.367 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.836 2.734 -6.698 1.00 0.00 C ATOM 312 CE1 TYR A 23 7.599 2.746 -6.305 1.00 0.00 C ATOM 313 CE2 TYR A 23 5.717 3.380 -7.636 1.00 0.00 C ATOM 314 CZ TYR A 23 7.054 3.353 -7.394 1.00 0.00 C ATOM 315 OH TYR A 23 7.887 3.963 -8.281 1.00 0.00 O ATOM 0 H TYR A 23 3.334 0.299 -2.698 1.00 0.00 H new ATOM 0 HA TYR A 23 5.555 2.236 -2.896 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.629 0.353 -4.581 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.390 1.543 -4.925 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.122 1.609 -4.494 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.769 2.739 -6.867 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.667 2.748 -6.148 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.324 3.875 -8.512 1.00 0.00 H new ATOM 0 HH TYR A 23 7.360 4.353 -9.009 1.00 0.00 H new ATOM 325 N CYS A 24 4.315 4.352 -3.035 1.00 0.00 N ATOM 326 CA CYS A 24 3.611 5.617 -2.912 1.00 0.00 C ATOM 327 C CYS A 24 3.972 6.486 -4.118 1.00 0.00 C ATOM 328 O CYS A 24 5.149 6.704 -4.400 1.00 0.00 O ATOM 329 CB CYS A 24 3.930 6.316 -1.589 1.00 0.00 C ATOM 330 SG CYS A 24 4.259 5.188 -0.186 1.00 0.00 S ATOM 0 H CYS A 24 5.327 4.435 -3.133 1.00 0.00 H new ATOM 0 HA CYS A 24 2.536 5.438 -2.902 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.800 6.957 -1.733 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.095 6.966 -1.327 1.00 0.00 H new ATOM 335 N ARG A 25 2.937 6.959 -4.797 1.00 0.00 N ATOM 336 CA ARG A 25 3.130 7.801 -5.966 1.00 0.00 C ATOM 337 C ARG A 25 3.559 9.207 -5.543 1.00 0.00 C ATOM 338 O ARG A 25 4.663 9.645 -5.862 1.00 0.00 O ATOM 339 CB ARG A 25 1.848 7.893 -6.795 1.00 0.00 C ATOM 340 CG ARG A 25 1.930 9.040 -7.805 1.00 0.00 C ATOM 341 CD ARG A 25 3.276 9.034 -8.534 1.00 0.00 C ATOM 342 NE ARG A 25 3.658 7.645 -8.878 1.00 0.00 N ATOM 343 CZ ARG A 25 4.450 7.317 -9.908 1.00 0.00 C ATOM 344 NH1 ARG A 25 4.948 8.276 -10.702 1.00 0.00 N ATOM 345 NH2 ARG A 25 4.743 6.032 -10.145 1.00 0.00 N ATOM 0 H ARG A 25 1.962 6.775 -4.560 1.00 0.00 H new ATOM 0 HA ARG A 25 3.912 7.348 -6.576 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.682 6.952 -7.320 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.994 8.045 -6.135 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.120 8.950 -8.529 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.795 9.992 -7.291 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.211 9.637 -9.440 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.042 9.486 -7.904 1.00 0.00 H new ATOM 0 HE ARG A 25 3.296 6.891 -8.294 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.724 9.255 -10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.551 8.027 -11.486 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.363 5.303 -9.541 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.346 5.783 -10.929 1.00 0.00 H new ATOM 359 N PHE A 26 2.663 9.875 -4.831 1.00 0.00 N ATOM 360 CA PHE A 26 2.934 11.223 -4.361 1.00 0.00 C ATOM 361 C PHE A 26 3.684 11.198 -3.028 1.00 0.00 C ATOM 362 O PHE A 26 4.354 10.218 -2.707 1.00 0.00 O ATOM 363 CB PHE A 26 1.582 11.907 -4.160 1.00 0.00 C ATOM 364 CG PHE A 26 1.563 13.382 -4.565 1.00 0.00 C ATOM 365 CD1 PHE A 26 1.923 13.746 -5.825 1.00 0.00 C ATOM 366 CD2 PHE A 26 1.186 14.330 -3.666 1.00 0.00 C ATOM 367 CE1 PHE A 26 1.907 15.115 -6.202 1.00 0.00 C ATOM 368 CE2 PHE A 26 1.170 15.700 -4.042 1.00 0.00 C ATOM 369 CZ PHE A 26 1.530 16.063 -5.303 1.00 0.00 C ATOM 0 H PHE A 26 1.748 9.508 -4.568 1.00 0.00 H new ATOM 0 HA PHE A 26 3.553 11.752 -5.085 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.827 11.373 -4.737 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.298 11.825 -3.111 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.221 12.993 -6.540 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.899 14.041 -2.666 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.194 15.403 -7.202 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.872 16.453 -3.327 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.516 17.104 -5.590 1.00 0.00 H new ATOM 379 N PHE A 27 3.545 12.288 -2.287 1.00 0.00 N ATOM 380 CA PHE A 27 4.200 12.403 -0.996 1.00 0.00 C ATOM 381 C PHE A 27 3.458 11.595 0.070 1.00 0.00 C ATOM 382 O PHE A 27 4.007 10.647 0.630 1.00 0.00 O ATOM 383 CB PHE A 27 4.171 13.884 -0.610 1.00 0.00 C ATOM 384 CG PHE A 27 5.521 14.433 -0.144 1.00 0.00 C ATOM 385 CD1 PHE A 27 6.078 13.979 1.011 1.00 0.00 C ATOM 386 CD2 PHE A 27 6.164 15.375 -0.885 1.00 0.00 C ATOM 387 CE1 PHE A 27 7.331 14.489 1.443 1.00 0.00 C ATOM 388 CE2 PHE A 27 7.417 15.885 -0.452 1.00 0.00 C ATOM 389 CZ PHE A 27 7.973 15.431 0.701 1.00 0.00 C ATOM 0 H PHE A 27 2.988 13.099 -2.557 1.00 0.00 H new ATOM 0 HA PHE A 27 5.218 12.019 -1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.830 14.465 -1.467 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.438 14.027 0.184 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.567 13.231 1.599 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.722 15.735 -1.802 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.774 14.129 2.360 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.928 16.634 -1.040 1.00 0.00 H new ATOM 0 HZ PHE A 27 8.926 15.818 1.029 1.00 0.00 H new ATOM 399 N ASN A 28 2.221 12.000 0.320 1.00 0.00 N ATOM 400 CA ASN A 28 1.398 11.326 1.309 1.00 0.00 C ATOM 401 C ASN A 28 -0.063 11.350 0.853 1.00 0.00 C ATOM 402 O ASN A 28 -0.857 12.149 1.345 1.00 0.00 O ATOM 403 CB ASN A 28 1.482 12.027 2.666 1.00 0.00 C ATOM 404 CG ASN A 28 1.304 11.028 3.811 1.00 0.00 C ATOM 405 OD1 ASN A 28 1.771 9.902 3.765 1.00 0.00 O ATOM 406 ND2 ASN A 28 0.607 11.503 4.839 1.00 0.00 N ATOM 0 H ASN A 28 1.769 12.787 -0.146 1.00 0.00 H new ATOM 0 HA ASN A 28 1.761 10.303 1.409 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.446 12.527 2.762 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.714 12.798 2.729 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.435 10.914 5.654 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.244 12.456 4.812 1.00 0.00 H new ATOM 413 N ALA A 29 -0.372 10.465 -0.083 1.00 0.00 N ATOM 414 CA ALA A 29 -1.722 10.376 -0.612 1.00 0.00 C ATOM 415 C ALA A 29 -1.954 8.970 -1.169 1.00 0.00 C ATOM 416 O ALA A 29 -2.699 8.183 -0.589 1.00 0.00 O ATOM 417 CB ALA A 29 -1.932 11.464 -1.666 1.00 0.00 C ATOM 0 H ALA A 29 0.290 9.803 -0.489 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.455 10.543 0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.945 11.396 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.785 12.444 -1.212 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.216 11.329 -2.476 1.00 0.00 H new ATOM 423 N PHE A 30 -1.303 8.698 -2.290 1.00 0.00 N ATOM 424 CA PHE A 30 -1.429 7.402 -2.934 1.00 0.00 C ATOM 425 C PHE A 30 -0.294 6.467 -2.511 1.00 0.00 C ATOM 426 O PHE A 30 0.826 6.578 -3.008 1.00 0.00 O ATOM 427 CB PHE A 30 -1.342 7.640 -4.443 1.00 0.00 C ATOM 428 CG PHE A 30 -2.692 7.593 -5.159 1.00 0.00 C ATOM 429 CD1 PHE A 30 -3.825 7.957 -4.501 1.00 0.00 C ATOM 430 CD2 PHE A 30 -2.760 7.186 -6.455 1.00 0.00 C ATOM 431 CE1 PHE A 30 -5.079 7.912 -5.167 1.00 0.00 C ATOM 432 CE2 PHE A 30 -4.014 7.142 -7.121 1.00 0.00 C ATOM 433 CZ PHE A 30 -5.146 7.506 -6.463 1.00 0.00 C ATOM 0 H PHE A 30 -0.686 9.354 -2.769 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.373 6.937 -2.650 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.882 8.612 -4.621 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.684 6.890 -4.881 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.771 8.280 -3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.861 6.896 -6.978 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.979 8.200 -4.644 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.068 6.819 -8.150 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.099 7.473 -6.970 1.00 0.00 H new ATOM 443 N CYS A 31 -0.622 5.565 -1.597 1.00 0.00 N ATOM 444 CA CYS A 31 0.355 4.612 -1.101 1.00 0.00 C ATOM 445 C CYS A 31 -0.366 3.295 -0.805 1.00 0.00 C ATOM 446 O CYS A 31 -1.203 3.231 0.094 1.00 0.00 O ATOM 447 CB CYS A 31 1.096 5.147 0.126 1.00 0.00 C ATOM 448 SG CYS A 31 2.694 4.325 0.476 1.00 0.00 S ATOM 0 H CYS A 31 -1.552 5.475 -1.187 1.00 0.00 H new ATOM 0 HA CYS A 31 1.120 4.443 -1.859 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.274 6.214 -0.011 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.450 5.041 0.998 1.00 0.00 H new ATOM 453 N TYR A 32 -0.013 2.277 -1.575 1.00 0.00 N ATOM 454 CA TYR A 32 -0.616 0.967 -1.407 1.00 0.00 C ATOM 455 C TYR A 32 0.392 -0.144 -1.711 1.00 0.00 C ATOM 456 O TYR A 32 1.532 0.131 -2.081 1.00 0.00 O ATOM 457 CB TYR A 32 -1.758 0.893 -2.421 1.00 0.00 C ATOM 458 CG TYR A 32 -1.632 1.891 -3.575 1.00 0.00 C ATOM 459 CD1 TYR A 32 -0.456 1.967 -4.294 1.00 0.00 C ATOM 460 CD2 TYR A 32 -2.693 2.714 -3.895 1.00 0.00 C ATOM 461 CE1 TYR A 32 -0.337 2.906 -5.380 1.00 0.00 C ATOM 462 CE2 TYR A 32 -2.572 3.652 -4.981 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.401 3.702 -5.669 1.00 0.00 C ATOM 464 OH TYR A 32 -1.288 4.588 -6.695 1.00 0.00 O ATOM 0 H TYR A 32 0.684 2.333 -2.318 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.959 0.833 -0.381 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.802 -0.116 -2.830 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.701 1.069 -1.904 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.374 1.323 -4.043 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.613 2.655 -3.332 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.577 2.976 -5.952 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.394 4.302 -5.243 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.065 5.185 -6.699 1.00 0.00 H new ATOM 474 N CYS A 33 -0.065 -1.376 -1.544 1.00 0.00 N ATOM 475 CA CYS A 33 0.782 -2.530 -1.797 1.00 0.00 C ATOM 476 C CYS A 33 0.792 -2.798 -3.302 1.00 0.00 C ATOM 477 O CYS A 33 -0.242 -3.116 -3.887 1.00 0.00 O ATOM 478 CB CYS A 33 0.323 -3.755 -1.002 1.00 0.00 C ATOM 479 SG CYS A 33 1.149 -3.972 0.616 1.00 0.00 S ATOM 0 H CYS A 33 -1.011 -1.601 -1.236 1.00 0.00 H new ATOM 0 HA CYS A 33 1.797 -2.319 -1.460 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.752 -3.683 -0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.495 -4.647 -1.604 1.00 0.00 H new ATOM 484 N ARG A 34 1.973 -2.659 -3.889 1.00 0.00 N ATOM 485 CA ARG A 34 2.131 -2.883 -5.315 1.00 0.00 C ATOM 486 C ARG A 34 3.418 -3.663 -5.591 1.00 0.00 C ATOM 487 O ARG A 34 3.648 -4.715 -4.997 1.00 0.00 O ATOM 488 CB ARG A 34 2.173 -1.557 -6.079 1.00 0.00 C ATOM 489 CG ARG A 34 2.533 -1.784 -7.549 1.00 0.00 C ATOM 490 CD ARG A 34 1.403 -2.510 -8.284 1.00 0.00 C ATOM 491 NE ARG A 34 1.970 -3.437 -9.289 1.00 0.00 N ATOM 492 CZ ARG A 34 2.348 -4.695 -9.024 1.00 0.00 C ATOM 493 NH1 ARG A 34 2.222 -5.184 -7.783 1.00 0.00 N ATOM 494 NH2 ARG A 34 2.849 -5.463 -10.000 1.00 0.00 N ATOM 0 H ARG A 34 2.829 -2.394 -3.402 1.00 0.00 H new ATOM 0 HA ARG A 34 1.272 -3.460 -5.657 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.204 -1.062 -6.010 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.904 -0.891 -5.620 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.729 -0.826 -8.031 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.450 -2.369 -7.617 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.790 -3.062 -7.572 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.750 -1.786 -8.772 1.00 0.00 H new ATOM 0 HE ARG A 34 2.080 -3.097 -10.244 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.839 -4.599 -7.041 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.509 -6.141 -7.580 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.943 -5.090 -10.945 1.00 0.00 H new ATOM 0 HH22 ARG A 34 3.137 -6.421 -9.799 1.00 0.00 H new