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+ -138:sc= 0.536 (180deg=0.0577) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 SER OG : rot -170:sc= 0.0438 USER MOD Single : A 11 GLN : amide:sc= -8.13! C(o=-8.1!,f=-8.2!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.054) 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= -0.0668 K(o=-0.067,f=-1.4!) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.321 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -3.735 -8.443 7.889 1.00 0.00 N ATOM 2 CA CYS A 1 -2.785 -7.936 6.915 1.00 0.00 C ATOM 3 C CYS A 1 -3.542 -7.052 5.920 1.00 0.00 C ATOM 4 O CYS A 1 -4.772 -7.051 5.896 1.00 0.00 O ATOM 5 CB CYS A 1 -2.034 -9.069 6.212 1.00 0.00 C ATOM 6 SG CYS A 1 -3.083 -10.470 5.680 1.00 0.00 S ATOM 0 H1 CYS A 1 -3.314 -8.400 8.839 1.00 0.00 H new ATOM 0 H2 CYS A 1 -4.598 -7.864 7.866 1.00 0.00 H new ATOM 0 H3 CYS A 1 -3.974 -9.429 7.660 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.024 -7.343 7.422 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -1.526 -8.662 5.338 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -1.262 -9.446 6.883 1.00 0.00 H new ATOM 11 N VAL A 2 -2.777 -6.320 5.124 1.00 0.00 N ATOM 12 CA VAL A 2 -3.359 -5.434 4.132 1.00 0.00 C ATOM 13 C VAL A 2 -3.175 -6.042 2.741 1.00 0.00 C ATOM 14 O VAL A 2 -2.120 -6.597 2.436 1.00 0.00 O ATOM 15 CB VAL A 2 -2.752 -4.035 4.257 1.00 0.00 C ATOM 16 CG1 VAL A 2 -2.568 -3.392 2.883 1.00 0.00 C ATOM 17 CG2 VAL A 2 -3.602 -3.149 5.170 1.00 0.00 C ATOM 0 H VAL A 2 -1.757 -6.323 5.146 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.430 -5.325 4.301 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.767 -4.136 4.712 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.135 -2.399 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.902 -4.008 2.279 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.535 -3.310 2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.149 -2.160 5.242 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.607 -3.059 4.757 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.657 -3.596 6.163 1.00 0.00 H new ATOM 27 N ARG A 3 -4.218 -5.919 1.933 1.00 0.00 N ATOM 28 CA ARG A 3 -4.185 -6.450 0.580 1.00 0.00 C ATOM 29 C ARG A 3 -3.315 -5.567 -0.315 1.00 0.00 C ATOM 30 O ARG A 3 -2.884 -4.490 0.098 1.00 0.00 O ATOM 31 CB ARG A 3 -5.592 -6.537 -0.012 1.00 0.00 C ATOM 32 CG ARG A 3 -6.260 -7.863 0.353 1.00 0.00 C ATOM 33 CD ARG A 3 -7.267 -7.677 1.490 1.00 0.00 C ATOM 34 NE ARG A 3 -6.611 -7.927 2.793 1.00 0.00 N ATOM 35 CZ ARG A 3 -7.261 -8.317 3.899 1.00 0.00 C ATOM 36 NH1 ARG A 3 -8.586 -8.501 3.866 1.00 0.00 N ATOM 37 NH2 ARG A 3 -6.583 -8.521 5.038 1.00 0.00 N ATOM 0 H ARG A 3 -5.092 -5.459 2.189 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.762 -7.453 0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.197 -5.708 0.356 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.541 -6.438 -1.096 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.766 -8.272 -0.522 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.501 -8.587 0.650 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.673 -6.666 1.466 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.106 -8.360 1.359 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.601 -7.794 2.853 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.101 -8.345 3.000 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.081 -8.798 4.707 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.573 -8.379 5.063 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.077 -8.818 5.880 1.00 0.00 H new ATOM 51 N LEU A 4 -3.083 -6.053 -1.525 1.00 0.00 N ATOM 52 CA LEU A 4 -2.272 -5.320 -2.484 1.00 0.00 C ATOM 53 C LEU A 4 -2.986 -4.020 -2.860 1.00 0.00 C ATOM 54 O LEU A 4 -2.374 -2.952 -2.871 1.00 0.00 O ATOM 55 CB LEU A 4 -1.932 -6.204 -3.685 1.00 0.00 C ATOM 56 CG LEU A 4 -0.550 -5.990 -4.306 1.00 0.00 C ATOM 57 CD1 LEU A 4 0.394 -7.142 -3.957 1.00 0.00 C ATOM 58 CD2 LEU A 4 -0.657 -5.774 -5.817 1.00 0.00 C ATOM 0 H LEU A 4 -3.442 -6.945 -1.864 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.315 -5.043 -2.041 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.013 -7.247 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.684 -6.040 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.121 -5.083 -3.880 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.369 -6.964 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.504 -7.207 -2.875 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.018 -8.077 -4.336 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.339 -5.624 -6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.116 -6.649 -6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.270 -4.895 -6.016 1.00 0.00 H new ATOM 70 N HIS A 5 -4.269 -4.152 -3.160 1.00 0.00 N ATOM 71 CA HIS A 5 -5.073 -3.002 -3.537 1.00 0.00 C ATOM 72 C HIS A 5 -5.638 -2.338 -2.280 1.00 0.00 C ATOM 73 O HIS A 5 -6.818 -1.991 -2.234 1.00 0.00 O ATOM 74 CB HIS A 5 -6.158 -3.400 -4.537 1.00 0.00 C ATOM 75 CG HIS A 5 -6.443 -2.352 -5.585 1.00 0.00 C ATOM 76 ND1 HIS A 5 -5.854 -2.365 -6.839 1.00 0.00 N ATOM 77 CD2 HIS A 5 -7.259 -1.259 -5.556 1.00 0.00 C ATOM 78 CE1 HIS A 5 -6.302 -1.322 -7.522 1.00 0.00 C ATOM 79 NE2 HIS A 5 -7.171 -0.638 -6.726 1.00 0.00 N ATOM 0 H HIS A 5 -4.773 -5.039 -3.150 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.448 -2.267 -4.044 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -5.859 -4.323 -5.033 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.078 -3.614 -3.993 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -7.873 -0.951 -4.722 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -6.027 -1.060 -8.533 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -7.672 0.212 -6.986 1.00 0.00 H new ATOM 88 N GLU A 6 -4.772 -2.182 -1.290 1.00 0.00 N ATOM 89 CA GLU A 6 -5.171 -1.566 -0.035 1.00 0.00 C ATOM 90 C GLU A 6 -4.051 -0.671 0.497 1.00 0.00 C ATOM 91 O GLU A 6 -3.033 -1.165 0.979 1.00 0.00 O ATOM 92 CB GLU A 6 -5.562 -2.628 0.997 1.00 0.00 C ATOM 93 CG GLU A 6 -6.994 -3.114 0.766 1.00 0.00 C ATOM 94 CD GLU A 6 -7.553 -3.789 2.021 1.00 0.00 C ATOM 95 OE1 GLU A 6 -6.901 -3.646 3.079 1.00 0.00 O ATOM 96 OE2 GLU A 6 -8.616 -4.430 1.895 1.00 0.00 O ATOM 0 H GLU A 6 -3.795 -2.472 -1.331 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.048 -0.946 -0.220 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.874 -3.471 0.936 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.472 -2.215 2.002 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.628 -2.271 0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.014 -3.815 -0.068 1.00 0.00 H new ATOM 103 N SER A 7 -4.276 0.631 0.391 1.00 0.00 N ATOM 104 CA SER A 7 -3.299 1.600 0.855 1.00 0.00 C ATOM 105 C SER A 7 -2.692 1.137 2.182 1.00 0.00 C ATOM 106 O SER A 7 -3.354 0.461 2.969 1.00 0.00 O ATOM 107 CB SER A 7 -3.929 2.985 1.014 1.00 0.00 C ATOM 108 OG SER A 7 -3.466 3.651 2.186 1.00 0.00 O ATOM 0 H SER A 7 -5.122 1.037 -0.010 1.00 0.00 H new ATOM 0 HA SER A 7 -2.509 1.674 0.107 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.698 3.591 0.138 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.014 2.887 1.057 1.00 0.00 H new ATOM 0 HG SER A 7 -4.003 4.457 2.338 1.00 0.00 H new ATOM 114 N CYS A 8 -1.441 1.521 2.389 1.00 0.00 N ATOM 115 CA CYS A 8 -0.738 1.153 3.608 1.00 0.00 C ATOM 116 C CYS A 8 -0.320 2.438 4.325 1.00 0.00 C ATOM 117 O CYS A 8 0.353 2.386 5.354 1.00 0.00 O ATOM 118 CB CYS A 8 0.457 0.244 3.317 1.00 0.00 C ATOM 119 SG CYS A 8 1.011 0.236 1.574 1.00 0.00 S ATOM 0 H CYS A 8 -0.896 2.082 1.735 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.399 0.576 4.255 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.291 0.552 3.947 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.199 -0.775 3.606 1.00 0.00 H new ATOM 124 N LEU A 9 -0.736 3.559 3.756 1.00 0.00 N ATOM 125 CA LEU A 9 -0.412 4.853 4.329 1.00 0.00 C ATOM 126 C LEU A 9 -1.011 4.949 5.734 1.00 0.00 C ATOM 127 O LEU A 9 -2.229 4.933 5.896 1.00 0.00 O ATOM 128 CB LEU A 9 -0.857 5.980 3.394 1.00 0.00 C ATOM 129 CG LEU A 9 -2.287 6.488 3.590 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.374 7.438 4.785 1.00 0.00 C ATOM 131 CD2 LEU A 9 -2.820 7.130 2.307 1.00 0.00 C ATOM 0 H LEU A 9 -1.295 3.598 2.904 1.00 0.00 H new ATOM 0 HA LEU A 9 0.667 4.963 4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.174 6.820 3.519 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -0.753 5.635 2.365 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.925 5.633 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -3.401 7.784 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.063 6.915 5.689 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -1.720 8.294 4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.838 7.483 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.185 7.971 2.030 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -2.817 6.394 1.503 1.00 0.00 H new ATOM 143 N GLY A 10 -0.125 5.046 6.714 1.00 0.00 N ATOM 144 CA GLY A 10 -0.550 5.142 8.102 1.00 0.00 C ATOM 145 C GLY A 10 -1.065 3.796 8.612 1.00 0.00 C ATOM 146 O GLY A 10 -1.814 3.743 9.586 1.00 0.00 O ATOM 0 H GLY A 10 0.885 5.060 6.576 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.285 5.474 8.719 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.334 5.894 8.195 1.00 0.00 H new ATOM 150 N GLN A 11 -0.645 2.741 7.932 1.00 0.00 N ATOM 151 CA GLN A 11 -1.054 1.398 8.305 1.00 0.00 C ATOM 152 C GLN A 11 -0.246 0.912 9.510 1.00 0.00 C ATOM 153 O GLN A 11 0.777 1.499 9.853 1.00 0.00 O ATOM 154 CB GLN A 11 -0.912 0.433 7.125 1.00 0.00 C ATOM 155 CG GLN A 11 0.457 -0.248 7.135 1.00 0.00 C ATOM 156 CD GLN A 11 0.593 -1.222 5.964 1.00 0.00 C ATOM 157 OE1 GLN A 11 1.572 -1.224 5.235 1.00 0.00 O ATOM 158 NE2 GLN A 11 -0.439 -2.049 5.824 1.00 0.00 N ATOM 0 H GLN A 11 -0.025 2.789 7.124 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.107 1.425 8.585 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.698 -0.321 7.171 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.045 0.975 6.189 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.242 0.506 7.079 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.595 -0.782 8.075 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.227 -1.995 6.469 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.442 -2.738 5.072 1.00 0.00 H new ATOM 167 N GLN A 12 -0.738 -0.157 10.120 1.00 0.00 N ATOM 168 CA GLN A 12 -0.075 -0.729 11.279 1.00 0.00 C ATOM 169 C GLN A 12 0.044 -2.247 11.129 1.00 0.00 C ATOM 170 O GLN A 12 0.642 -2.913 11.971 1.00 0.00 O ATOM 171 CB GLN A 12 -0.813 -0.363 12.570 1.00 0.00 C ATOM 172 CG GLN A 12 0.173 -0.061 13.699 1.00 0.00 C ATOM 173 CD GLN A 12 -0.195 -0.830 14.969 1.00 0.00 C ATOM 174 OE1 GLN A 12 -1.337 -0.861 15.397 1.00 0.00 O ATOM 175 NE2 GLN A 12 0.833 -1.447 15.544 1.00 0.00 N ATOM 0 H GLN A 12 -1.588 -0.642 9.833 1.00 0.00 H new ATOM 0 HA GLN A 12 0.929 -0.310 11.341 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.449 0.505 12.396 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.467 -1.184 12.864 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.182 -0.329 13.387 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.178 1.009 13.906 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.764 -1.379 15.132 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.691 -1.988 16.397 1.00 0.00 H new ATOM 184 N VAL A 13 -0.534 -2.748 10.047 1.00 0.00 N ATOM 185 CA VAL A 13 -0.500 -4.176 9.776 1.00 0.00 C ATOM 186 C VAL A 13 0.284 -4.425 8.485 1.00 0.00 C ATOM 187 O VAL A 13 0.380 -3.544 7.632 1.00 0.00 O ATOM 188 CB VAL A 13 -1.924 -4.733 9.726 1.00 0.00 C ATOM 189 CG1 VAL A 13 -2.156 -5.746 10.849 1.00 0.00 C ATOM 190 CG2 VAL A 13 -2.958 -3.605 9.783 1.00 0.00 C ATOM 0 H VAL A 13 -1.028 -2.192 9.349 1.00 0.00 H new ATOM 0 HA VAL A 13 0.014 -4.706 10.578 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.047 -5.252 8.775 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.176 -6.127 10.791 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.454 -6.573 10.744 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.004 -5.261 11.813 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.961 -4.029 9.746 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.835 -3.045 10.710 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.815 -2.937 8.934 1.00 0.00 H new ATOM 200 N PRO A 14 0.841 -5.662 8.381 1.00 0.00 N ATOM 201 CA PRO A 14 1.614 -6.040 7.211 1.00 0.00 C ATOM 202 C PRO A 14 0.700 -6.312 6.014 1.00 0.00 C ATOM 203 O PRO A 14 -0.515 -6.421 6.169 1.00 0.00 O ATOM 204 CB PRO A 14 2.409 -7.260 7.641 1.00 0.00 C ATOM 205 CG PRO A 14 1.709 -7.799 8.879 1.00 0.00 C ATOM 206 CD PRO A 14 0.748 -6.730 9.373 1.00 0.00 C ATOM 0 HA PRO A 14 2.281 -5.247 6.874 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.434 -8.009 6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.443 -6.995 7.861 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.171 -8.717 8.644 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.437 -8.045 9.652 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.269 -7.115 9.446 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.027 -6.375 10.365 1.00 0.00 H new ATOM 214 N CYS A 15 1.320 -6.414 4.847 1.00 0.00 N ATOM 215 CA CYS A 15 0.577 -6.672 3.626 1.00 0.00 C ATOM 216 C CYS A 15 0.378 -8.184 3.495 1.00 0.00 C ATOM 217 O CYS A 15 1.319 -8.955 3.671 1.00 0.00 O ATOM 218 CB CYS A 15 1.280 -6.082 2.401 1.00 0.00 C ATOM 219 SG CYS A 15 0.535 -4.538 1.759 1.00 0.00 S ATOM 0 H CYS A 15 2.328 -6.323 4.722 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.395 -6.181 3.678 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.322 -5.888 2.656 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.280 -6.827 1.605 1.00 0.00 H new ATOM 224 N CYS A 16 -0.855 -8.560 3.188 1.00 0.00 N ATOM 225 CA CYS A 16 -1.191 -9.966 3.032 1.00 0.00 C ATOM 226 C CYS A 16 -0.224 -10.581 2.020 1.00 0.00 C ATOM 227 O CYS A 16 0.256 -11.697 2.212 1.00 0.00 O ATOM 228 CB CYS A 16 -2.651 -10.156 2.615 1.00 0.00 C ATOM 229 SG CYS A 16 -3.871 -9.889 3.952 1.00 0.00 S ATOM 0 H CYS A 16 -1.633 -7.917 3.043 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.086 -10.476 3.990 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.873 -9.470 1.797 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.775 -11.167 2.226 1.00 0.00 H new ATOM 234 N ASP A 17 0.035 -9.826 0.962 1.00 0.00 N ATOM 235 CA ASP A 17 0.936 -10.283 -0.082 1.00 0.00 C ATOM 236 C ASP A 17 2.375 -9.930 0.301 1.00 0.00 C ATOM 237 O ASP A 17 2.707 -8.756 0.465 1.00 0.00 O ATOM 238 CB ASP A 17 0.623 -9.605 -1.418 1.00 0.00 C ATOM 239 CG ASP A 17 -0.702 -10.022 -2.059 1.00 0.00 C ATOM 240 OD1 ASP A 17 -1.575 -10.498 -1.302 1.00 0.00 O ATOM 241 OD2 ASP A 17 -0.812 -9.857 -3.293 1.00 0.00 O ATOM 0 H ASP A 17 -0.364 -8.900 0.806 1.00 0.00 H new ATOM 0 HA ASP A 17 0.810 -11.361 -0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.613 -8.526 -1.267 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.431 -9.821 -2.116 1.00 0.00 H new ATOM 246 N PRO A 18 3.212 -10.994 0.436 1.00 0.00 N ATOM 247 CA PRO A 18 4.607 -10.807 0.798 1.00 0.00 C ATOM 248 C PRO A 18 5.414 -10.278 -0.389 1.00 0.00 C ATOM 249 O PRO A 18 6.441 -9.627 -0.205 1.00 0.00 O ATOM 250 CB PRO A 18 5.075 -12.171 1.275 1.00 0.00 C ATOM 251 CG PRO A 18 4.069 -13.171 0.730 1.00 0.00 C ATOM 252 CD PRO A 18 2.853 -12.397 0.250 1.00 0.00 C ATOM 0 HA PRO A 18 4.743 -10.059 1.579 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.079 -12.389 0.911 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.115 -12.211 2.364 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.505 -13.743 -0.089 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.785 -13.886 1.502 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.632 -12.614 -0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.965 -12.658 0.825 1.00 0.00 H new ATOM 260 N ALA A 19 4.920 -10.579 -1.581 1.00 0.00 N ATOM 261 CA ALA A 19 5.583 -10.143 -2.799 1.00 0.00 C ATOM 262 C ALA A 19 5.022 -8.783 -3.219 1.00 0.00 C ATOM 263 O ALA A 19 5.003 -8.455 -4.405 1.00 0.00 O ATOM 264 CB ALA A 19 5.409 -11.207 -3.884 1.00 0.00 C ATOM 0 H ALA A 19 4.068 -11.120 -1.730 1.00 0.00 H new ATOM 0 HA ALA A 19 6.653 -10.021 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.906 -10.880 -4.797 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.849 -12.145 -3.547 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.347 -11.355 -4.082 1.00 0.00 H new ATOM 270 N ALA A 20 4.581 -8.027 -2.225 1.00 0.00 N ATOM 271 CA ALA A 20 4.021 -6.710 -2.478 1.00 0.00 C ATOM 272 C ALA A 20 4.976 -5.644 -1.938 1.00 0.00 C ATOM 273 O ALA A 20 5.796 -5.924 -1.065 1.00 0.00 O ATOM 274 CB ALA A 20 2.629 -6.618 -1.850 1.00 0.00 C ATOM 0 H ALA A 20 4.600 -8.301 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 20 3.907 -6.540 -3.549 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.209 -5.630 -2.040 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.982 -7.378 -2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.704 -6.780 -0.775 1.00 0.00 H new ATOM 280 N THR A 21 4.837 -4.442 -2.480 1.00 0.00 N ATOM 281 CA THR A 21 5.677 -3.332 -2.064 1.00 0.00 C ATOM 282 C THR A 21 4.832 -2.077 -1.846 1.00 0.00 C ATOM 283 O THR A 21 4.244 -1.547 -2.787 1.00 0.00 O ATOM 284 CB THR A 21 6.775 -3.150 -3.113 1.00 0.00 C ATOM 285 OG1 THR A 21 7.972 -3.509 -2.430 1.00 0.00 O ATOM 286 CG2 THR A 21 6.988 -1.683 -3.490 1.00 0.00 C ATOM 0 H THR A 21 4.155 -4.213 -3.203 1.00 0.00 H new ATOM 0 HA THR A 21 6.154 -3.535 -1.105 1.00 0.00 H new ATOM 0 HB THR A 21 6.521 -3.721 -4.006 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.735 -3.421 -3.039 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.778 -1.610 -4.238 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.064 -1.274 -3.898 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.275 -1.117 -2.603 1.00 0.00 H new ATOM 294 N CYS A 22 4.796 -1.634 -0.596 1.00 0.00 N ATOM 295 CA CYS A 22 4.033 -0.451 -0.242 1.00 0.00 C ATOM 296 C CYS A 22 4.567 0.727 -1.058 1.00 0.00 C ATOM 297 O CYS A 22 5.420 1.478 -0.587 1.00 0.00 O ATOM 298 CB CYS A 22 4.085 -0.174 1.261 1.00 0.00 C ATOM 299 SG CYS A 22 2.913 1.105 1.846 1.00 0.00 S ATOM 0 H CYS A 22 5.284 -2.075 0.183 1.00 0.00 H new ATOM 0 HA CYS A 22 2.981 -0.609 -0.480 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.884 -1.103 1.795 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.097 0.132 1.525 1.00 0.00 H new ATOM 304 N TYR A 23 4.041 0.854 -2.268 1.00 0.00 N ATOM 305 CA TYR A 23 4.454 1.928 -3.155 1.00 0.00 C ATOM 306 C TYR A 23 3.527 3.137 -3.019 1.00 0.00 C ATOM 307 O TYR A 23 2.320 2.982 -2.834 1.00 0.00 O ATOM 308 CB TYR A 23 4.340 1.370 -4.575 1.00 0.00 C ATOM 309 CG TYR A 23 5.211 2.099 -5.602 1.00 0.00 C ATOM 310 CD1 TYR A 23 4.784 3.293 -6.144 1.00 0.00 C ATOM 311 CD2 TYR A 23 6.423 1.560 -5.984 1.00 0.00 C ATOM 312 CE1 TYR A 23 5.605 3.979 -7.110 1.00 0.00 C ATOM 313 CE2 TYR A 23 7.242 2.246 -6.949 1.00 0.00 C ATOM 314 CZ TYR A 23 6.792 3.422 -7.465 1.00 0.00 C ATOM 315 OH TYR A 23 7.566 4.068 -8.376 1.00 0.00 O ATOM 0 H TYR A 23 3.332 0.231 -2.655 1.00 0.00 H new ATOM 0 HA TYR A 23 5.465 2.257 -2.915 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.616 0.315 -4.563 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.299 1.424 -4.893 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.835 3.714 -5.845 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.757 0.625 -5.559 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.283 4.915 -7.542 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.193 1.836 -7.257 1.00 0.00 H new ATOM 0 HH TYR A 23 8.386 3.554 -8.532 1.00 0.00 H new ATOM 325 N CYS A 24 4.125 4.316 -3.117 1.00 0.00 N ATOM 326 CA CYS A 24 3.369 5.551 -3.007 1.00 0.00 C ATOM 327 C CYS A 24 3.654 6.402 -4.248 1.00 0.00 C ATOM 328 O CYS A 24 4.808 6.713 -4.539 1.00 0.00 O ATOM 329 CB CYS A 24 3.694 6.301 -1.714 1.00 0.00 C ATOM 330 SG CYS A 24 4.313 5.248 -0.351 1.00 0.00 S ATOM 0 H CYS A 24 5.125 4.441 -3.272 1.00 0.00 H new ATOM 0 HA CYS A 24 2.304 5.324 -2.960 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.440 7.065 -1.932 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.797 6.819 -1.375 1.00 0.00 H new ATOM 335 N ARG A 25 2.583 6.752 -4.945 1.00 0.00 N ATOM 336 CA ARG A 25 2.704 7.560 -6.147 1.00 0.00 C ATOM 337 C ARG A 25 3.249 8.948 -5.800 1.00 0.00 C ATOM 338 O ARG A 25 4.311 9.338 -6.280 1.00 0.00 O ATOM 339 CB ARG A 25 1.352 7.709 -6.847 1.00 0.00 C ATOM 340 CG ARG A 25 1.392 8.839 -7.878 1.00 0.00 C ATOM 341 CD ARG A 25 2.630 8.725 -8.769 1.00 0.00 C ATOM 342 NE ARG A 25 2.881 7.306 -9.109 1.00 0.00 N ATOM 343 CZ ARG A 25 3.482 6.898 -10.234 1.00 0.00 C ATOM 344 NH1 ARG A 25 3.900 7.798 -11.135 1.00 0.00 N ATOM 345 NH2 ARG A 25 3.668 5.589 -10.458 1.00 0.00 N ATOM 0 H ARG A 25 1.628 6.491 -4.701 1.00 0.00 H new ATOM 0 HA ARG A 25 3.395 7.053 -6.821 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.087 6.773 -7.338 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.576 7.912 -6.109 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.493 8.807 -8.493 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.395 9.802 -7.367 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.487 9.306 -9.680 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.496 9.143 -8.257 1.00 0.00 H new ATOM 0 HE ARG A 25 2.577 6.594 -8.444 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.760 8.794 -10.964 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.358 7.487 -11.992 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.352 4.904 -9.771 1.00 0.00 H new ATOM 0 HH22 ARG A 25 4.126 5.278 -11.315 1.00 0.00 H new ATOM 359 N PHE A 26 2.494 9.654 -4.970 1.00 0.00 N ATOM 360 CA PHE A 26 2.887 10.989 -4.555 1.00 0.00 C ATOM 361 C PHE A 26 3.672 10.947 -3.242 1.00 0.00 C ATOM 362 O PHE A 26 4.266 9.925 -2.904 1.00 0.00 O ATOM 363 CB PHE A 26 1.601 11.788 -4.341 1.00 0.00 C ATOM 364 CG PHE A 26 1.695 13.250 -4.780 1.00 0.00 C ATOM 365 CD1 PHE A 26 2.911 13.846 -4.902 1.00 0.00 C ATOM 366 CD2 PHE A 26 0.564 13.955 -5.046 1.00 0.00 C ATOM 367 CE1 PHE A 26 3.000 15.203 -5.310 1.00 0.00 C ATOM 368 CE2 PHE A 26 0.651 15.312 -5.453 1.00 0.00 C ATOM 369 CZ PHE A 26 1.868 15.908 -5.576 1.00 0.00 C ATOM 0 H PHE A 26 1.613 9.326 -4.574 1.00 0.00 H new ATOM 0 HA PHE A 26 3.525 11.441 -5.314 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.791 11.306 -4.889 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.336 11.753 -3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.810 13.287 -4.688 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.402 13.482 -4.948 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.966 15.675 -5.409 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.248 15.871 -5.665 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.935 16.941 -5.885 1.00 0.00 H new ATOM 379 N PHE A 27 3.648 12.068 -2.539 1.00 0.00 N ATOM 380 CA PHE A 27 4.349 12.173 -1.271 1.00 0.00 C ATOM 381 C PHE A 27 3.575 11.467 -0.156 1.00 0.00 C ATOM 382 O PHE A 27 4.051 10.483 0.407 1.00 0.00 O ATOM 383 CB PHE A 27 4.456 13.662 -0.938 1.00 0.00 C ATOM 384 CG PHE A 27 5.808 14.075 -0.353 1.00 0.00 C ATOM 385 CD1 PHE A 27 6.838 14.392 -1.183 1.00 0.00 C ATOM 386 CD2 PHE A 27 5.978 14.125 0.994 1.00 0.00 C ATOM 387 CE1 PHE A 27 8.094 14.775 -0.640 1.00 0.00 C ATOM 388 CE2 PHE A 27 7.235 14.508 1.538 1.00 0.00 C ATOM 389 CZ PHE A 27 8.264 14.826 0.708 1.00 0.00 C ATOM 0 H PHE A 27 3.153 12.913 -2.824 1.00 0.00 H new ATOM 0 HA PHE A 27 5.330 11.704 -1.350 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.272 14.240 -1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.670 13.922 -0.229 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.701 14.353 -2.254 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.159 13.874 1.651 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.913 15.025 -1.298 1.00 0.00 H new ATOM 0 HE2 PHE A 27 7.372 14.546 2.609 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.218 15.120 1.120 1.00 0.00 H new ATOM 399 N ASN A 28 2.395 11.998 0.129 1.00 0.00 N ATOM 400 CA ASN A 28 1.550 11.431 1.166 1.00 0.00 C ATOM 401 C ASN A 28 0.082 11.599 0.768 1.00 0.00 C ATOM 402 O ASN A 28 -0.609 12.476 1.286 1.00 0.00 O ATOM 403 CB ASN A 28 1.764 12.147 2.501 1.00 0.00 C ATOM 404 CG ASN A 28 1.533 11.195 3.677 1.00 0.00 C ATOM 405 OD1 ASN A 28 1.096 10.067 3.518 1.00 0.00 O ATOM 406 ND2 ASN A 28 1.852 11.709 4.860 1.00 0.00 N ATOM 0 H ASN A 28 2.004 12.815 -0.340 1.00 0.00 H new ATOM 0 HA ASN A 28 1.809 10.378 1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.777 12.546 2.545 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.084 12.995 2.576 1.00 0.00 H new ATOM 0 HD21 ASN A 28 1.736 11.152 5.706 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.213 12.661 4.922 1.00 0.00 H new ATOM 413 N ALA A 29 -0.352 10.744 -0.145 1.00 0.00 N ATOM 414 CA ALA A 29 -1.725 10.785 -0.618 1.00 0.00 C ATOM 415 C ALA A 29 -2.113 9.410 -1.165 1.00 0.00 C ATOM 416 O ALA A 29 -3.231 8.945 -0.949 1.00 0.00 O ATOM 417 CB ALA A 29 -1.872 11.891 -1.664 1.00 0.00 C ATOM 0 H ALA A 29 0.224 10.017 -0.571 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.406 11.018 0.201 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.902 11.922 -2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.613 12.851 -1.217 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.205 11.690 -2.503 1.00 0.00 H new ATOM 423 N PHE A 30 -1.169 8.799 -1.864 1.00 0.00 N ATOM 424 CA PHE A 30 -1.398 7.486 -2.444 1.00 0.00 C ATOM 425 C PHE A 30 -0.242 6.536 -2.125 1.00 0.00 C ATOM 426 O PHE A 30 0.867 6.710 -2.628 1.00 0.00 O ATOM 427 CB PHE A 30 -1.483 7.676 -3.958 1.00 0.00 C ATOM 428 CG PHE A 30 -2.894 7.513 -4.528 1.00 0.00 C ATOM 429 CD1 PHE A 30 -3.942 8.149 -3.939 1.00 0.00 C ATOM 430 CD2 PHE A 30 -3.101 6.732 -5.624 1.00 0.00 C ATOM 431 CE1 PHE A 30 -5.252 7.998 -4.467 1.00 0.00 C ATOM 432 CE2 PHE A 30 -4.410 6.582 -6.151 1.00 0.00 C ATOM 433 CZ PHE A 30 -5.458 7.218 -5.563 1.00 0.00 C ATOM 0 H PHE A 30 -0.243 9.188 -2.042 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.311 7.053 -2.036 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.113 8.670 -4.210 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.822 6.957 -4.442 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.778 8.769 -3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.269 6.227 -6.092 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.084 8.502 -3.999 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.574 5.962 -7.020 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.454 7.104 -5.966 1.00 0.00 H new ATOM 443 N CYS A 31 -0.542 5.551 -1.289 1.00 0.00 N ATOM 444 CA CYS A 31 0.459 4.573 -0.897 1.00 0.00 C ATOM 445 C CYS A 31 -0.243 3.235 -0.661 1.00 0.00 C ATOM 446 O CYS A 31 -1.032 3.099 0.272 1.00 0.00 O ATOM 447 CB CYS A 31 1.245 5.030 0.333 1.00 0.00 C ATOM 448 SG CYS A 31 2.896 4.259 0.520 1.00 0.00 S ATOM 0 H CYS A 31 -1.463 5.410 -0.873 1.00 0.00 H new ATOM 0 HA CYS A 31 1.193 4.461 -1.695 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.368 6.112 0.287 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.656 4.814 1.224 1.00 0.00 H new ATOM 453 N TYR A 32 0.068 2.279 -1.525 1.00 0.00 N ATOM 454 CA TYR A 32 -0.524 0.956 -1.422 1.00 0.00 C ATOM 455 C TYR A 32 0.465 -0.123 -1.869 1.00 0.00 C ATOM 456 O TYR A 32 1.535 0.188 -2.390 1.00 0.00 O ATOM 457 CB TYR A 32 -1.724 0.956 -2.370 1.00 0.00 C ATOM 458 CG TYR A 32 -1.573 1.902 -3.563 1.00 0.00 C ATOM 459 CD1 TYR A 32 -1.776 3.257 -3.400 1.00 0.00 C ATOM 460 CD2 TYR A 32 -1.236 1.399 -4.804 1.00 0.00 C ATOM 461 CE1 TYR A 32 -1.634 4.147 -4.524 1.00 0.00 C ATOM 462 CE2 TYR A 32 -1.094 2.289 -5.927 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.301 3.619 -5.731 1.00 0.00 C ATOM 464 OH TYR A 32 -1.167 4.459 -6.793 1.00 0.00 O ATOM 0 H TYR A 32 0.722 2.395 -2.299 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.806 0.741 -0.391 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.882 -0.057 -2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.617 1.233 -1.810 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.041 3.650 -2.430 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.079 0.338 -4.932 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.789 5.210 -4.410 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.829 1.909 -6.903 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.925 3.943 -7.590 1.00 0.00 H new ATOM 474 N CYS A 33 0.071 -1.369 -1.649 1.00 0.00 N ATOM 475 CA CYS A 33 0.908 -2.496 -2.024 1.00 0.00 C ATOM 476 C CYS A 33 0.799 -2.694 -3.537 1.00 0.00 C ATOM 477 O CYS A 33 -0.300 -2.836 -4.070 1.00 0.00 O ATOM 478 CB CYS A 33 0.531 -3.762 -1.254 1.00 0.00 C ATOM 479 SG CYS A 33 1.640 -4.172 0.141 1.00 0.00 S ATOM 0 H CYS A 33 -0.817 -1.623 -1.216 1.00 0.00 H new ATOM 0 HA CYS A 33 1.944 -2.285 -1.760 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.484 -3.649 -0.872 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.518 -4.602 -1.948 1.00 0.00 H new ATOM 484 N ARG A 34 1.954 -2.696 -4.186 1.00 0.00 N ATOM 485 CA ARG A 34 2.002 -2.875 -5.628 1.00 0.00 C ATOM 486 C ARG A 34 3.247 -3.671 -6.023 1.00 0.00 C ATOM 487 O ARG A 34 3.974 -4.164 -5.160 1.00 0.00 O ATOM 488 CB ARG A 34 2.018 -1.527 -6.349 1.00 0.00 C ATOM 489 CG ARG A 34 2.313 -1.705 -7.839 1.00 0.00 C ATOM 490 CD ARG A 34 1.160 -2.421 -8.546 1.00 0.00 C ATOM 491 NE ARG A 34 1.692 -3.336 -9.580 1.00 0.00 N ATOM 492 CZ ARG A 34 2.038 -4.611 -9.350 1.00 0.00 C ATOM 493 NH1 ARG A 34 1.911 -5.128 -8.120 1.00 0.00 N ATOM 494 NH2 ARG A 34 2.510 -5.368 -10.349 1.00 0.00 N ATOM 0 H ARG A 34 2.864 -2.577 -3.740 1.00 0.00 H new ATOM 0 HA ARG A 34 1.107 -3.423 -5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.056 -1.031 -6.222 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.772 -0.880 -5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 34 2.477 -0.731 -8.299 1.00 0.00 H new ATOM 0 HG3 ARG A 34 3.232 -2.277 -7.965 1.00 0.00 H new ATOM 0 HD2 ARG A 34 0.570 -2.982 -7.821 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.493 -1.690 -9.003 1.00 0.00 H new ATOM 0 HE ARG A 34 1.802 -2.974 -10.527 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.551 -4.552 -7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.174 -6.098 -7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.606 -4.975 -11.285 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.773 -6.338 -10.174 1.00 0.00 H new