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+ -163:sc= -0.0473 (180deg=-0.387) 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= 0.128 USER MOD Single : A 11 GLN : amide:sc= -8.78! C(o=-8.8!,f=-6.5!) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 THR OG1 : rot 130:sc= -2.9! USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.0134 X(o=-0.013,f=0) USER MOD Single : A 32 TYR OH : rot 165:sc= -0.0615 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -2.737 -8.346 8.170 1.00 0.00 N ATOM 2 CA CYS A 1 -2.081 -7.973 6.929 1.00 0.00 C ATOM 3 C CYS A 1 -3.094 -7.230 6.054 1.00 0.00 C ATOM 4 O CYS A 1 -4.297 -7.459 6.162 1.00 0.00 O ATOM 5 CB CYS A 1 -1.493 -9.190 6.210 1.00 0.00 C ATOM 6 SG CYS A 1 -2.726 -10.426 5.660 1.00 0.00 S ATOM 0 H1 CYS A 1 -2.019 -8.586 8.883 1.00 0.00 H new ATOM 0 H2 CYS A 1 -3.312 -7.550 8.512 1.00 0.00 H new ATOM 0 H3 CYS A 1 -3.350 -9.170 8.005 1.00 0.00 H new ATOM 0 HA CYS A 1 -1.237 -7.318 7.145 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -0.932 -8.845 5.341 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -0.781 -9.679 6.875 1.00 0.00 H new ATOM 11 N VAL A 2 -2.569 -6.355 5.209 1.00 0.00 N ATOM 12 CA VAL A 2 -3.412 -5.576 4.318 1.00 0.00 C ATOM 13 C VAL A 2 -3.375 -6.194 2.918 1.00 0.00 C ATOM 14 O VAL A 2 -2.535 -7.048 2.635 1.00 0.00 O ATOM 15 CB VAL A 2 -2.979 -4.109 4.336 1.00 0.00 C ATOM 16 CG1 VAL A 2 -2.508 -3.660 2.951 1.00 0.00 C ATOM 17 CG2 VAL A 2 -4.105 -3.211 4.852 1.00 0.00 C ATOM 0 H VAL A 2 -1.570 -6.168 5.122 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.448 -5.598 4.656 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.137 -4.016 5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.206 -2.614 2.991 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -1.661 -4.271 2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -3.322 -3.776 2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -3.771 -2.174 4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.976 -3.310 4.204 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -4.372 -3.509 5.866 1.00 0.00 H new ATOM 27 N ARG A 3 -4.294 -5.739 2.081 1.00 0.00 N ATOM 28 CA ARG A 3 -4.377 -6.235 0.717 1.00 0.00 C ATOM 29 C ARG A 3 -3.418 -5.461 -0.189 1.00 0.00 C ATOM 30 O ARG A 3 -2.890 -4.421 0.205 1.00 0.00 O ATOM 31 CB ARG A 3 -5.800 -6.109 0.170 1.00 0.00 C ATOM 32 CG ARG A 3 -6.759 -7.036 0.918 1.00 0.00 C ATOM 33 CD ARG A 3 -7.131 -6.456 2.284 1.00 0.00 C ATOM 34 NE ARG A 3 -6.418 -7.184 3.357 1.00 0.00 N ATOM 35 CZ ARG A 3 -6.892 -8.278 3.966 1.00 0.00 C ATOM 36 NH1 ARG A 3 -8.085 -8.777 3.613 1.00 0.00 N ATOM 37 NH2 ARG A 3 -6.174 -8.874 4.929 1.00 0.00 N ATOM 0 H ARG A 3 -4.989 -5.032 2.320 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.098 -7.289 0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.139 -5.077 0.263 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.808 -6.352 -0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.661 -7.186 0.325 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.297 -8.014 1.048 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.875 -5.397 2.320 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.208 -6.529 2.438 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.508 -6.830 3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.631 -8.323 2.881 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.447 -9.610 4.077 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.266 -8.494 5.198 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.535 -9.707 5.393 1.00 0.00 H new ATOM 51 N LEU A 4 -3.222 -5.996 -1.385 1.00 0.00 N ATOM 52 CA LEU A 4 -2.337 -5.368 -2.350 1.00 0.00 C ATOM 53 C LEU A 4 -2.934 -4.029 -2.789 1.00 0.00 C ATOM 54 O LEU A 4 -2.321 -2.980 -2.601 1.00 0.00 O ATOM 55 CB LEU A 4 -2.047 -6.322 -3.511 1.00 0.00 C ATOM 56 CG LEU A 4 -0.649 -6.224 -4.126 1.00 0.00 C ATOM 57 CD1 LEU A 4 0.031 -7.594 -4.162 1.00 0.00 C ATOM 58 CD2 LEU A 4 -0.703 -5.575 -5.510 1.00 0.00 C ATOM 0 H LEU A 4 -3.661 -6.858 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.370 -5.152 -1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -2.198 -7.344 -3.162 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.781 -6.141 -4.296 1.00 0.00 H new ATOM 0 HG LEU A 4 -0.041 -5.579 -3.491 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.023 -7.496 -4.604 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.122 -7.982 -3.147 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.567 -8.281 -4.761 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.303 -5.518 -5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.333 -6.173 -6.168 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.118 -4.571 -5.425 1.00 0.00 H new ATOM 70 N HIS A 5 -4.126 -4.110 -3.365 1.00 0.00 N ATOM 71 CA HIS A 5 -4.813 -2.919 -3.831 1.00 0.00 C ATOM 72 C HIS A 5 -5.557 -2.265 -2.664 1.00 0.00 C ATOM 73 O HIS A 5 -6.741 -1.952 -2.775 1.00 0.00 O ATOM 74 CB HIS A 5 -5.732 -3.246 -5.009 1.00 0.00 C ATOM 75 CG HIS A 5 -5.247 -2.710 -6.335 1.00 0.00 C ATOM 76 ND1 HIS A 5 -4.520 -3.471 -7.232 1.00 0.00 N ATOM 77 CD2 HIS A 5 -5.394 -1.478 -6.904 1.00 0.00 C ATOM 78 CE1 HIS A 5 -4.246 -2.721 -8.291 1.00 0.00 C ATOM 79 NE2 HIS A 5 -4.788 -1.487 -8.085 1.00 0.00 N ATOM 0 H HIS A 5 -4.632 -4.982 -3.519 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.084 -2.198 -4.203 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -5.839 -4.328 -5.084 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -6.723 -2.841 -4.806 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -5.915 -0.639 -6.468 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -3.691 -3.033 -9.163 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -4.736 -0.700 -8.732 1.00 0.00 H new ATOM 88 N GLU A 6 -4.830 -2.079 -1.571 1.00 0.00 N ATOM 89 CA GLU A 6 -5.407 -1.468 -0.386 1.00 0.00 C ATOM 90 C GLU A 6 -4.387 -0.547 0.286 1.00 0.00 C ATOM 91 O GLU A 6 -3.377 -1.012 0.813 1.00 0.00 O ATOM 92 CB GLU A 6 -5.910 -2.534 0.590 1.00 0.00 C ATOM 93 CG GLU A 6 -7.333 -2.972 0.239 1.00 0.00 C ATOM 94 CD GLU A 6 -8.053 -3.532 1.466 1.00 0.00 C ATOM 95 OE1 GLU A 6 -7.685 -3.107 2.583 1.00 0.00 O ATOM 96 OE2 GLU A 6 -8.956 -4.371 1.261 1.00 0.00 O ATOM 0 H GLU A 6 -3.848 -2.340 -1.482 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.264 -0.868 -0.691 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.244 -3.397 0.567 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.887 -2.141 1.606 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.891 -2.124 -0.159 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -7.301 -3.728 -0.545 1.00 0.00 H new ATOM 103 N SER A 7 -4.685 0.743 0.245 1.00 0.00 N ATOM 104 CA SER A 7 -3.807 1.734 0.844 1.00 0.00 C ATOM 105 C SER A 7 -3.266 1.216 2.178 1.00 0.00 C ATOM 106 O SER A 7 -3.882 0.360 2.811 1.00 0.00 O ATOM 107 CB SER A 7 -4.533 3.065 1.046 1.00 0.00 C ATOM 108 OG SER A 7 -4.109 3.729 2.233 1.00 0.00 O ATOM 0 H SER A 7 -5.523 1.125 -0.194 1.00 0.00 H new ATOM 0 HA SER A 7 -2.973 1.907 0.164 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.354 3.710 0.186 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.608 2.888 1.093 1.00 0.00 H new ATOM 0 HG SER A 7 -4.594 4.575 2.325 1.00 0.00 H new ATOM 114 N CYS A 8 -2.121 1.759 2.566 1.00 0.00 N ATOM 115 CA CYS A 8 -1.491 1.362 3.815 1.00 0.00 C ATOM 116 C CYS A 8 -1.185 2.626 4.622 1.00 0.00 C ATOM 117 O CYS A 8 -0.549 2.558 5.672 1.00 0.00 O ATOM 118 CB CYS A 8 -0.236 0.521 3.573 1.00 0.00 C ATOM 119 SG CYS A 8 0.462 0.653 1.887 1.00 0.00 S ATOM 0 H CYS A 8 -1.614 2.470 2.039 1.00 0.00 H new ATOM 0 HA CYS A 8 -2.171 0.726 4.382 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.528 0.818 4.292 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.472 -0.524 3.773 1.00 0.00 H new ATOM 124 N LEU A 9 -1.651 3.750 4.099 1.00 0.00 N ATOM 125 CA LEU A 9 -1.436 5.028 4.756 1.00 0.00 C ATOM 126 C LEU A 9 -1.677 4.870 6.259 1.00 0.00 C ATOM 127 O LEU A 9 -2.816 4.923 6.718 1.00 0.00 O ATOM 128 CB LEU A 9 -2.293 6.116 4.107 1.00 0.00 C ATOM 129 CG LEU A 9 -1.804 6.637 2.755 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.690 7.780 2.255 1.00 0.00 C ATOM 131 CD2 LEU A 9 -0.330 7.041 2.823 1.00 0.00 C ATOM 0 H LEU A 9 -2.177 3.802 3.227 1.00 0.00 H new ATOM 0 HA LEU A 9 -0.403 5.352 4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.304 5.727 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -2.359 6.958 4.796 1.00 0.00 H new ATOM 0 HG LEU A 9 -1.882 5.828 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.320 8.132 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.714 7.424 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.667 8.599 2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.008 7.408 1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.202 7.827 3.567 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.272 6.176 3.102 1.00 0.00 H new ATOM 143 N GLY A 10 -0.584 4.678 6.984 1.00 0.00 N ATOM 144 CA GLY A 10 -0.662 4.511 8.425 1.00 0.00 C ATOM 145 C GLY A 10 -1.193 3.123 8.789 1.00 0.00 C ATOM 146 O GLY A 10 -2.043 2.990 9.668 1.00 0.00 O ATOM 0 H GLY A 10 0.360 4.634 6.600 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.325 4.653 8.865 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.313 5.276 8.848 1.00 0.00 H new ATOM 150 N GLN A 11 -0.671 2.123 8.094 1.00 0.00 N ATOM 151 CA GLN A 11 -1.081 0.750 8.333 1.00 0.00 C ATOM 152 C GLN A 11 -0.245 0.133 9.456 1.00 0.00 C ATOM 153 O GLN A 11 0.959 0.376 9.544 1.00 0.00 O ATOM 154 CB GLN A 11 -0.981 -0.082 7.053 1.00 0.00 C ATOM 155 CG GLN A 11 0.375 -0.786 6.961 1.00 0.00 C ATOM 156 CD GLN A 11 0.489 -1.590 5.665 1.00 0.00 C ATOM 157 OE1 GLN A 11 1.478 -1.533 4.954 1.00 0.00 O ATOM 158 NE2 GLN A 11 -0.576 -2.340 5.398 1.00 0.00 N ATOM 0 H GLN A 11 0.033 2.237 7.365 1.00 0.00 H new ATOM 0 HA GLN A 11 -2.125 0.752 8.645 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.781 -0.822 7.033 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -1.120 0.562 6.185 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.176 -0.048 7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 11 0.503 -1.449 7.817 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.372 -2.342 6.036 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -0.597 -2.914 4.555 1.00 0.00 H new ATOM 167 N GLN A 12 -0.914 -0.654 10.285 1.00 0.00 N ATOM 168 CA GLN A 12 -0.246 -1.307 11.399 1.00 0.00 C ATOM 169 C GLN A 12 0.146 -2.736 11.017 1.00 0.00 C ATOM 170 O GLN A 12 1.006 -3.339 11.658 1.00 0.00 O ATOM 171 CB GLN A 12 -1.127 -1.295 12.649 1.00 0.00 C ATOM 172 CG GLN A 12 -0.770 -0.119 13.561 1.00 0.00 C ATOM 173 CD GLN A 12 -0.970 -0.486 15.032 1.00 0.00 C ATOM 174 OE1 GLN A 12 -2.022 -0.278 15.613 1.00 0.00 O ATOM 175 NE2 GLN A 12 0.097 -1.042 15.601 1.00 0.00 N ATOM 0 H GLN A 12 -1.911 -0.855 10.208 1.00 0.00 H new ATOM 0 HA GLN A 12 0.663 -0.751 11.630 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.176 -1.229 12.359 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.005 -2.232 13.193 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.266 0.174 13.393 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -1.390 0.742 13.310 1.00 0.00 H new ATOM 0 HE21 GLN A 12 0.947 -1.188 15.057 1.00 0.00 H new ATOM 0 HE22 GLN A 12 0.064 -1.322 16.581 1.00 0.00 H new ATOM 184 N VAL A 13 -0.504 -3.237 9.978 1.00 0.00 N ATOM 185 CA VAL A 13 -0.234 -4.584 9.504 1.00 0.00 C ATOM 186 C VAL A 13 0.462 -4.511 8.144 1.00 0.00 C ATOM 187 O VAL A 13 0.252 -3.568 7.384 1.00 0.00 O ATOM 188 CB VAL A 13 -1.531 -5.396 9.470 1.00 0.00 C ATOM 189 CG1 VAL A 13 -1.506 -6.513 10.515 1.00 0.00 C ATOM 190 CG2 VAL A 13 -2.750 -4.491 9.662 1.00 0.00 C ATOM 0 H VAL A 13 -1.218 -2.734 9.450 1.00 0.00 H new ATOM 0 HA VAL A 13 0.440 -5.102 10.186 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.610 -5.860 8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.439 -7.075 10.470 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.670 -7.182 10.313 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -1.391 -6.079 11.508 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.658 -5.093 9.634 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.680 -3.985 10.625 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.782 -3.749 8.864 1.00 0.00 H new ATOM 200 N PRO A 14 1.299 -5.547 7.870 1.00 0.00 N ATOM 201 CA PRO A 14 2.028 -5.610 6.615 1.00 0.00 C ATOM 202 C PRO A 14 1.102 -6.008 5.463 1.00 0.00 C ATOM 203 O PRO A 14 -0.108 -6.126 5.647 1.00 0.00 O ATOM 204 CB PRO A 14 3.142 -6.615 6.856 1.00 0.00 C ATOM 205 CG PRO A 14 2.721 -7.420 8.075 1.00 0.00 C ATOM 206 CD PRO A 14 1.572 -6.683 8.746 1.00 0.00 C ATOM 0 HA PRO A 14 2.439 -4.645 6.318 1.00 0.00 H new ATOM 0 HB2 PRO A 14 3.279 -7.262 5.989 1.00 0.00 H new ATOM 0 HB3 PRO A 14 4.092 -6.110 7.030 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.412 -8.423 7.782 1.00 0.00 H new ATOM 0 HG3 PRO A 14 3.557 -7.533 8.765 1.00 0.00 H new ATOM 0 HD2 PRO A 14 0.696 -7.324 8.848 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.845 -6.354 9.749 1.00 0.00 H new ATOM 214 N CYS A 15 1.708 -6.206 4.300 1.00 0.00 N ATOM 215 CA CYS A 15 0.953 -6.589 3.120 1.00 0.00 C ATOM 216 C CYS A 15 0.727 -8.101 3.162 1.00 0.00 C ATOM 217 O CYS A 15 1.666 -8.867 3.381 1.00 0.00 O ATOM 218 CB CYS A 15 1.657 -6.153 1.833 1.00 0.00 C ATOM 219 SG CYS A 15 1.938 -4.351 1.683 1.00 0.00 S ATOM 0 H CYS A 15 2.712 -6.108 4.151 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.011 -6.079 3.121 1.00 0.00 H new ATOM 0 HB2 CYS A 15 2.619 -6.663 1.771 1.00 0.00 H new ATOM 0 HB3 CYS A 15 1.064 -6.486 0.981 1.00 0.00 H new ATOM 224 N CYS A 16 -0.522 -8.487 2.951 1.00 0.00 N ATOM 225 CA CYS A 16 -0.884 -9.895 2.963 1.00 0.00 C ATOM 226 C CYS A 16 0.058 -10.640 2.015 1.00 0.00 C ATOM 227 O CYS A 16 0.499 -11.748 2.317 1.00 0.00 O ATOM 228 CB CYS A 16 -2.352 -10.106 2.591 1.00 0.00 C ATOM 229 SG CYS A 16 -3.539 -9.812 3.952 1.00 0.00 S ATOM 0 H CYS A 16 -1.297 -7.849 2.771 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.773 -10.293 3.972 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.601 -9.444 1.762 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.478 -11.128 2.232 1.00 0.00 H new ATOM 234 N ASP A 17 0.340 -10.002 0.890 1.00 0.00 N ATOM 235 CA ASP A 17 1.221 -10.590 -0.104 1.00 0.00 C ATOM 236 C ASP A 17 2.659 -10.140 0.164 1.00 0.00 C ATOM 237 O ASP A 17 2.905 -8.967 0.439 1.00 0.00 O ATOM 238 CB ASP A 17 0.841 -10.139 -1.515 1.00 0.00 C ATOM 239 CG ASP A 17 -0.274 -10.952 -2.176 1.00 0.00 C ATOM 240 OD1 ASP A 17 -1.450 -10.650 -1.879 1.00 0.00 O ATOM 241 OD2 ASP A 17 0.075 -11.858 -2.966 1.00 0.00 O ATOM 0 H ASP A 17 -0.026 -9.082 0.644 1.00 0.00 H new ATOM 0 HA ASP A 17 1.129 -11.674 -0.035 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.534 -9.094 -1.476 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.728 -10.187 -2.147 1.00 0.00 H new ATOM 246 N PRO A 18 3.596 -11.122 0.073 1.00 0.00 N ATOM 247 CA PRO A 18 5.001 -10.839 0.303 1.00 0.00 C ATOM 248 C PRO A 18 5.614 -10.098 -0.888 1.00 0.00 C ATOM 249 O PRO A 18 6.599 -9.379 -0.734 1.00 0.00 O ATOM 250 CB PRO A 18 5.642 -12.196 0.550 1.00 0.00 C ATOM 251 CG PRO A 18 4.669 -13.223 -0.007 1.00 0.00 C ATOM 252 CD PRO A 18 3.341 -12.523 -0.250 1.00 0.00 C ATOM 0 HA PRO A 18 5.161 -10.176 1.153 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.611 -12.267 0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.815 -12.359 1.614 1.00 0.00 H new ATOM 0 HG2 PRO A 18 5.052 -13.648 -0.935 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.543 -14.049 0.693 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.016 -12.638 -1.284 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.554 -12.938 0.380 1.00 0.00 H new ATOM 260 N ALA A 19 5.003 -10.298 -2.046 1.00 0.00 N ATOM 261 CA ALA A 19 5.475 -9.657 -3.261 1.00 0.00 C ATOM 262 C ALA A 19 4.887 -8.248 -3.352 1.00 0.00 C ATOM 263 O ALA A 19 5.043 -7.570 -4.366 1.00 0.00 O ATOM 264 CB ALA A 19 5.110 -10.522 -4.469 1.00 0.00 C ATOM 0 H ALA A 19 4.185 -10.895 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 19 6.561 -9.559 -3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.464 -10.041 -5.381 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.578 -11.501 -4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 19 4.028 -10.640 -4.518 1.00 0.00 H new ATOM 270 N ALA A 20 4.219 -7.850 -2.279 1.00 0.00 N ATOM 271 CA ALA A 20 3.605 -6.534 -2.225 1.00 0.00 C ATOM 272 C ALA A 20 4.643 -5.509 -1.765 1.00 0.00 C ATOM 273 O ALA A 20 5.595 -5.857 -1.067 1.00 0.00 O ATOM 274 CB ALA A 20 2.383 -6.579 -1.305 1.00 0.00 C ATOM 0 H ALA A 20 4.090 -8.416 -1.440 1.00 0.00 H new ATOM 0 HA ALA A 20 3.259 -6.231 -3.213 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.922 -5.592 -1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.663 -7.300 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.693 -6.877 -0.303 1.00 0.00 H new ATOM 280 N THR A 21 4.426 -4.269 -2.175 1.00 0.00 N ATOM 281 CA THR A 21 5.332 -3.192 -1.815 1.00 0.00 C ATOM 282 C THR A 21 4.545 -1.927 -1.467 1.00 0.00 C ATOM 283 O THR A 21 4.228 -1.129 -2.348 1.00 0.00 O ATOM 284 CB THR A 21 6.318 -2.997 -2.968 1.00 0.00 C ATOM 285 OG1 THR A 21 5.612 -3.469 -4.111 1.00 0.00 O ATOM 286 CG2 THR A 21 7.529 -3.926 -2.867 1.00 0.00 C ATOM 0 H THR A 21 3.635 -3.985 -2.754 1.00 0.00 H new ATOM 0 HA THR A 21 5.903 -3.438 -0.920 1.00 0.00 H new ATOM 0 HB THR A 21 6.657 -1.961 -2.985 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.660 -2.799 -4.825 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.197 -3.746 -3.710 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.060 -3.731 -1.935 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.194 -4.963 -2.884 1.00 0.00 H new ATOM 294 N CYS A 22 4.254 -1.783 -0.182 1.00 0.00 N ATOM 295 CA CYS A 22 3.510 -0.629 0.291 1.00 0.00 C ATOM 296 C CYS A 22 4.275 0.633 -0.109 1.00 0.00 C ATOM 297 O CYS A 22 5.097 1.134 0.657 1.00 0.00 O ATOM 298 CB CYS A 22 3.267 -0.695 1.801 1.00 0.00 C ATOM 299 SG CYS A 22 2.507 0.807 2.521 1.00 0.00 S ATOM 0 H CYS A 22 4.520 -2.447 0.545 1.00 0.00 H new ATOM 0 HA CYS A 22 2.523 -0.615 -0.170 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.624 -1.549 2.015 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.218 -0.879 2.300 1.00 0.00 H new ATOM 304 N TYR A 23 3.979 1.111 -1.309 1.00 0.00 N ATOM 305 CA TYR A 23 4.629 2.306 -1.821 1.00 0.00 C ATOM 306 C TYR A 23 3.597 3.343 -2.269 1.00 0.00 C ATOM 307 O TYR A 23 2.448 3.000 -2.545 1.00 0.00 O ATOM 308 CB TYR A 23 5.443 1.855 -3.035 1.00 0.00 C ATOM 309 CG TYR A 23 4.746 2.097 -4.375 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.436 1.700 -4.553 1.00 0.00 C ATOM 311 CD2 TYR A 23 5.426 2.711 -5.407 1.00 0.00 C ATOM 312 CE1 TYR A 23 2.780 1.926 -5.814 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.770 2.937 -6.668 1.00 0.00 C ATOM 314 CZ TYR A 23 3.480 2.534 -6.809 1.00 0.00 C ATOM 315 OH TYR A 23 2.859 2.747 -8.002 1.00 0.00 O ATOM 0 H TYR A 23 3.297 0.692 -1.942 1.00 0.00 H new ATOM 0 HA TYR A 23 5.247 2.767 -1.051 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.399 2.379 -3.034 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.663 0.792 -2.938 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.903 1.220 -3.746 1.00 0.00 H new ATOM 0 HD2 TYR A 23 6.451 3.022 -5.268 1.00 0.00 H new ATOM 0 HE1 TYR A 23 1.756 1.620 -5.967 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.291 3.416 -7.484 1.00 0.00 H new ATOM 0 HH TYR A 23 3.478 3.191 -8.619 1.00 0.00 H new ATOM 325 N CYS A 24 4.044 4.589 -2.328 1.00 0.00 N ATOM 326 CA CYS A 24 3.174 5.678 -2.738 1.00 0.00 C ATOM 327 C CYS A 24 3.686 6.226 -4.072 1.00 0.00 C ATOM 328 O CYS A 24 4.869 6.533 -4.206 1.00 0.00 O ATOM 329 CB CYS A 24 3.088 6.767 -1.667 1.00 0.00 C ATOM 330 SG CYS A 24 3.797 6.306 -0.045 1.00 0.00 S ATOM 0 H CYS A 24 4.998 4.869 -2.099 1.00 0.00 H new ATOM 0 HA CYS A 24 2.157 5.307 -2.866 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.601 7.657 -2.032 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.041 7.037 -1.527 1.00 0.00 H new ATOM 335 N ARG A 25 2.769 6.331 -5.022 1.00 0.00 N ATOM 336 CA ARG A 25 3.114 6.838 -6.340 1.00 0.00 C ATOM 337 C ARG A 25 3.572 8.293 -6.247 1.00 0.00 C ATOM 338 O ARG A 25 4.591 8.666 -6.827 1.00 0.00 O ATOM 339 CB ARG A 25 1.921 6.746 -7.293 1.00 0.00 C ATOM 340 CG ARG A 25 2.276 7.309 -8.671 1.00 0.00 C ATOM 341 CD ARG A 25 2.204 8.838 -8.674 1.00 0.00 C ATOM 342 NE ARG A 25 1.146 9.296 -7.746 1.00 0.00 N ATOM 343 CZ ARG A 25 -0.043 9.772 -8.139 1.00 0.00 C ATOM 344 NH1 ARG A 25 -0.334 9.856 -9.444 1.00 0.00 N ATOM 345 NH2 ARG A 25 -0.943 10.165 -7.227 1.00 0.00 N ATOM 0 H ARG A 25 1.789 6.074 -4.906 1.00 0.00 H new ATOM 0 HA ARG A 25 3.926 6.224 -6.730 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.608 5.706 -7.390 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.076 7.296 -6.878 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.279 6.988 -8.951 1.00 0.00 H new ATOM 0 HG3 ARG A 25 1.592 6.908 -9.419 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.166 9.256 -8.377 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.997 9.199 -9.682 1.00 0.00 H new ATOM 0 HE ARG A 25 1.334 9.246 -6.745 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.350 9.557 -10.139 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.240 10.219 -9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.723 10.102 -6.233 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -1.848 10.527 -7.527 1.00 0.00 H new ATOM 359 N PHE A 26 2.799 9.079 -5.511 1.00 0.00 N ATOM 360 CA PHE A 26 3.114 10.485 -5.333 1.00 0.00 C ATOM 361 C PHE A 26 4.039 10.694 -4.131 1.00 0.00 C ATOM 362 O PHE A 26 4.768 9.784 -3.740 1.00 0.00 O ATOM 363 CB PHE A 26 1.791 11.211 -5.075 1.00 0.00 C ATOM 364 CG PHE A 26 1.733 12.624 -5.657 1.00 0.00 C ATOM 365 CD1 PHE A 26 2.041 12.833 -6.966 1.00 0.00 C ATOM 366 CD2 PHE A 26 1.370 13.671 -4.870 1.00 0.00 C ATOM 367 CE1 PHE A 26 1.985 14.144 -7.508 1.00 0.00 C ATOM 368 CE2 PHE A 26 1.315 14.982 -5.410 1.00 0.00 C ATOM 369 CZ PHE A 26 1.624 15.190 -6.719 1.00 0.00 C ATOM 0 H PHE A 26 1.955 8.767 -5.031 1.00 0.00 H new ATOM 0 HA PHE A 26 3.622 10.866 -6.219 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.977 10.622 -5.497 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.622 11.265 -4.000 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.328 12.001 -7.593 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.123 13.505 -3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.229 14.310 -8.547 1.00 0.00 H new ATOM 0 HE2 PHE A 26 1.028 15.814 -4.783 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.582 16.187 -7.131 1.00 0.00 H new ATOM 379 N PHE A 27 3.979 11.897 -3.580 1.00 0.00 N ATOM 380 CA PHE A 27 4.804 12.236 -2.433 1.00 0.00 C ATOM 381 C PHE A 27 4.229 11.634 -1.149 1.00 0.00 C ATOM 382 O PHE A 27 4.828 10.737 -0.557 1.00 0.00 O ATOM 383 CB PHE A 27 4.798 13.762 -2.313 1.00 0.00 C ATOM 384 CG PHE A 27 6.189 14.378 -2.160 1.00 0.00 C ATOM 385 CD1 PHE A 27 6.929 14.118 -1.048 1.00 0.00 C ATOM 386 CD2 PHE A 27 6.688 15.187 -3.132 1.00 0.00 C ATOM 387 CE1 PHE A 27 8.221 14.691 -0.904 1.00 0.00 C ATOM 388 CE2 PHE A 27 7.979 15.759 -2.989 1.00 0.00 C ATOM 389 CZ PHE A 27 8.718 15.498 -1.879 1.00 0.00 C ATOM 0 H PHE A 27 3.372 12.649 -3.906 1.00 0.00 H new ATOM 0 HA PHE A 27 5.811 11.842 -2.569 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.320 14.184 -3.197 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.189 14.047 -1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 27 6.534 13.476 -0.275 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.101 15.395 -4.014 1.00 0.00 H new ATOM 0 HE1 PHE A 27 8.808 14.486 -0.021 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.374 16.401 -3.762 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.701 15.932 -1.771 1.00 0.00 H new ATOM 399 N ASN A 28 3.073 12.150 -0.757 1.00 0.00 N ATOM 400 CA ASN A 28 2.411 11.675 0.446 1.00 0.00 C ATOM 401 C ASN A 28 0.895 11.769 0.259 1.00 0.00 C ATOM 402 O ASN A 28 0.248 12.640 0.838 1.00 0.00 O ATOM 403 CB ASN A 28 2.792 12.527 1.659 1.00 0.00 C ATOM 404 CG ASN A 28 2.677 11.721 2.953 1.00 0.00 C ATOM 405 OD1 ASN A 28 1.775 11.909 3.754 1.00 0.00 O ATOM 406 ND2 ASN A 28 3.637 10.814 3.114 1.00 0.00 N ATOM 0 H ASN A 28 2.578 12.892 -1.251 1.00 0.00 H new ATOM 0 HA ASN A 28 2.723 10.645 0.618 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.812 12.894 1.544 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.143 13.401 1.712 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.647 10.225 3.946 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.363 10.708 2.405 1.00 0.00 H new ATOM 413 N ALA A 29 0.373 10.859 -0.551 1.00 0.00 N ATOM 414 CA ALA A 29 -1.054 10.829 -0.821 1.00 0.00 C ATOM 415 C ALA A 29 -1.494 9.382 -1.052 1.00 0.00 C ATOM 416 O ALA A 29 -1.976 8.722 -0.134 1.00 0.00 O ATOM 417 CB ALA A 29 -1.367 11.732 -2.016 1.00 0.00 C ATOM 0 H ALA A 29 0.913 10.137 -1.029 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.614 11.212 0.032 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.438 11.709 -2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.062 12.754 -1.790 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.824 11.377 -2.892 1.00 0.00 H new ATOM 423 N PHE A 30 -1.313 8.932 -2.284 1.00 0.00 N ATOM 424 CA PHE A 30 -1.685 7.575 -2.649 1.00 0.00 C ATOM 425 C PHE A 30 -0.573 6.587 -2.290 1.00 0.00 C ATOM 426 O PHE A 30 0.476 6.569 -2.932 1.00 0.00 O ATOM 427 CB PHE A 30 -1.895 7.560 -4.163 1.00 0.00 C ATOM 428 CG PHE A 30 -3.260 8.090 -4.608 1.00 0.00 C ATOM 429 CD1 PHE A 30 -4.380 7.346 -4.397 1.00 0.00 C ATOM 430 CD2 PHE A 30 -3.355 9.304 -5.212 1.00 0.00 C ATOM 431 CE1 PHE A 30 -5.647 7.837 -4.809 1.00 0.00 C ATOM 432 CE2 PHE A 30 -4.622 9.796 -5.624 1.00 0.00 C ATOM 433 CZ PHE A 30 -5.742 9.053 -5.413 1.00 0.00 C ATOM 0 H PHE A 30 -0.913 9.483 -3.044 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.586 7.279 -2.111 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.114 8.157 -4.634 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.778 6.539 -4.526 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.305 6.382 -3.916 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.466 9.895 -5.379 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.535 7.246 -4.643 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.696 10.760 -6.105 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.706 9.428 -5.725 1.00 0.00 H new ATOM 443 N CYS A 31 -0.841 5.790 -1.267 1.00 0.00 N ATOM 444 CA CYS A 31 0.124 4.801 -0.816 1.00 0.00 C ATOM 445 C CYS A 31 -0.622 3.495 -0.538 1.00 0.00 C ATOM 446 O CYS A 31 -1.500 3.447 0.324 1.00 0.00 O ATOM 447 CB CYS A 31 0.900 5.287 0.410 1.00 0.00 C ATOM 448 SG CYS A 31 2.643 4.734 0.483 1.00 0.00 S ATOM 0 H CYS A 31 -1.712 5.808 -0.737 1.00 0.00 H new ATOM 0 HA CYS A 31 0.869 4.634 -1.594 1.00 0.00 H new ATOM 0 HB2 CYS A 31 0.878 6.377 0.428 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.386 4.943 1.308 1.00 0.00 H new ATOM 453 N TYR A 32 -0.246 2.466 -1.283 1.00 0.00 N ATOM 454 CA TYR A 32 -0.867 1.162 -1.128 1.00 0.00 C ATOM 455 C TYR A 32 0.147 0.039 -1.358 1.00 0.00 C ATOM 456 O TYR A 32 1.300 0.300 -1.696 1.00 0.00 O ATOM 457 CB TYR A 32 -1.952 1.080 -2.204 1.00 0.00 C ATOM 458 CG TYR A 32 -1.794 2.111 -3.325 1.00 0.00 C ATOM 459 CD1 TYR A 32 -0.680 2.081 -4.137 1.00 0.00 C ATOM 460 CD2 TYR A 32 -2.767 3.071 -3.521 1.00 0.00 C ATOM 461 CE1 TYR A 32 -0.532 3.051 -5.192 1.00 0.00 C ATOM 462 CE2 TYR A 32 -2.620 4.040 -4.576 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.509 3.983 -5.359 1.00 0.00 C ATOM 464 OH TYR A 32 -1.369 4.899 -6.354 1.00 0.00 O ATOM 0 H TYR A 32 0.482 2.509 -1.996 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.267 1.046 -0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.943 0.081 -2.639 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.926 1.215 -1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 32 0.081 1.331 -3.982 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.638 3.095 -2.883 1.00 0.00 H new ATOM 0 HE1 TYR A 32 0.335 3.039 -5.836 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.375 4.795 -4.742 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.229 5.341 -6.515 1.00 0.00 H new ATOM 474 N CYS A 33 -0.320 -1.185 -1.164 1.00 0.00 N ATOM 475 CA CYS A 33 0.531 -2.349 -1.345 1.00 0.00 C ATOM 476 C CYS A 33 0.715 -2.579 -2.847 1.00 0.00 C ATOM 477 O CYS A 33 -0.172 -3.115 -3.509 1.00 0.00 O ATOM 478 CB CYS A 33 -0.039 -3.583 -0.643 1.00 0.00 C ATOM 479 SG CYS A 33 0.208 -3.617 1.170 1.00 0.00 S ATOM 0 H CYS A 33 -1.277 -1.397 -0.883 1.00 0.00 H new ATOM 0 HA CYS A 33 1.502 -2.168 -0.884 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.107 -3.641 -0.851 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.419 -4.473 -1.075 1.00 0.00 H new ATOM 484 N ARG A 34 1.873 -2.165 -3.340 1.00 0.00 N ATOM 485 CA ARG A 34 2.185 -2.320 -4.750 1.00 0.00 C ATOM 486 C ARG A 34 3.173 -3.469 -4.952 1.00 0.00 C ATOM 487 O ARG A 34 2.916 -4.596 -4.531 1.00 0.00 O ATOM 488 CB ARG A 34 2.782 -1.035 -5.327 1.00 0.00 C ATOM 489 CG ARG A 34 3.378 -1.282 -6.715 1.00 0.00 C ATOM 490 CD ARG A 34 2.287 -1.657 -7.721 1.00 0.00 C ATOM 491 NE ARG A 34 2.776 -2.723 -8.624 1.00 0.00 N ATOM 492 CZ ARG A 34 2.615 -4.033 -8.396 1.00 0.00 C ATOM 493 NH1 ARG A 34 1.978 -4.448 -7.293 1.00 0.00 N ATOM 494 NH2 ARG A 34 3.092 -4.929 -9.271 1.00 0.00 N ATOM 0 H ARG A 34 2.607 -1.722 -2.787 1.00 0.00 H new ATOM 0 HA ARG A 34 1.254 -2.541 -5.273 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.010 -0.268 -5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.554 -0.656 -4.658 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.900 -0.387 -7.055 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.118 -2.081 -6.660 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.396 -1.996 -7.194 1.00 0.00 H new ATOM 0 HD3 ARG A 34 1.999 -0.781 -8.302 1.00 0.00 H new ATOM 0 HE ARG A 34 3.266 -2.442 -9.473 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.615 -3.766 -6.627 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.856 -5.446 -7.120 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.578 -4.613 -10.111 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.969 -5.927 -9.097 1.00 0.00 H new TER 508 ARG A 34