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+ -142:sc= 0.202 (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 180:sc= 0.0919 USER MOD Single : A 11 GLN :FLIP amide:sc= -7.7! C(o=-12!,f=-7.7!) USER MOD Single : A 12 GLN : amide:sc= -0.0088 K(o=-0.0088,f=-1.4) USER MOD Single : A 21 THR OG1 : rot 5:sc= 0.529! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.17! C(o=-3.2!,f=-4.9!) USER MOD Single : A 32 TYR OH : rot 173:sc= 0.458 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -4.743 -7.402 7.622 1.00 0.00 N ATOM 2 CA CYS A 1 -3.575 -7.291 6.766 1.00 0.00 C ATOM 3 C CYS A 1 -3.837 -6.191 5.735 1.00 0.00 C ATOM 4 O CYS A 1 -4.799 -5.435 5.861 1.00 0.00 O ATOM 5 CB CYS A 1 -3.232 -8.626 6.100 1.00 0.00 C ATOM 6 SG CYS A 1 -4.551 -9.316 5.037 1.00 0.00 S ATOM 0 H1 CYS A 1 -4.440 -7.585 8.600 1.00 0.00 H new ATOM 0 H2 CYS A 1 -5.284 -6.515 7.587 1.00 0.00 H new ATOM 0 H3 CYS A 1 -5.342 -8.186 7.292 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.705 -7.025 7.367 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -2.332 -8.495 5.499 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -2.994 -9.353 6.877 1.00 0.00 H new ATOM 11 N VAL A 2 -2.967 -6.139 4.737 1.00 0.00 N ATOM 12 CA VAL A 2 -3.092 -5.145 3.685 1.00 0.00 C ATOM 13 C VAL A 2 -2.872 -5.815 2.327 1.00 0.00 C ATOM 14 O VAL A 2 -1.786 -6.323 2.050 1.00 0.00 O ATOM 15 CB VAL A 2 -2.127 -3.986 3.942 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.857 -3.201 2.656 1.00 0.00 C ATOM 17 CG2 VAL A 2 -2.657 -3.066 5.045 1.00 0.00 C ATOM 0 H VAL A 2 -2.172 -6.770 4.635 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.096 -4.720 3.680 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.181 -4.407 4.282 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.168 -2.383 2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.416 -3.864 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.794 -2.797 2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.953 -2.250 5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -3.622 -2.657 4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.774 -3.634 5.968 1.00 0.00 H new ATOM 27 N ARG A 3 -3.920 -5.795 1.518 1.00 0.00 N ATOM 28 CA ARG A 3 -3.856 -6.395 0.196 1.00 0.00 C ATOM 29 C ARG A 3 -3.164 -5.446 -0.785 1.00 0.00 C ATOM 30 O ARG A 3 -2.969 -4.270 -0.482 1.00 0.00 O ATOM 31 CB ARG A 3 -5.256 -6.726 -0.328 1.00 0.00 C ATOM 32 CG ARG A 3 -5.716 -8.098 0.169 1.00 0.00 C ATOM 33 CD ARG A 3 -5.340 -9.196 -0.827 1.00 0.00 C ATOM 34 NE ARG A 3 -4.035 -9.789 -0.457 1.00 0.00 N ATOM 35 CZ ARG A 3 -3.588 -10.967 -0.913 1.00 0.00 C ATOM 36 NH1 ARG A 3 -4.340 -11.687 -1.758 1.00 0.00 N ATOM 37 NH2 ARG A 3 -2.392 -11.427 -0.522 1.00 0.00 N ATOM 0 H ARG A 3 -4.819 -5.373 1.752 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.283 -7.319 0.279 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.961 -5.962 -0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.253 -6.712 -1.418 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.262 -8.309 1.137 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.796 -8.092 0.318 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.110 -9.968 -0.838 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.289 -8.783 -1.834 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.438 -9.268 0.186 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.252 -11.338 -2.053 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -4.000 -12.584 -2.105 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.821 -10.880 0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.052 -12.324 -0.869 1.00 0.00 H new ATOM 51 N LEU A 4 -2.811 -5.993 -1.939 1.00 0.00 N ATOM 52 CA LEU A 4 -2.145 -5.208 -2.965 1.00 0.00 C ATOM 53 C LEU A 4 -2.971 -3.956 -3.262 1.00 0.00 C ATOM 54 O LEU A 4 -2.417 -2.879 -3.483 1.00 0.00 O ATOM 55 CB LEU A 4 -1.868 -6.068 -4.200 1.00 0.00 C ATOM 56 CG LEU A 4 -0.497 -5.878 -4.855 1.00 0.00 C ATOM 57 CD1 LEU A 4 0.217 -7.221 -5.029 1.00 0.00 C ATOM 58 CD2 LEU A 4 -0.622 -5.120 -6.178 1.00 0.00 C ATOM 0 H LEU A 4 -2.973 -6.969 -2.186 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.170 -4.870 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.973 -7.116 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.637 -5.859 -4.944 1.00 0.00 H new ATOM 0 HG LEU A 4 0.118 -5.269 -4.192 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.188 -7.059 -5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.357 -7.688 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.385 -7.874 -5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.366 -4.998 -6.622 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.260 -5.682 -6.860 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.061 -4.139 -5.995 1.00 0.00 H new ATOM 70 N HIS A 5 -4.284 -4.135 -3.255 1.00 0.00 N ATOM 71 CA HIS A 5 -5.192 -3.034 -3.520 1.00 0.00 C ATOM 72 C HIS A 5 -5.692 -2.451 -2.197 1.00 0.00 C ATOM 73 O HIS A 5 -6.888 -2.206 -2.034 1.00 0.00 O ATOM 74 CB HIS A 5 -6.330 -3.477 -4.441 1.00 0.00 C ATOM 75 CG HIS A 5 -5.876 -4.282 -5.635 1.00 0.00 C ATOM 76 ND1 HIS A 5 -4.885 -3.848 -6.498 1.00 0.00 N ATOM 77 CD2 HIS A 5 -6.288 -5.497 -6.100 1.00 0.00 C ATOM 78 CE1 HIS A 5 -4.716 -4.768 -7.437 1.00 0.00 C ATOM 79 NE2 HIS A 5 -5.586 -5.789 -7.188 1.00 0.00 N ATOM 0 H HIS A 5 -4.740 -5.028 -3.070 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.663 -2.241 -4.049 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -7.040 -4.070 -3.865 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -6.864 -2.594 -4.793 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -7.055 -6.116 -5.658 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -4.013 -4.718 -8.255 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -5.681 -6.637 -7.746 1.00 0.00 H new ATOM 88 N GLU A 6 -4.754 -2.247 -1.284 1.00 0.00 N ATOM 89 CA GLU A 6 -5.085 -1.698 0.020 1.00 0.00 C ATOM 90 C GLU A 6 -4.017 -0.697 0.461 1.00 0.00 C ATOM 91 O GLU A 6 -2.885 -1.079 0.755 1.00 0.00 O ATOM 92 CB GLU A 6 -5.254 -2.811 1.056 1.00 0.00 C ATOM 93 CG GLU A 6 -6.669 -3.391 1.011 1.00 0.00 C ATOM 94 CD GLU A 6 -7.044 -4.025 2.353 1.00 0.00 C ATOM 95 OE1 GLU A 6 -6.761 -3.378 3.384 1.00 0.00 O ATOM 96 OE2 GLU A 6 -7.605 -5.141 2.316 1.00 0.00 O ATOM 0 H GLU A 6 -3.764 -2.452 -1.422 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.037 -1.173 -0.060 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.527 -3.601 0.868 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.049 -2.420 2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.381 -2.603 0.765 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.735 -4.138 0.220 1.00 0.00 H new ATOM 103 N SER A 7 -4.412 0.568 0.493 1.00 0.00 N ATOM 104 CA SER A 7 -3.504 1.628 0.892 1.00 0.00 C ATOM 105 C SER A 7 -2.615 1.149 2.042 1.00 0.00 C ATOM 106 O SER A 7 -2.974 0.220 2.765 1.00 0.00 O ATOM 107 CB SER A 7 -4.271 2.887 1.304 1.00 0.00 C ATOM 108 OG SER A 7 -3.698 3.510 2.450 1.00 0.00 O ATOM 0 H SER A 7 -5.351 0.882 0.248 1.00 0.00 H new ATOM 0 HA SER A 7 -2.878 1.881 0.036 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.281 3.594 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.309 2.627 1.513 1.00 0.00 H new ATOM 0 HG SER A 7 -4.215 4.310 2.680 1.00 0.00 H new ATOM 114 N CYS A 8 -1.471 1.803 2.177 1.00 0.00 N ATOM 115 CA CYS A 8 -0.528 1.456 3.226 1.00 0.00 C ATOM 116 C CYS A 8 -0.171 2.731 3.992 1.00 0.00 C ATOM 117 O CYS A 8 0.689 2.711 4.870 1.00 0.00 O ATOM 118 CB CYS A 8 0.714 0.761 2.665 1.00 0.00 C ATOM 119 SG CYS A 8 2.146 0.712 3.801 1.00 0.00 S ATOM 0 H CYS A 8 -1.176 2.573 1.576 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.987 0.740 3.907 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.449 -0.261 2.393 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.013 1.268 1.748 1.00 0.00 H new ATOM 124 N LEU A 9 -0.850 3.810 3.632 1.00 0.00 N ATOM 125 CA LEU A 9 -0.615 5.092 4.274 1.00 0.00 C ATOM 126 C LEU A 9 -0.425 4.876 5.776 1.00 0.00 C ATOM 127 O LEU A 9 -1.351 4.456 6.469 1.00 0.00 O ATOM 128 CB LEU A 9 -1.734 6.077 3.930 1.00 0.00 C ATOM 129 CG LEU A 9 -1.682 6.689 2.529 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.975 7.442 2.211 1.00 0.00 C ATOM 131 CD2 LEU A 9 -0.447 7.577 2.365 1.00 0.00 C ATOM 0 H LEU A 9 -1.564 3.823 2.903 1.00 0.00 H new ATOM 0 HA LEU A 9 0.302 5.545 3.898 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -2.690 5.566 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.715 6.887 4.659 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.595 5.879 1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.911 7.867 1.209 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.819 6.753 2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.118 8.243 2.937 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.434 8.000 1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.479 8.383 3.098 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.453 6.981 2.520 1.00 0.00 H new ATOM 143 N GLY A 10 0.782 5.176 6.237 1.00 0.00 N ATOM 144 CA GLY A 10 1.104 5.021 7.646 1.00 0.00 C ATOM 145 C GLY A 10 0.388 3.806 8.242 1.00 0.00 C ATOM 146 O GLY A 10 -0.273 3.916 9.273 1.00 0.00 O ATOM 0 H GLY A 10 1.547 5.525 5.660 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.181 4.908 7.766 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.815 5.921 8.190 1.00 0.00 H new ATOM 150 N GLN A 11 0.545 2.677 7.567 1.00 0.00 N ATOM 151 CA GLN A 11 -0.079 1.444 8.017 1.00 0.00 C ATOM 152 C GLN A 11 0.670 0.882 9.227 1.00 0.00 C ATOM 153 O GLN A 11 1.795 1.292 9.511 1.00 0.00 O ATOM 154 CB GLN A 11 -0.141 0.418 6.885 1.00 0.00 C ATOM 155 CG GLN A 11 1.101 -0.477 6.886 1.00 0.00 C ATOM 156 CD GLN A 11 0.989 -1.571 5.823 1.00 0.00 C ATOM 157 OE1 GLN A 11 -0.152 -2.254 5.867 1.00 0.00 O flip ATOM 158 NE2 GLN A 11 1.880 -1.783 5.016 1.00 0.00 N flip ATOM 0 H GLN A 11 1.095 2.590 6.712 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.103 1.665 8.319 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.035 -0.195 6.994 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.222 0.932 5.927 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.989 0.127 6.699 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.225 -0.931 7.869 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.731 -1.222 5.037 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.773 -2.522 4.321 1.00 0.00 H new ATOM 167 N GLN A 12 0.018 -0.048 9.908 1.00 0.00 N ATOM 168 CA GLN A 12 0.607 -0.671 11.080 1.00 0.00 C ATOM 169 C GLN A 12 0.452 -2.192 11.008 1.00 0.00 C ATOM 170 O GLN A 12 0.937 -2.910 11.881 1.00 0.00 O ATOM 171 CB GLN A 12 -0.013 -0.118 12.365 1.00 0.00 C ATOM 172 CG GLN A 12 1.070 0.375 13.327 1.00 0.00 C ATOM 173 CD GLN A 12 0.485 0.648 14.715 1.00 0.00 C ATOM 174 OE1 GLN A 12 -0.665 0.362 15.000 1.00 0.00 O ATOM 175 NE2 GLN A 12 1.341 1.218 15.559 1.00 0.00 N ATOM 0 H GLN A 12 -0.915 -0.386 9.670 1.00 0.00 H new ATOM 0 HA GLN A 12 1.671 -0.434 11.097 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.690 0.701 12.123 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -0.609 -0.892 12.848 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.862 -0.370 13.402 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.524 1.285 12.934 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.291 1.431 15.255 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.047 1.442 16.510 1.00 0.00 H new ATOM 184 N VAL A 13 -0.223 -2.637 9.958 1.00 0.00 N ATOM 185 CA VAL A 13 -0.447 -4.059 9.761 1.00 0.00 C ATOM 186 C VAL A 13 0.363 -4.535 8.553 1.00 0.00 C ATOM 187 O VAL A 13 0.704 -3.741 7.679 1.00 0.00 O ATOM 188 CB VAL A 13 -1.945 -4.339 9.626 1.00 0.00 C ATOM 189 CG1 VAL A 13 -2.441 -5.230 10.766 1.00 0.00 C ATOM 190 CG2 VAL A 13 -2.742 -3.035 9.561 1.00 0.00 C ATOM 0 H VAL A 13 -0.622 -2.038 9.235 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.102 -4.624 10.627 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.103 -4.875 8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.509 -5.414 10.646 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.905 -6.179 10.746 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.263 -4.733 11.720 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.804 -3.262 9.465 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.575 -2.460 10.472 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.416 -2.452 8.699 1.00 0.00 H new ATOM 200 N PRO A 14 0.651 -5.865 8.543 1.00 0.00 N ATOM 201 CA PRO A 14 1.415 -6.456 7.457 1.00 0.00 C ATOM 202 C PRO A 14 0.556 -6.598 6.199 1.00 0.00 C ATOM 203 O PRO A 14 -0.662 -6.433 6.251 1.00 0.00 O ATOM 204 CB PRO A 14 1.900 -7.790 7.999 1.00 0.00 C ATOM 205 CG PRO A 14 1.011 -8.104 9.191 1.00 0.00 C ATOM 206 CD PRO A 14 0.263 -6.835 9.562 1.00 0.00 C ATOM 0 HA PRO A 14 2.257 -5.837 7.148 1.00 0.00 H new ATOM 0 HB2 PRO A 14 1.826 -8.570 7.241 1.00 0.00 H new ATOM 0 HB3 PRO A 14 2.947 -7.733 8.297 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.310 -8.902 8.945 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.610 -8.454 10.032 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.815 -6.997 9.564 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.536 -6.492 10.560 1.00 0.00 H new ATOM 214 N CYS A 15 1.225 -6.902 5.095 1.00 0.00 N ATOM 215 CA CYS A 15 0.539 -7.068 3.825 1.00 0.00 C ATOM 216 C CYS A 15 0.328 -8.565 3.586 1.00 0.00 C ATOM 217 O CYS A 15 1.280 -9.344 3.627 1.00 0.00 O ATOM 218 CB CYS A 15 1.305 -6.408 2.678 1.00 0.00 C ATOM 219 SG CYS A 15 0.803 -4.687 2.311 1.00 0.00 S ATOM 0 H CYS A 15 2.235 -7.038 5.055 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.429 -6.567 3.862 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.369 -6.418 2.916 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.174 -7.010 1.779 1.00 0.00 H new ATOM 224 N CYS A 16 -0.923 -8.922 3.339 1.00 0.00 N ATOM 225 CA CYS A 16 -1.269 -10.311 3.092 1.00 0.00 C ATOM 226 C CYS A 16 -0.394 -10.829 1.949 1.00 0.00 C ATOM 227 O CYS A 16 0.095 -11.957 1.997 1.00 0.00 O ATOM 228 CB CYS A 16 -2.759 -10.478 2.790 1.00 0.00 C ATOM 229 SG CYS A 16 -3.775 -11.024 4.211 1.00 0.00 S ATOM 0 H CYS A 16 -1.710 -8.274 3.305 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.079 -10.900 3.989 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.150 -9.528 2.426 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.873 -11.200 1.982 1.00 0.00 H new ATOM 234 N ASP A 17 -0.223 -9.979 0.946 1.00 0.00 N ATOM 235 CA ASP A 17 0.584 -10.337 -0.208 1.00 0.00 C ATOM 236 C ASP A 17 2.065 -10.164 0.139 1.00 0.00 C ATOM 237 O ASP A 17 2.487 -9.087 0.552 1.00 0.00 O ATOM 238 CB ASP A 17 0.269 -9.434 -1.401 1.00 0.00 C ATOM 239 CG ASP A 17 -1.011 -9.787 -2.159 1.00 0.00 C ATOM 240 OD1 ASP A 17 -1.013 -10.858 -2.804 1.00 0.00 O ATOM 241 OD2 ASP A 17 -1.962 -8.979 -2.077 1.00 0.00 O ATOM 0 H ASP A 17 -0.629 -9.044 0.909 1.00 0.00 H new ATOM 0 HA ASP A 17 0.360 -11.371 -0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.193 -8.405 -1.049 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.107 -9.471 -2.097 1.00 0.00 H new ATOM 246 N PRO A 18 2.832 -11.272 -0.049 1.00 0.00 N ATOM 247 CA PRO A 18 4.255 -11.253 0.238 1.00 0.00 C ATOM 248 C PRO A 18 5.024 -10.495 -0.846 1.00 0.00 C ATOM 249 O PRO A 18 6.066 -9.902 -0.573 1.00 0.00 O ATOM 250 CB PRO A 18 4.657 -12.717 0.337 1.00 0.00 C ATOM 251 CG PRO A 18 3.552 -13.498 -0.355 1.00 0.00 C ATOM 252 CD PRO A 18 2.364 -12.567 -0.538 1.00 0.00 C ATOM 0 HA PRO A 18 4.490 -10.725 1.163 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.619 -12.892 -0.144 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.760 -13.025 1.378 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.896 -13.872 -1.320 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.268 -14.366 0.240 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.062 -12.510 -1.584 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.498 -12.914 0.025 1.00 0.00 H new ATOM 260 N ALA A 19 4.480 -10.540 -2.053 1.00 0.00 N ATOM 261 CA ALA A 19 5.101 -9.864 -3.179 1.00 0.00 C ATOM 262 C ALA A 19 4.509 -8.461 -3.318 1.00 0.00 C ATOM 263 O ALA A 19 4.431 -7.921 -4.420 1.00 0.00 O ATOM 264 CB ALA A 19 4.913 -10.704 -4.445 1.00 0.00 C ATOM 0 H ALA A 19 3.616 -11.034 -2.276 1.00 0.00 H new ATOM 0 HA ALA A 19 6.173 -9.754 -3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.379 -10.197 -5.290 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.378 -11.680 -4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.849 -10.833 -4.641 1.00 0.00 H new ATOM 270 N ALA A 20 4.105 -7.909 -2.182 1.00 0.00 N ATOM 271 CA ALA A 20 3.522 -6.579 -2.162 1.00 0.00 C ATOM 272 C ALA A 20 4.428 -5.642 -1.361 1.00 0.00 C ATOM 273 O ALA A 20 4.726 -5.905 -0.197 1.00 0.00 O ATOM 274 CB ALA A 20 2.105 -6.652 -1.588 1.00 0.00 C ATOM 0 H ALA A 20 4.170 -8.360 -1.269 1.00 0.00 H new ATOM 0 HA ALA A 20 3.444 -6.178 -3.173 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.667 -5.654 -1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.494 -7.307 -2.209 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.144 -7.047 -0.573 1.00 0.00 H new ATOM 280 N THR A 21 4.841 -4.567 -2.017 1.00 0.00 N ATOM 281 CA THR A 21 5.707 -3.590 -1.380 1.00 0.00 C ATOM 282 C THR A 21 4.960 -2.270 -1.172 1.00 0.00 C ATOM 283 O THR A 21 4.398 -1.716 -2.116 1.00 0.00 O ATOM 284 CB THR A 21 6.966 -3.446 -2.236 1.00 0.00 C ATOM 285 OG1 THR A 21 6.537 -2.688 -3.364 1.00 0.00 O ATOM 286 CG2 THR A 21 7.424 -4.778 -2.834 1.00 0.00 C ATOM 0 H THR A 21 4.592 -4.352 -2.982 1.00 0.00 H new ATOM 0 HA THR A 21 6.008 -3.918 -0.385 1.00 0.00 H new ATOM 0 HB THR A 21 7.769 -3.025 -1.630 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.603 -2.419 -3.241 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.321 -4.619 -3.432 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.644 -5.481 -2.031 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.634 -5.184 -3.466 1.00 0.00 H new ATOM 294 N CYS A 22 4.978 -1.806 0.068 1.00 0.00 N ATOM 295 CA CYS A 22 4.309 -0.562 0.412 1.00 0.00 C ATOM 296 C CYS A 22 4.901 0.556 -0.449 1.00 0.00 C ATOM 297 O CYS A 22 5.838 1.235 -0.033 1.00 0.00 O ATOM 298 CB CYS A 22 4.423 -0.253 1.906 1.00 0.00 C ATOM 299 SG CYS A 22 3.633 1.315 2.426 1.00 0.00 S ATOM 0 H CYS A 22 5.445 -2.269 0.848 1.00 0.00 H new ATOM 0 HA CYS A 22 3.242 -0.651 0.207 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.976 -1.073 2.468 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.478 -0.219 2.177 1.00 0.00 H new ATOM 304 N TYR A 23 4.331 0.712 -1.635 1.00 0.00 N ATOM 305 CA TYR A 23 4.790 1.735 -2.559 1.00 0.00 C ATOM 306 C TYR A 23 3.762 2.861 -2.687 1.00 0.00 C ATOM 307 O TYR A 23 2.559 2.620 -2.597 1.00 0.00 O ATOM 308 CB TYR A 23 4.942 1.042 -3.914 1.00 0.00 C ATOM 309 CG TYR A 23 5.908 1.747 -4.869 1.00 0.00 C ATOM 310 CD1 TYR A 23 7.244 1.861 -4.541 1.00 0.00 C ATOM 311 CD2 TYR A 23 5.443 2.271 -6.058 1.00 0.00 C ATOM 312 CE1 TYR A 23 8.152 2.525 -5.438 1.00 0.00 C ATOM 313 CE2 TYR A 23 6.351 2.935 -6.957 1.00 0.00 C ATOM 314 CZ TYR A 23 7.661 3.029 -6.603 1.00 0.00 C ATOM 315 OH TYR A 23 8.519 3.657 -7.451 1.00 0.00 O ATOM 0 H TYR A 23 3.554 0.146 -1.977 1.00 0.00 H new ATOM 0 HA TYR A 23 5.723 2.177 -2.209 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.288 0.021 -3.752 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.963 0.975 -4.388 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.608 1.451 -3.610 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.398 2.183 -6.314 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.199 2.621 -5.192 1.00 0.00 H new ATOM 0 HE2 TYR A 23 6.000 3.349 -7.891 1.00 0.00 H new ATOM 0 HH TYR A 23 8.030 3.965 -8.243 1.00 0.00 H new ATOM 325 N CYS A 24 4.273 4.065 -2.893 1.00 0.00 N ATOM 326 CA CYS A 24 3.414 5.228 -3.034 1.00 0.00 C ATOM 327 C CYS A 24 3.786 5.946 -4.334 1.00 0.00 C ATOM 328 O CYS A 24 4.225 5.313 -5.292 1.00 0.00 O ATOM 329 CB CYS A 24 3.515 6.156 -1.821 1.00 0.00 C ATOM 330 SG CYS A 24 3.961 5.325 -0.253 1.00 0.00 S ATOM 0 H CYS A 24 5.271 4.261 -2.966 1.00 0.00 H new ATOM 0 HA CYS A 24 2.372 4.910 -3.081 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.257 6.926 -2.031 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.559 6.662 -1.688 1.00 0.00 H new ATOM 335 N ARG A 25 3.596 7.257 -4.323 1.00 0.00 N ATOM 336 CA ARG A 25 3.905 8.066 -5.489 1.00 0.00 C ATOM 337 C ARG A 25 3.989 9.544 -5.102 1.00 0.00 C ATOM 338 O ARG A 25 5.051 10.156 -5.202 1.00 0.00 O ATOM 339 CB ARG A 25 2.846 7.892 -6.579 1.00 0.00 C ATOM 340 CG ARG A 25 2.990 8.963 -7.661 1.00 0.00 C ATOM 341 CD ARG A 25 4.456 9.152 -8.054 1.00 0.00 C ATOM 342 NE ARG A 25 5.119 7.837 -8.187 1.00 0.00 N ATOM 343 CZ ARG A 25 6.189 7.608 -8.961 1.00 0.00 C ATOM 344 NH1 ARG A 25 6.722 8.607 -9.676 1.00 0.00 N ATOM 345 NH2 ARG A 25 6.723 6.382 -9.020 1.00 0.00 N ATOM 0 H ARG A 25 3.232 7.779 -3.526 1.00 0.00 H new ATOM 0 HA ARG A 25 4.867 7.732 -5.877 1.00 0.00 H new ATOM 0 HB2 ARG A 25 2.940 6.903 -7.027 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.851 7.949 -6.137 1.00 0.00 H new ATOM 0 HG2 ARG A 25 2.408 8.679 -8.538 1.00 0.00 H new ATOM 0 HG3 ARG A 25 2.582 9.907 -7.300 1.00 0.00 H new ATOM 0 HD2 ARG A 25 4.521 9.698 -8.995 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.968 9.752 -7.302 1.00 0.00 H new ATOM 0 HE ARG A 25 4.738 7.054 -7.656 1.00 0.00 H new ATOM 0 HH11 ARG A 25 6.314 9.541 -9.631 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.536 8.434 -10.265 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.316 5.622 -8.476 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.537 6.208 -9.609 1.00 0.00 H new ATOM 359 N PHE A 26 2.855 10.075 -4.668 1.00 0.00 N ATOM 360 CA PHE A 26 2.786 11.469 -4.265 1.00 0.00 C ATOM 361 C PHE A 26 3.263 11.647 -2.822 1.00 0.00 C ATOM 362 O PHE A 26 4.037 10.836 -2.317 1.00 0.00 O ATOM 363 CB PHE A 26 1.319 11.891 -4.360 1.00 0.00 C ATOM 364 CG PHE A 26 1.114 13.317 -4.874 1.00 0.00 C ATOM 365 CD1 PHE A 26 2.131 14.218 -4.807 1.00 0.00 C ATOM 366 CD2 PHE A 26 -0.088 13.686 -5.396 1.00 0.00 C ATOM 367 CE1 PHE A 26 1.940 15.542 -5.282 1.00 0.00 C ATOM 368 CE2 PHE A 26 -0.278 15.010 -5.872 1.00 0.00 C ATOM 369 CZ PHE A 26 0.739 15.909 -5.806 1.00 0.00 C ATOM 0 H PHE A 26 1.976 9.564 -4.587 1.00 0.00 H new ATOM 0 HA PHE A 26 3.425 12.074 -4.908 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.795 11.199 -5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.861 11.802 -3.375 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.084 13.926 -4.392 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.897 12.972 -5.448 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.747 16.257 -5.228 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.231 15.303 -6.287 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.594 16.916 -6.170 1.00 0.00 H new ATOM 379 N PHE A 27 2.780 12.712 -2.200 1.00 0.00 N ATOM 380 CA PHE A 27 3.146 13.008 -0.825 1.00 0.00 C ATOM 381 C PHE A 27 2.394 12.099 0.150 1.00 0.00 C ATOM 382 O PHE A 27 3.003 11.296 0.852 1.00 0.00 O ATOM 383 CB PHE A 27 2.752 14.462 -0.560 1.00 0.00 C ATOM 384 CG PHE A 27 3.711 15.205 0.374 1.00 0.00 C ATOM 385 CD1 PHE A 27 5.028 15.306 0.055 1.00 0.00 C ATOM 386 CD2 PHE A 27 3.244 15.765 1.523 1.00 0.00 C ATOM 387 CE1 PHE A 27 5.918 15.996 0.922 1.00 0.00 C ATOM 388 CE2 PHE A 27 4.133 16.454 2.388 1.00 0.00 C ATOM 389 CZ PHE A 27 5.452 16.556 2.069 1.00 0.00 C ATOM 0 H PHE A 27 2.137 13.382 -2.623 1.00 0.00 H new ATOM 0 HA PHE A 27 4.214 12.845 -0.680 1.00 0.00 H new ATOM 0 HB2 PHE A 27 2.702 14.993 -1.510 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.751 14.484 -0.129 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.398 14.862 -0.857 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.197 15.685 1.776 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.965 16.075 0.669 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.763 16.898 3.300 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.128 17.082 2.727 1.00 0.00 H new ATOM 399 N ASN A 28 1.079 12.260 0.161 1.00 0.00 N ATOM 400 CA ASN A 28 0.236 11.466 1.038 1.00 0.00 C ATOM 401 C ASN A 28 -1.119 11.237 0.366 1.00 0.00 C ATOM 402 O ASN A 28 -2.104 11.892 0.706 1.00 0.00 O ATOM 403 CB ASN A 28 -0.010 12.185 2.366 1.00 0.00 C ATOM 404 CG ASN A 28 -0.179 11.182 3.510 1.00 0.00 C ATOM 405 OD1 ASN A 28 -0.949 10.239 3.433 1.00 0.00 O ATOM 406 ND2 ASN A 28 0.581 11.439 4.570 1.00 0.00 N ATOM 0 H ASN A 28 0.577 12.928 -0.423 1.00 0.00 H new ATOM 0 HA ASN A 28 0.744 10.521 1.229 1.00 0.00 H new ATOM 0 HB2 ASN A 28 0.825 12.852 2.583 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.902 12.806 2.287 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.541 10.829 5.386 1.00 0.00 H new ATOM 0 HD22 ASN A 28 1.204 12.247 4.567 1.00 0.00 H new ATOM 413 N ALA A 29 -1.128 10.304 -0.576 1.00 0.00 N ATOM 414 CA ALA A 29 -2.345 9.981 -1.299 1.00 0.00 C ATOM 415 C ALA A 29 -2.245 8.557 -1.849 1.00 0.00 C ATOM 416 O ALA A 29 -2.866 7.637 -1.318 1.00 0.00 O ATOM 417 CB ALA A 29 -2.577 11.017 -2.400 1.00 0.00 C ATOM 0 H ALA A 29 -0.310 9.762 -0.855 1.00 0.00 H new ATOM 0 HA ALA A 29 -3.207 10.017 -0.633 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.491 10.773 -2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.673 12.007 -1.954 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.733 11.010 -3.090 1.00 0.00 H new ATOM 423 N PHE A 30 -1.456 8.419 -2.905 1.00 0.00 N ATOM 424 CA PHE A 30 -1.265 7.123 -3.533 1.00 0.00 C ATOM 425 C PHE A 30 -0.180 6.320 -2.813 1.00 0.00 C ATOM 426 O PHE A 30 1.005 6.457 -3.120 1.00 0.00 O ATOM 427 CB PHE A 30 -0.821 7.385 -4.973 1.00 0.00 C ATOM 428 CG PHE A 30 -1.943 7.874 -5.891 1.00 0.00 C ATOM 429 CD1 PHE A 30 -3.180 7.314 -5.811 1.00 0.00 C ATOM 430 CD2 PHE A 30 -1.704 8.867 -6.788 1.00 0.00 C ATOM 431 CE1 PHE A 30 -4.222 7.767 -6.664 1.00 0.00 C ATOM 432 CE2 PHE A 30 -2.745 9.321 -7.640 1.00 0.00 C ATOM 433 CZ PHE A 30 -3.981 8.760 -7.560 1.00 0.00 C ATOM 0 H PHE A 30 -0.942 9.184 -3.341 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.191 6.549 -3.492 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.022 8.126 -4.967 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.402 6.467 -5.386 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.370 6.525 -5.099 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.722 9.311 -6.853 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.204 7.323 -6.600 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.555 10.111 -8.351 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.772 9.104 -8.209 1.00 0.00 H new ATOM 443 N CYS A 31 -0.620 5.501 -1.871 1.00 0.00 N ATOM 444 CA CYS A 31 0.299 4.676 -1.106 1.00 0.00 C ATOM 445 C CYS A 31 -0.416 3.376 -0.734 1.00 0.00 C ATOM 446 O CYS A 31 -1.356 3.386 0.060 1.00 0.00 O ATOM 447 CB CYS A 31 0.826 5.411 0.129 1.00 0.00 C ATOM 448 SG CYS A 31 2.419 4.783 0.773 1.00 0.00 S ATOM 0 H CYS A 31 -1.602 5.390 -1.619 1.00 0.00 H new ATOM 0 HA CYS A 31 1.175 4.446 -1.713 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.940 6.467 -0.115 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.079 5.345 0.920 1.00 0.00 H new ATOM 453 N TYR A 32 0.056 2.288 -1.325 1.00 0.00 N ATOM 454 CA TYR A 32 -0.527 0.982 -1.066 1.00 0.00 C ATOM 455 C TYR A 32 0.521 -0.123 -1.198 1.00 0.00 C ATOM 456 O TYR A 32 1.721 0.150 -1.185 1.00 0.00 O ATOM 457 CB TYR A 32 -1.601 0.781 -2.137 1.00 0.00 C ATOM 458 CG TYR A 32 -1.604 1.854 -3.227 1.00 0.00 C ATOM 459 CD1 TYR A 32 -0.784 1.719 -4.329 1.00 0.00 C ATOM 460 CD2 TYR A 32 -2.424 2.958 -3.109 1.00 0.00 C ATOM 461 CE1 TYR A 32 -0.786 2.729 -5.355 1.00 0.00 C ATOM 462 CE2 TYR A 32 -2.425 3.967 -4.135 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.606 3.803 -5.207 1.00 0.00 C ATOM 464 OH TYR A 32 -1.607 4.758 -6.177 1.00 0.00 O ATOM 0 H TYR A 32 0.836 2.284 -1.983 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.930 0.936 -0.054 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.457 -0.194 -2.602 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.579 0.763 -1.657 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.141 0.856 -4.422 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.065 3.065 -2.246 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.150 2.635 -6.223 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.062 4.835 -4.055 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.317 5.409 -5.995 1.00 0.00 H new ATOM 474 N CYS A 33 0.032 -1.348 -1.324 1.00 0.00 N ATOM 475 CA CYS A 33 0.912 -2.496 -1.459 1.00 0.00 C ATOM 476 C CYS A 33 1.019 -2.847 -2.944 1.00 0.00 C ATOM 477 O CYS A 33 0.017 -3.161 -3.585 1.00 0.00 O ATOM 478 CB CYS A 33 0.427 -3.682 -0.625 1.00 0.00 C ATOM 479 SG CYS A 33 1.651 -4.335 0.567 1.00 0.00 S ATOM 0 H CYS A 33 -0.963 -1.570 -1.335 1.00 0.00 H new ATOM 0 HA CYS A 33 1.901 -2.247 -1.074 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.467 -3.382 -0.078 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.133 -4.486 -1.300 1.00 0.00 H new ATOM 484 N ARG A 34 2.243 -2.782 -3.448 1.00 0.00 N ATOM 485 CA ARG A 34 2.494 -3.090 -4.847 1.00 0.00 C ATOM 486 C ARG A 34 3.294 -4.388 -4.969 1.00 0.00 C ATOM 487 O ARG A 34 4.519 -4.380 -4.848 1.00 0.00 O ATOM 488 CB ARG A 34 3.263 -1.958 -5.530 1.00 0.00 C ATOM 489 CG ARG A 34 2.862 -1.833 -7.001 1.00 0.00 C ATOM 490 CD ARG A 34 2.692 -3.211 -7.642 1.00 0.00 C ATOM 491 NE ARG A 34 3.960 -3.968 -7.558 1.00 0.00 N ATOM 492 CZ ARG A 34 4.036 -5.305 -7.499 1.00 0.00 C ATOM 493 NH1 ARG A 34 2.915 -6.040 -7.513 1.00 0.00 N ATOM 494 NH2 ARG A 34 5.230 -5.906 -7.425 1.00 0.00 N ATOM 0 H ARG A 34 3.071 -2.521 -2.913 1.00 0.00 H new ATOM 0 HA ARG A 34 1.529 -3.207 -5.340 1.00 0.00 H new ATOM 0 HB2 ARG A 34 3.067 -1.018 -5.015 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.334 -2.145 -5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.930 -1.273 -7.081 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.621 -1.268 -7.542 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.897 -3.760 -7.138 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.392 -3.102 -8.684 1.00 0.00 H new ATOM 0 HE ARG A 34 4.832 -3.439 -7.544 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.005 -5.582 -7.569 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.972 -7.057 -7.468 1.00 0.00 H new ATOM 0 HH21 ARG A 34 6.083 -5.346 -7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.287 -6.923 -7.380 1.00 0.00 H new TER 508 ARG A 34