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+ -118:sc= 0.182 (180deg=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -9.49! C(o=-9.5!,f=-6.1!) USER MOD Single : A 12 GLN : amide:sc= -2.11 K(o=-2.1,f=-11!) USER MOD Single : A 21 THR OG1 : rot 180:sc= -3.26! USER MOD Single : A 23 TYR OH : rot -100:sc=0.000128 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 158:sc= -0.956 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -4.131 -7.436 8.051 1.00 0.00 N ATOM 2 CA CYS A 1 -3.202 -7.316 6.941 1.00 0.00 C ATOM 3 C CYS A 1 -3.814 -6.373 5.902 1.00 0.00 C ATOM 4 O CYS A 1 -4.915 -5.860 6.097 1.00 0.00 O ATOM 5 CB CYS A 1 -2.858 -8.680 6.340 1.00 0.00 C ATOM 6 SG CYS A 1 -4.232 -9.492 5.442 1.00 0.00 S ATOM 0 H1 CYS A 1 -3.684 -7.076 8.918 1.00 0.00 H new ATOM 0 H2 CYS A 1 -4.988 -6.883 7.848 1.00 0.00 H new ATOM 0 H3 CYS A 1 -4.387 -8.435 8.183 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.259 -6.901 7.297 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -2.017 -8.559 5.657 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -2.525 -9.341 7.141 1.00 0.00 H new ATOM 11 N VAL A 2 -3.075 -6.175 4.820 1.00 0.00 N ATOM 12 CA VAL A 2 -3.531 -5.303 3.752 1.00 0.00 C ATOM 13 C VAL A 2 -3.247 -5.965 2.402 1.00 0.00 C ATOM 14 O VAL A 2 -2.188 -6.563 2.211 1.00 0.00 O ATOM 15 CB VAL A 2 -2.882 -3.923 3.888 1.00 0.00 C ATOM 16 CG1 VAL A 2 -2.775 -3.230 2.528 1.00 0.00 C ATOM 17 CG2 VAL A 2 -3.648 -3.054 4.888 1.00 0.00 C ATOM 0 H VAL A 2 -2.163 -6.604 4.661 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.608 -5.149 3.820 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.871 -4.064 4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.311 -2.252 2.654 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.167 -3.837 1.857 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.771 -3.107 2.103 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.167 -2.079 4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.675 -2.925 4.546 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.649 -3.538 5.865 1.00 0.00 H new ATOM 27 N ARG A 3 -4.210 -5.837 1.502 1.00 0.00 N ATOM 28 CA ARG A 3 -4.077 -6.417 0.176 1.00 0.00 C ATOM 29 C ARG A 3 -3.272 -5.485 -0.733 1.00 0.00 C ATOM 30 O ARG A 3 -3.062 -4.320 -0.402 1.00 0.00 O ATOM 31 CB ARG A 3 -5.447 -6.673 -0.454 1.00 0.00 C ATOM 32 CG ARG A 3 -5.811 -8.158 -0.393 1.00 0.00 C ATOM 33 CD ARG A 3 -6.807 -8.433 0.736 1.00 0.00 C ATOM 34 NE ARG A 3 -6.226 -8.025 2.035 1.00 0.00 N ATOM 35 CZ ARG A 3 -6.919 -7.957 3.179 1.00 0.00 C ATOM 36 NH1 ARG A 3 -8.222 -8.266 3.193 1.00 0.00 N ATOM 37 NH2 ARG A 3 -6.308 -7.577 4.310 1.00 0.00 N ATOM 0 H ARG A 3 -5.086 -5.340 1.664 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.555 -7.368 0.282 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.205 -6.088 0.066 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.442 -6.339 -1.491 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.240 -8.470 -1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.909 -8.751 -0.240 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.733 -7.888 0.555 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.060 -9.493 0.758 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.236 -7.780 2.060 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.687 -8.553 2.332 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.749 -8.214 4.065 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.316 -7.340 4.299 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.835 -7.525 5.182 1.00 0.00 H new ATOM 51 N LEU A 4 -2.842 -6.034 -1.859 1.00 0.00 N ATOM 52 CA LEU A 4 -2.065 -5.266 -2.816 1.00 0.00 C ATOM 53 C LEU A 4 -2.824 -3.987 -3.174 1.00 0.00 C ATOM 54 O LEU A 4 -2.253 -2.897 -3.157 1.00 0.00 O ATOM 55 CB LEU A 4 -1.707 -6.128 -4.029 1.00 0.00 C ATOM 56 CG LEU A 4 -0.421 -5.749 -4.765 1.00 0.00 C ATOM 57 CD1 LEU A 4 0.381 -6.996 -5.146 1.00 0.00 C ATOM 58 CD2 LEU A 4 -0.722 -4.869 -5.979 1.00 0.00 C ATOM 0 H LEU A 4 -3.017 -7.002 -2.130 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.115 -4.961 -2.378 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.623 -7.164 -3.701 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.534 -6.084 -4.738 1.00 0.00 H new ATOM 0 HG LEU A 4 0.199 -5.162 -4.088 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.290 -6.698 -5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.645 -7.549 -4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.220 -7.630 -5.797 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.210 -4.614 -6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.372 -5.409 -6.668 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.219 -3.956 -5.652 1.00 0.00 H new ATOM 70 N HIS A 5 -4.099 -4.162 -3.489 1.00 0.00 N ATOM 71 CA HIS A 5 -4.942 -3.035 -3.851 1.00 0.00 C ATOM 72 C HIS A 5 -5.584 -2.450 -2.591 1.00 0.00 C ATOM 73 O HIS A 5 -6.782 -2.175 -2.572 1.00 0.00 O ATOM 74 CB HIS A 5 -5.971 -3.443 -4.907 1.00 0.00 C ATOM 75 CG HIS A 5 -6.308 -2.348 -5.891 1.00 0.00 C ATOM 76 ND1 HIS A 5 -7.031 -1.221 -5.540 1.00 0.00 N ATOM 77 CD2 HIS A 5 -6.012 -2.218 -7.217 1.00 0.00 C ATOM 78 CE1 HIS A 5 -7.161 -0.456 -6.614 1.00 0.00 C ATOM 79 NE2 HIS A 5 -6.528 -1.074 -7.651 1.00 0.00 N ATOM 0 H HIS A 5 -4.569 -5.067 -3.501 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.334 -2.252 -4.305 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -5.592 -4.306 -5.455 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -6.885 -3.761 -4.405 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.453 -2.925 -7.812 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -7.678 0.491 -6.660 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -6.462 -0.716 -8.604 1.00 0.00 H new ATOM 88 N GLU A 6 -4.757 -2.278 -1.570 1.00 0.00 N ATOM 89 CA GLU A 6 -5.230 -1.731 -0.310 1.00 0.00 C ATOM 90 C GLU A 6 -4.167 -0.820 0.306 1.00 0.00 C ATOM 91 O GLU A 6 -3.100 -1.284 0.705 1.00 0.00 O ATOM 92 CB GLU A 6 -5.622 -2.848 0.660 1.00 0.00 C ATOM 93 CG GLU A 6 -6.996 -3.422 0.309 1.00 0.00 C ATOM 94 CD GLU A 6 -7.617 -4.134 1.513 1.00 0.00 C ATOM 95 OE1 GLU A 6 -7.427 -3.620 2.636 1.00 0.00 O ATOM 96 OE2 GLU A 6 -8.267 -5.175 1.283 1.00 0.00 O ATOM 0 H GLU A 6 -3.763 -2.508 -1.590 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.121 -1.135 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.874 -3.640 0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.635 -2.462 1.679 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.655 -2.620 -0.023 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.901 -4.121 -0.522 1.00 0.00 H new ATOM 103 N SER A 7 -4.495 0.464 0.362 1.00 0.00 N ATOM 104 CA SER A 7 -3.580 1.445 0.922 1.00 0.00 C ATOM 105 C SER A 7 -2.794 0.828 2.079 1.00 0.00 C ATOM 106 O SER A 7 -3.284 -0.073 2.758 1.00 0.00 O ATOM 107 CB SER A 7 -4.332 2.691 1.396 1.00 0.00 C ATOM 108 OG SER A 7 -3.886 3.128 2.677 1.00 0.00 O ATOM 0 H SER A 7 -5.380 0.847 0.029 1.00 0.00 H new ATOM 0 HA SER A 7 -2.884 1.748 0.140 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.196 3.494 0.671 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.400 2.476 1.438 1.00 0.00 H new ATOM 0 HG SER A 7 -4.389 3.926 2.944 1.00 0.00 H new ATOM 114 N CYS A 8 -1.586 1.337 2.270 1.00 0.00 N ATOM 115 CA CYS A 8 -0.727 0.845 3.335 1.00 0.00 C ATOM 116 C CYS A 8 -0.220 2.047 4.136 1.00 0.00 C ATOM 117 O CYS A 8 0.653 1.904 4.990 1.00 0.00 O ATOM 118 CB CYS A 8 0.426 0.000 2.786 1.00 0.00 C ATOM 119 SG CYS A 8 1.802 -0.275 3.961 1.00 0.00 S ATOM 0 H CYS A 8 -1.181 2.084 1.706 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.296 0.185 3.990 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.033 -0.968 2.476 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.821 0.485 1.893 1.00 0.00 H new ATOM 124 N LEU A 9 -0.790 3.203 3.832 1.00 0.00 N ATOM 125 CA LEU A 9 -0.410 4.429 4.513 1.00 0.00 C ATOM 126 C LEU A 9 -1.072 4.469 5.891 1.00 0.00 C ATOM 127 O LEU A 9 -2.273 4.228 6.014 1.00 0.00 O ATOM 128 CB LEU A 9 -0.726 5.647 3.642 1.00 0.00 C ATOM 129 CG LEU A 9 -1.743 6.636 4.217 1.00 0.00 C ATOM 130 CD1 LEU A 9 -1.066 7.631 5.160 1.00 0.00 C ATOM 131 CD2 LEU A 9 -2.516 7.339 3.100 1.00 0.00 C ATOM 0 H LEU A 9 -1.513 3.317 3.122 1.00 0.00 H new ATOM 0 HA LEU A 9 0.667 4.455 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.204 6.183 3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.096 5.294 2.679 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.469 6.076 4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.810 8.322 5.555 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.599 7.091 5.984 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.305 8.190 4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.232 8.036 3.536 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.820 7.885 2.463 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.048 6.598 2.504 1.00 0.00 H new ATOM 143 N GLY A 10 -0.262 4.774 6.894 1.00 0.00 N ATOM 144 CA GLY A 10 -0.756 4.848 8.258 1.00 0.00 C ATOM 145 C GLY A 10 -1.172 3.466 8.766 1.00 0.00 C ATOM 146 O GLY A 10 -1.880 3.356 9.768 1.00 0.00 O ATOM 0 H GLY A 10 0.733 4.973 6.789 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.017 5.260 8.907 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.607 5.528 8.304 1.00 0.00 H new ATOM 150 N GLN A 11 -0.716 2.447 8.055 1.00 0.00 N ATOM 151 CA GLN A 11 -1.032 1.077 8.422 1.00 0.00 C ATOM 152 C GLN A 11 0.090 0.482 9.275 1.00 0.00 C ATOM 153 O GLN A 11 1.258 0.525 8.889 1.00 0.00 O ATOM 154 CB GLN A 11 -1.287 0.221 7.179 1.00 0.00 C ATOM 155 CG GLN A 11 -0.118 -0.733 6.921 1.00 0.00 C ATOM 156 CD GLN A 11 -0.548 -1.895 6.022 1.00 0.00 C ATOM 157 OE1 GLN A 11 -0.150 -2.007 4.875 1.00 0.00 O ATOM 158 NE2 GLN A 11 -1.379 -2.752 6.607 1.00 0.00 N ATOM 0 H GLN A 11 -0.130 2.542 7.226 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.947 1.083 9.014 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -2.206 -0.351 7.309 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.433 0.866 6.312 1.00 0.00 H new ATOM 0 HG2 GLN A 11 0.703 -0.190 6.452 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.256 -1.120 7.869 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.673 -2.599 7.572 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.722 -3.562 6.091 1.00 0.00 H new ATOM 167 N GLN A 12 -0.302 -0.058 10.419 1.00 0.00 N ATOM 168 CA GLN A 12 0.657 -0.659 11.330 1.00 0.00 C ATOM 169 C GLN A 12 0.719 -2.171 11.113 1.00 0.00 C ATOM 170 O GLN A 12 1.523 -2.859 11.739 1.00 0.00 O ATOM 171 CB GLN A 12 0.313 -0.328 12.784 1.00 0.00 C ATOM 172 CG GLN A 12 1.230 0.768 13.329 1.00 0.00 C ATOM 173 CD GLN A 12 0.990 2.095 12.606 1.00 0.00 C ATOM 174 OE1 GLN A 12 0.361 2.156 11.562 1.00 0.00 O ATOM 175 NE2 GLN A 12 1.522 3.148 13.217 1.00 0.00 N ATOM 0 H GLN A 12 -1.271 -0.092 10.736 1.00 0.00 H new ATOM 0 HA GLN A 12 1.641 -0.240 11.119 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.726 -0.004 12.851 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.408 -1.224 13.397 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.055 0.895 14.397 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.271 0.468 13.210 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.037 3.025 14.089 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.416 4.079 12.814 1.00 0.00 H new ATOM 184 N VAL A 13 -0.140 -2.645 10.223 1.00 0.00 N ATOM 185 CA VAL A 13 -0.193 -4.064 9.914 1.00 0.00 C ATOM 186 C VAL A 13 0.550 -4.323 8.603 1.00 0.00 C ATOM 187 O VAL A 13 0.697 -3.422 7.778 1.00 0.00 O ATOM 188 CB VAL A 13 -1.647 -4.538 9.881 1.00 0.00 C ATOM 189 CG1 VAL A 13 -1.880 -5.661 10.895 1.00 0.00 C ATOM 190 CG2 VAL A 13 -2.610 -3.374 10.121 1.00 0.00 C ATOM 0 H VAL A 13 -0.806 -2.071 9.705 1.00 0.00 H new ATOM 0 HA VAL A 13 0.306 -4.644 10.691 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.847 -4.937 8.886 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.921 -5.980 10.852 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.232 -6.505 10.659 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.653 -5.299 11.898 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.637 -3.739 10.092 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.410 -2.931 11.097 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.471 -2.621 9.345 1.00 0.00 H new ATOM 200 N PRO A 14 1.013 -5.593 8.445 1.00 0.00 N ATOM 201 CA PRO A 14 1.738 -5.983 7.248 1.00 0.00 C ATOM 202 C PRO A 14 0.788 -6.146 6.060 1.00 0.00 C ATOM 203 O PRO A 14 -0.415 -5.917 6.187 1.00 0.00 O ATOM 204 CB PRO A 14 2.450 -7.273 7.622 1.00 0.00 C ATOM 205 CG PRO A 14 1.731 -7.804 8.852 1.00 0.00 C ATOM 206 CD PRO A 14 0.859 -6.686 9.401 1.00 0.00 C ATOM 0 HA PRO A 14 2.455 -5.228 6.925 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.409 -7.993 6.805 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.504 -7.090 7.834 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.123 -8.671 8.594 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.450 -8.131 9.603 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.182 -6.999 9.481 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.180 -6.387 10.399 1.00 0.00 H new ATOM 214 N CYS A 15 1.363 -6.540 4.933 1.00 0.00 N ATOM 215 CA CYS A 15 0.582 -6.737 3.724 1.00 0.00 C ATOM 216 C CYS A 15 0.439 -8.241 3.484 1.00 0.00 C ATOM 217 O CYS A 15 1.434 -8.954 3.377 1.00 0.00 O ATOM 218 CB CYS A 15 1.209 -6.024 2.525 1.00 0.00 C ATOM 219 SG CYS A 15 0.182 -4.694 1.799 1.00 0.00 S ATOM 0 H CYS A 15 2.360 -6.728 4.832 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.407 -6.296 3.850 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.165 -5.599 2.832 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.422 -6.762 1.752 1.00 0.00 H new ATOM 224 N CYS A 16 -0.810 -8.679 3.407 1.00 0.00 N ATOM 225 CA CYS A 16 -1.096 -10.085 3.181 1.00 0.00 C ATOM 226 C CYS A 16 -0.243 -10.567 2.006 1.00 0.00 C ATOM 227 O CYS A 16 0.076 -11.752 1.910 1.00 0.00 O ATOM 228 CB CYS A 16 -2.588 -10.327 2.941 1.00 0.00 C ATOM 229 SG CYS A 16 -3.497 -11.004 4.377 1.00 0.00 S ATOM 0 H CYS A 16 -1.634 -8.085 3.497 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.841 -10.658 4.072 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.052 -9.385 2.647 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.700 -11.013 2.102 1.00 0.00 H new ATOM 234 N ASP A 17 0.101 -9.625 1.141 1.00 0.00 N ATOM 235 CA ASP A 17 0.910 -9.938 -0.024 1.00 0.00 C ATOM 236 C ASP A 17 2.377 -9.626 0.281 1.00 0.00 C ATOM 237 O ASP A 17 2.746 -8.463 0.445 1.00 0.00 O ATOM 238 CB ASP A 17 0.489 -9.099 -1.231 1.00 0.00 C ATOM 239 CG ASP A 17 -0.912 -9.398 -1.768 1.00 0.00 C ATOM 240 OD1 ASP A 17 -1.827 -9.525 -0.928 1.00 0.00 O ATOM 241 OD2 ASP A 17 -1.035 -9.490 -3.009 1.00 0.00 O ATOM 0 H ASP A 17 -0.166 -8.644 1.224 1.00 0.00 H new ATOM 0 HA ASP A 17 0.772 -10.994 -0.255 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.540 -8.045 -0.958 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.210 -9.256 -2.033 1.00 0.00 H new ATOM 246 N PRO A 18 3.195 -10.711 0.349 1.00 0.00 N ATOM 247 CA PRO A 18 4.612 -10.564 0.632 1.00 0.00 C ATOM 248 C PRO A 18 5.361 -10.033 -0.592 1.00 0.00 C ATOM 249 O PRO A 18 6.398 -9.383 -0.457 1.00 0.00 O ATOM 250 CB PRO A 18 5.075 -11.947 1.057 1.00 0.00 C ATOM 251 CG PRO A 18 4.015 -12.913 0.555 1.00 0.00 C ATOM 252 CD PRO A 18 2.792 -12.101 0.161 1.00 0.00 C ATOM 0 HA PRO A 18 4.811 -9.834 1.417 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.050 -12.181 0.630 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.178 -12.009 2.140 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.388 -13.479 -0.298 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.760 -13.636 1.330 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.505 -12.294 -0.873 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.933 -12.352 0.783 1.00 0.00 H new ATOM 260 N ALA A 19 4.809 -10.329 -1.759 1.00 0.00 N ATOM 261 CA ALA A 19 5.413 -9.889 -3.006 1.00 0.00 C ATOM 262 C ALA A 19 4.814 -8.541 -3.411 1.00 0.00 C ATOM 263 O ALA A 19 4.712 -8.234 -4.598 1.00 0.00 O ATOM 264 CB ALA A 19 5.212 -10.962 -4.078 1.00 0.00 C ATOM 0 H ALA A 19 3.950 -10.868 -1.868 1.00 0.00 H new ATOM 0 HA ALA A 19 6.487 -9.749 -2.883 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.665 -10.632 -5.013 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.682 -11.891 -3.755 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.146 -11.129 -4.231 1.00 0.00 H new ATOM 270 N ALA A 20 4.433 -7.771 -2.402 1.00 0.00 N ATOM 271 CA ALA A 20 3.846 -6.464 -2.638 1.00 0.00 C ATOM 272 C ALA A 20 4.884 -5.381 -2.338 1.00 0.00 C ATOM 273 O ALA A 20 5.984 -5.682 -1.874 1.00 0.00 O ATOM 274 CB ALA A 20 2.582 -6.310 -1.790 1.00 0.00 C ATOM 0 H ALA A 20 4.520 -8.028 -1.419 1.00 0.00 H new ATOM 0 HA ALA A 20 3.552 -6.359 -3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.142 -5.329 -1.968 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.865 -7.084 -2.062 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.838 -6.407 -0.735 1.00 0.00 H new ATOM 280 N THR A 21 4.500 -4.144 -2.615 1.00 0.00 N ATOM 281 CA THR A 21 5.386 -3.016 -2.381 1.00 0.00 C ATOM 282 C THR A 21 4.608 -1.845 -1.777 1.00 0.00 C ATOM 283 O THR A 21 4.039 -1.031 -2.504 1.00 0.00 O ATOM 284 CB THR A 21 6.073 -2.671 -3.703 1.00 0.00 C ATOM 285 OG1 THR A 21 5.348 -3.418 -4.677 1.00 0.00 O ATOM 286 CG2 THR A 21 7.495 -3.229 -3.788 1.00 0.00 C ATOM 0 H THR A 21 3.588 -3.898 -2.999 1.00 0.00 H new ATOM 0 HA THR A 21 6.158 -3.264 -1.653 1.00 0.00 H new ATOM 0 HB THR A 21 6.101 -1.588 -3.825 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.727 -3.251 -5.565 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.937 -2.955 -4.746 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.097 -2.815 -2.979 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.466 -4.315 -3.699 1.00 0.00 H new ATOM 294 N CYS A 22 4.607 -1.796 -0.453 1.00 0.00 N ATOM 295 CA CYS A 22 3.908 -0.739 0.257 1.00 0.00 C ATOM 296 C CYS A 22 4.568 0.595 -0.096 1.00 0.00 C ATOM 297 O CYS A 22 5.365 1.122 0.678 1.00 0.00 O ATOM 298 CB CYS A 22 3.893 -0.985 1.767 1.00 0.00 C ATOM 299 SG CYS A 22 3.387 0.455 2.776 1.00 0.00 S ATOM 0 H CYS A 22 5.080 -2.472 0.147 1.00 0.00 H new ATOM 0 HA CYS A 22 2.863 -0.720 -0.052 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.218 -1.814 1.979 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.889 -1.297 2.080 1.00 0.00 H new ATOM 304 N TYR A 23 4.213 1.103 -1.268 1.00 0.00 N ATOM 305 CA TYR A 23 4.761 2.364 -1.734 1.00 0.00 C ATOM 306 C TYR A 23 3.651 3.303 -2.208 1.00 0.00 C ATOM 307 O TYR A 23 2.555 2.856 -2.542 1.00 0.00 O ATOM 308 CB TYR A 23 5.663 2.020 -2.922 1.00 0.00 C ATOM 309 CG TYR A 23 5.923 3.195 -3.866 1.00 0.00 C ATOM 310 CD1 TYR A 23 6.782 4.207 -3.488 1.00 0.00 C ATOM 311 CD2 TYR A 23 5.299 3.243 -5.096 1.00 0.00 C ATOM 312 CE1 TYR A 23 7.028 5.312 -4.378 1.00 0.00 C ATOM 313 CE2 TYR A 23 5.543 4.348 -5.985 1.00 0.00 C ATOM 314 CZ TYR A 23 6.396 5.328 -5.583 1.00 0.00 C ATOM 315 OH TYR A 23 6.627 6.373 -6.423 1.00 0.00 O ATOM 0 H TYR A 23 3.552 0.663 -1.908 1.00 0.00 H new ATOM 0 HA TYR A 23 5.300 2.867 -0.931 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.617 1.651 -2.546 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.208 1.207 -3.487 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.270 4.170 -2.525 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.627 2.451 -5.392 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.699 6.110 -4.096 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.060 4.398 -6.950 1.00 0.00 H new ATOM 0 HH TYR A 23 5.885 7.011 -6.364 1.00 0.00 H new ATOM 325 N CYS A 24 3.971 4.589 -2.222 1.00 0.00 N ATOM 326 CA CYS A 24 3.014 5.595 -2.650 1.00 0.00 C ATOM 327 C CYS A 24 3.533 6.234 -3.938 1.00 0.00 C ATOM 328 O CYS A 24 4.714 6.564 -4.040 1.00 0.00 O ATOM 329 CB CYS A 24 2.760 6.635 -1.558 1.00 0.00 C ATOM 330 SG CYS A 24 3.613 6.307 0.027 1.00 0.00 S ATOM 0 H CYS A 24 4.880 4.957 -1.944 1.00 0.00 H new ATOM 0 HA CYS A 24 2.050 5.125 -2.842 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.072 7.612 -1.927 1.00 0.00 H new ATOM 0 HB3 CYS A 24 1.687 6.692 -1.372 1.00 0.00 H new ATOM 335 N ARG A 25 2.627 6.392 -4.892 1.00 0.00 N ATOM 336 CA ARG A 25 2.978 6.987 -6.169 1.00 0.00 C ATOM 337 C ARG A 25 3.386 8.450 -5.979 1.00 0.00 C ATOM 338 O ARG A 25 4.409 8.886 -6.504 1.00 0.00 O ATOM 339 CB ARG A 25 1.807 6.915 -7.152 1.00 0.00 C ATOM 340 CG ARG A 25 2.169 7.570 -8.487 1.00 0.00 C ATOM 341 CD ARG A 25 2.054 9.093 -8.398 1.00 0.00 C ATOM 342 NE ARG A 25 0.954 9.464 -7.481 1.00 0.00 N ATOM 343 CZ ARG A 25 -0.213 9.988 -7.880 1.00 0.00 C ATOM 344 NH1 ARG A 25 -0.439 10.204 -9.184 1.00 0.00 N ATOM 345 NH2 ARG A 25 -1.154 10.295 -6.977 1.00 0.00 N ATOM 0 H ARG A 25 1.649 6.117 -4.805 1.00 0.00 H new ATOM 0 HA ARG A 25 3.816 6.422 -6.578 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.530 5.874 -7.317 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.937 7.412 -6.723 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.185 7.294 -8.768 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.509 7.197 -9.270 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.993 9.517 -8.043 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.870 9.511 -9.388 1.00 0.00 H new ATOM 0 HE ARG A 25 1.093 9.311 -6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.277 9.969 -9.871 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.327 10.603 -9.488 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.982 10.130 -5.985 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.042 10.694 -7.281 1.00 0.00 H new ATOM 359 N PHE A 26 2.563 9.168 -5.229 1.00 0.00 N ATOM 360 CA PHE A 26 2.823 10.571 -4.962 1.00 0.00 C ATOM 361 C PHE A 26 3.710 10.740 -3.727 1.00 0.00 C ATOM 362 O PHE A 26 4.453 9.830 -3.362 1.00 0.00 O ATOM 363 CB PHE A 26 1.471 11.237 -4.701 1.00 0.00 C ATOM 364 CG PHE A 26 1.375 12.675 -5.216 1.00 0.00 C ATOM 365 CD1 PHE A 26 1.554 12.937 -6.537 1.00 0.00 C ATOM 366 CD2 PHE A 26 1.110 13.690 -4.350 1.00 0.00 C ATOM 367 CE1 PHE A 26 1.464 14.272 -7.014 1.00 0.00 C ATOM 368 CE2 PHE A 26 1.019 15.024 -4.827 1.00 0.00 C ATOM 369 CZ PHE A 26 1.199 15.286 -6.149 1.00 0.00 C ATOM 0 H PHE A 26 1.714 8.803 -4.797 1.00 0.00 H new ATOM 0 HA PHE A 26 3.339 11.020 -5.810 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.688 10.641 -5.170 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.276 11.232 -3.629 1.00 0.00 H new ATOM 0 HD1 PHE A 26 1.765 12.131 -7.224 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.969 13.481 -3.300 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.606 14.481 -8.064 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.807 15.830 -4.140 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.131 16.301 -6.512 1.00 0.00 H new ATOM 379 N PHE A 27 3.601 11.911 -3.115 1.00 0.00 N ATOM 380 CA PHE A 27 4.383 12.210 -1.928 1.00 0.00 C ATOM 381 C PHE A 27 3.787 11.532 -0.693 1.00 0.00 C ATOM 382 O PHE A 27 4.392 10.620 -0.129 1.00 0.00 O ATOM 383 CB PHE A 27 4.337 13.728 -1.732 1.00 0.00 C ATOM 384 CG PHE A 27 5.091 14.219 -0.495 1.00 0.00 C ATOM 385 CD1 PHE A 27 6.439 14.055 -0.411 1.00 0.00 C ATOM 386 CD2 PHE A 27 4.414 14.821 0.518 1.00 0.00 C ATOM 387 CE1 PHE A 27 7.138 14.511 0.737 1.00 0.00 C ATOM 388 CE2 PHE A 27 5.114 15.277 1.667 1.00 0.00 C ATOM 389 CZ PHE A 27 6.462 15.112 1.752 1.00 0.00 C ATOM 0 H PHE A 27 2.983 12.663 -3.419 1.00 0.00 H new ATOM 0 HA PHE A 27 5.403 11.846 -2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.755 14.211 -2.615 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.296 14.043 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.977 13.578 -1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.344 14.953 0.450 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.208 14.380 0.804 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.576 15.755 2.473 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.995 15.458 2.625 1.00 0.00 H new ATOM 399 N ASN A 28 2.610 11.999 -0.310 1.00 0.00 N ATOM 400 CA ASN A 28 1.925 11.448 0.848 1.00 0.00 C ATOM 401 C ASN A 28 0.415 11.482 0.606 1.00 0.00 C ATOM 402 O ASN A 28 -0.290 12.319 1.166 1.00 0.00 O ATOM 403 CB ASN A 28 2.221 12.270 2.104 1.00 0.00 C ATOM 404 CG ASN A 28 2.158 11.395 3.358 1.00 0.00 C ATOM 405 OD1 ASN A 28 1.204 11.422 4.119 1.00 0.00 O ATOM 406 ND2 ASN A 28 3.225 10.619 3.529 1.00 0.00 N ATOM 0 H ASN A 28 2.111 12.754 -0.781 1.00 0.00 H new ATOM 0 HA ASN A 28 2.276 10.426 0.994 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.209 12.724 2.022 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.502 13.085 2.188 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.279 9.997 4.336 1.00 0.00 H new ATOM 0 HD22 ASN A 28 3.989 10.646 2.853 1.00 0.00 H new ATOM 413 N ALA A 29 -0.038 10.558 -0.231 1.00 0.00 N ATOM 414 CA ALA A 29 -1.452 10.472 -0.554 1.00 0.00 C ATOM 415 C ALA A 29 -1.810 9.018 -0.869 1.00 0.00 C ATOM 416 O ALA A 29 -2.276 8.286 0.003 1.00 0.00 O ATOM 417 CB ALA A 29 -1.770 11.415 -1.715 1.00 0.00 C ATOM 0 H ALA A 29 0.549 9.864 -0.694 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.059 10.786 0.295 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.831 11.350 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.525 12.438 -1.430 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.181 11.130 -2.587 1.00 0.00 H new ATOM 423 N PHE A 30 -1.578 8.642 -2.119 1.00 0.00 N ATOM 424 CA PHE A 30 -1.870 7.289 -2.559 1.00 0.00 C ATOM 425 C PHE A 30 -0.713 6.343 -2.230 1.00 0.00 C ATOM 426 O PHE A 30 0.267 6.276 -2.969 1.00 0.00 O ATOM 427 CB PHE A 30 -2.053 7.343 -4.077 1.00 0.00 C ATOM 428 CG PHE A 30 -3.474 7.700 -4.521 1.00 0.00 C ATOM 429 CD1 PHE A 30 -4.543 7.148 -3.889 1.00 0.00 C ATOM 430 CD2 PHE A 30 -3.667 8.571 -5.548 1.00 0.00 C ATOM 431 CE1 PHE A 30 -5.861 7.479 -4.300 1.00 0.00 C ATOM 432 CE2 PHE A 30 -4.984 8.903 -5.959 1.00 0.00 C ATOM 433 CZ PHE A 30 -6.054 8.350 -5.327 1.00 0.00 C ATOM 0 H PHE A 30 -1.191 9.251 -2.840 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.762 6.918 -2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.360 8.075 -4.490 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.784 6.375 -4.500 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.390 6.457 -3.073 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.818 9.010 -6.051 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.710 7.040 -3.798 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.137 9.595 -6.774 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.056 8.602 -5.640 1.00 0.00 H new ATOM 443 N CYS A 31 -0.867 5.636 -1.119 1.00 0.00 N ATOM 444 CA CYS A 31 0.153 4.698 -0.684 1.00 0.00 C ATOM 445 C CYS A 31 -0.513 3.339 -0.452 1.00 0.00 C ATOM 446 O CYS A 31 -1.383 3.209 0.408 1.00 0.00 O ATOM 447 CB CYS A 31 0.884 5.196 0.566 1.00 0.00 C ATOM 448 SG CYS A 31 2.632 4.671 0.692 1.00 0.00 S ATOM 0 H CYS A 31 -1.682 5.694 -0.508 1.00 0.00 H new ATOM 0 HA CYS A 31 0.916 4.602 -1.457 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.844 6.285 0.583 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.349 4.843 1.448 1.00 0.00 H new ATOM 453 N TYR A 32 -0.077 2.363 -1.234 1.00 0.00 N ATOM 454 CA TYR A 32 -0.620 1.019 -1.125 1.00 0.00 C ATOM 455 C TYR A 32 0.453 -0.032 -1.416 1.00 0.00 C ATOM 456 O TYR A 32 1.639 0.291 -1.484 1.00 0.00 O ATOM 457 CB TYR A 32 -1.717 0.918 -2.189 1.00 0.00 C ATOM 458 CG TYR A 32 -1.650 2.014 -3.256 1.00 0.00 C ATOM 459 CD1 TYR A 32 -0.721 1.932 -4.272 1.00 0.00 C ATOM 460 CD2 TYR A 32 -2.521 3.084 -3.200 1.00 0.00 C ATOM 461 CE1 TYR A 32 -0.659 2.963 -5.275 1.00 0.00 C ATOM 462 CE2 TYR A 32 -2.459 4.115 -4.204 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.530 4.003 -5.192 1.00 0.00 C ATOM 464 OH TYR A 32 -1.472 4.977 -6.139 1.00 0.00 O ATOM 0 H TYR A 32 0.645 2.475 -1.945 1.00 0.00 H new ATOM 0 HA TYR A 32 -0.996 0.839 -0.118 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.648 -0.054 -2.676 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.690 0.961 -1.699 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.040 1.095 -4.315 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.248 3.148 -2.404 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.064 2.911 -6.076 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.134 4.957 -4.173 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.331 5.448 -6.177 1.00 0.00 H new ATOM 474 N CYS A 33 0.000 -1.265 -1.582 1.00 0.00 N ATOM 475 CA CYS A 33 0.906 -2.365 -1.865 1.00 0.00 C ATOM 476 C CYS A 33 0.944 -2.580 -3.379 1.00 0.00 C ATOM 477 O CYS A 33 -0.047 -2.997 -3.974 1.00 0.00 O ATOM 478 CB CYS A 33 0.503 -3.637 -1.116 1.00 0.00 C ATOM 479 SG CYS A 33 1.414 -3.933 0.442 1.00 0.00 S ATOM 0 H CYS A 33 -0.984 -1.527 -1.526 1.00 0.00 H new ATOM 0 HA CYS A 33 1.906 -2.116 -1.511 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.563 -3.588 -0.893 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.652 -4.492 -1.775 1.00 0.00 H new ATOM 484 N ARG A 34 2.099 -2.284 -3.959 1.00 0.00 N ATOM 485 CA ARG A 34 2.278 -2.440 -5.391 1.00 0.00 C ATOM 486 C ARG A 34 3.013 -3.747 -5.696 1.00 0.00 C ATOM 487 O ARG A 34 3.100 -4.627 -4.841 1.00 0.00 O ATOM 488 CB ARG A 34 3.071 -1.269 -5.977 1.00 0.00 C ATOM 489 CG ARG A 34 3.527 -1.577 -7.404 1.00 0.00 C ATOM 490 CD ARG A 34 2.329 -1.745 -8.340 1.00 0.00 C ATOM 491 NE ARG A 34 2.566 -2.871 -9.270 1.00 0.00 N ATOM 492 CZ ARG A 34 2.176 -4.132 -9.040 1.00 0.00 C ATOM 493 NH1 ARG A 34 1.528 -4.436 -7.907 1.00 0.00 N ATOM 494 NH2 ARG A 34 2.435 -5.090 -9.940 1.00 0.00 N ATOM 0 H ARG A 34 2.919 -1.937 -3.462 1.00 0.00 H new ATOM 0 HA ARG A 34 1.289 -2.461 -5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.455 -0.370 -5.974 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.939 -1.063 -5.350 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.166 -0.772 -7.767 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.127 -2.487 -7.409 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.426 -1.927 -7.758 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.165 -0.826 -8.903 1.00 0.00 H new ATOM 0 HE ARG A 34 3.058 -2.675 -10.142 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.332 -3.708 -7.220 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.231 -5.396 -7.731 1.00 0.00 H new ATOM 0 HH21 ARG A 34 2.930 -4.860 -10.802 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.137 -6.050 -9.763 1.00 0.00 H new TER 508 ARG A 34