USER MOD reduce.3.24.130724 H: found=0, std=0, add=242, rem=0, adj=7 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+ -144:sc= 0.216 (180deg=0) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.827 F(o=-1.4,f=-0.83) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= -8! C(o=-9.5!,f=-8!) USER MOD Single : A 12 GLN : amide:sc=-0.00185 X(o=-0.0018,f=-0.028) USER MOD Single : A 21 THR OG1 : rot -89:sc= 0.862 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 165:sc= -0.926 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -4.454 -7.935 8.005 1.00 0.00 N ATOM 2 CA CYS A 1 -3.360 -7.711 7.076 1.00 0.00 C ATOM 3 C CYS A 1 -3.804 -6.660 6.055 1.00 0.00 C ATOM 4 O CYS A 1 -4.851 -6.036 6.218 1.00 0.00 O ATOM 5 CB CYS A 1 -2.916 -9.011 6.401 1.00 0.00 C ATOM 6 SG CYS A 1 -4.218 -9.855 5.431 1.00 0.00 S ATOM 0 H1 CYS A 1 -4.072 -8.104 8.957 1.00 0.00 H new ATOM 0 H2 CYS A 1 -5.071 -7.098 8.023 1.00 0.00 H new ATOM 0 H3 CYS A 1 -5.004 -8.764 7.701 1.00 0.00 H new ATOM 0 HA CYS A 1 -2.488 -7.344 7.618 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -2.075 -8.793 5.742 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -2.552 -9.696 7.167 1.00 0.00 H new ATOM 11 N VAL A 2 -2.984 -6.498 5.026 1.00 0.00 N ATOM 12 CA VAL A 2 -3.280 -5.535 3.979 1.00 0.00 C ATOM 13 C VAL A 2 -3.032 -6.179 2.614 1.00 0.00 C ATOM 14 O VAL A 2 -1.960 -6.729 2.370 1.00 0.00 O ATOM 15 CB VAL A 2 -2.463 -4.260 4.197 1.00 0.00 C ATOM 16 CG1 VAL A 2 -1.634 -3.921 2.955 1.00 0.00 C ATOM 17 CG2 VAL A 2 -3.367 -3.089 4.587 1.00 0.00 C ATOM 0 H VAL A 2 -2.116 -7.017 4.895 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.330 -5.243 4.013 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.774 -4.441 5.022 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.063 -3.011 3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -0.950 -4.742 2.739 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.298 -3.769 2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.761 -2.195 4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -4.091 -2.908 3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -3.894 -3.328 5.511 1.00 0.00 H new ATOM 27 N ARG A 3 -4.041 -6.089 1.760 1.00 0.00 N ATOM 28 CA ARG A 3 -3.945 -6.657 0.427 1.00 0.00 C ATOM 29 C ARG A 3 -3.152 -5.724 -0.491 1.00 0.00 C ATOM 30 O ARG A 3 -2.783 -4.622 -0.092 1.00 0.00 O ATOM 31 CB ARG A 3 -5.334 -6.891 -0.173 1.00 0.00 C ATOM 32 CG ARG A 3 -6.003 -8.115 0.458 1.00 0.00 C ATOM 33 CD ARG A 3 -5.710 -9.379 -0.352 1.00 0.00 C ATOM 34 NE ARG A 3 -4.366 -9.897 -0.015 1.00 0.00 N ATOM 35 CZ ARG A 3 -3.755 -10.889 -0.676 1.00 0.00 C ATOM 36 NH1 ARG A 3 -4.363 -11.475 -1.717 1.00 0.00 N ATOM 37 NH2 ARG A 3 -2.535 -11.294 -0.298 1.00 0.00 N ATOM 0 H ARG A 3 -4.929 -5.631 1.966 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.431 -7.615 0.510 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.956 -6.010 -0.015 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.250 -7.033 -1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.646 -8.243 1.480 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.080 -7.957 0.514 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.464 -10.138 -0.143 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -5.767 -9.159 -1.418 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.873 -9.472 0.770 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.291 -11.166 -2.006 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.898 -12.230 -2.220 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -2.072 -10.847 0.493 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -2.070 -12.049 -0.801 1.00 0.00 H new ATOM 51 N LEU A 4 -2.916 -6.201 -1.704 1.00 0.00 N ATOM 52 CA LEU A 4 -2.173 -5.424 -2.682 1.00 0.00 C ATOM 53 C LEU A 4 -2.934 -4.131 -2.983 1.00 0.00 C ATOM 54 O LEU A 4 -2.356 -3.046 -2.956 1.00 0.00 O ATOM 55 CB LEU A 4 -1.878 -6.267 -3.924 1.00 0.00 C ATOM 56 CG LEU A 4 -0.544 -5.992 -4.620 1.00 0.00 C ATOM 57 CD1 LEU A 4 0.251 -7.285 -4.815 1.00 0.00 C ATOM 58 CD2 LEU A 4 -0.756 -5.247 -5.939 1.00 0.00 C ATOM 0 H LEU A 4 -3.226 -7.116 -2.032 1.00 0.00 H new ATOM 0 HA LEU A 4 -1.201 -5.137 -2.282 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -1.907 -7.319 -3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -2.680 -6.109 -4.645 1.00 0.00 H new ATOM 0 HG LEU A 4 0.049 -5.343 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 4 1.195 -7.060 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 4 0.451 -7.739 -3.844 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.326 -7.978 -5.428 1.00 0.00 H new ATOM 0 HD21 LEU A 4 0.208 -5.064 -6.413 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -1.377 -5.850 -6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -1.250 -4.295 -5.744 1.00 0.00 H new ATOM 70 N HIS A 5 -4.219 -4.289 -3.262 1.00 0.00 N ATOM 71 CA HIS A 5 -5.065 -3.148 -3.569 1.00 0.00 C ATOM 72 C HIS A 5 -5.620 -2.559 -2.271 1.00 0.00 C ATOM 73 O HIS A 5 -6.810 -2.263 -2.178 1.00 0.00 O ATOM 74 CB HIS A 5 -6.163 -3.535 -4.561 1.00 0.00 C ATOM 75 CG HIS A 5 -7.365 -4.190 -3.922 1.00 0.00 C ATOM 76 ND1 HIS A 5 -8.607 -3.697 -3.651 1.00 0.00 N flip ATOM 77 CD2 HIS A 5 -7.360 -5.502 -3.485 1.00 0.00 C flip ATOM 78 CE1 HIS A 5 -9.324 -4.658 -3.080 1.00 0.00 C flip ATOM 79 NE2 HIS A 5 -8.552 -5.778 -2.976 1.00 0.00 N flip ATOM 0 H HIS A 5 -4.696 -5.191 -3.282 1.00 0.00 H new ATOM 0 HA HIS A 5 -4.474 -2.373 -4.057 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -6.489 -2.641 -5.093 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -5.744 -4.214 -5.304 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -6.526 -6.186 -3.548 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -10.349 -4.568 -2.752 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -8.841 -6.671 -2.577 1.00 0.00 H new ATOM 88 N GLU A 6 -4.730 -2.404 -1.301 1.00 0.00 N ATOM 89 CA GLU A 6 -5.116 -1.854 -0.012 1.00 0.00 C ATOM 90 C GLU A 6 -4.053 -0.874 0.487 1.00 0.00 C ATOM 91 O GLU A 6 -2.946 -1.280 0.842 1.00 0.00 O ATOM 92 CB GLU A 6 -5.358 -2.968 1.008 1.00 0.00 C ATOM 93 CG GLU A 6 -6.707 -3.650 0.768 1.00 0.00 C ATOM 94 CD GLU A 6 -7.024 -4.647 1.884 1.00 0.00 C ATOM 95 OE1 GLU A 6 -6.662 -4.340 3.040 1.00 0.00 O ATOM 96 OE2 GLU A 6 -7.618 -5.697 1.554 1.00 0.00 O ATOM 0 H GLU A 6 -3.743 -2.650 -1.382 1.00 0.00 H new ATOM 0 HA GLU A 6 -6.052 -1.310 -0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.558 -3.705 0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.330 -2.555 2.016 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.494 -2.898 0.713 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -6.692 -4.166 -0.192 1.00 0.00 H new ATOM 103 N SER A 7 -4.424 0.398 0.499 1.00 0.00 N ATOM 104 CA SER A 7 -3.516 1.439 0.948 1.00 0.00 C ATOM 105 C SER A 7 -2.628 0.908 2.076 1.00 0.00 C ATOM 106 O SER A 7 -3.057 0.066 2.863 1.00 0.00 O ATOM 107 CB SER A 7 -4.285 2.677 1.417 1.00 0.00 C ATOM 108 OG SER A 7 -3.709 3.252 2.586 1.00 0.00 O ATOM 0 H SER A 7 -5.342 0.731 0.205 1.00 0.00 H new ATOM 0 HA SER A 7 -2.888 1.731 0.106 1.00 0.00 H new ATOM 0 HB2 SER A 7 -4.300 3.418 0.618 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.321 2.405 1.619 1.00 0.00 H new ATOM 0 HG SER A 7 -4.227 4.040 2.852 1.00 0.00 H new ATOM 114 N CYS A 8 -1.408 1.422 2.117 1.00 0.00 N ATOM 115 CA CYS A 8 -0.456 1.010 3.136 1.00 0.00 C ATOM 116 C CYS A 8 0.030 2.259 3.872 1.00 0.00 C ATOM 117 O CYS A 8 0.904 2.176 4.732 1.00 0.00 O ATOM 118 CB CYS A 8 0.703 0.212 2.536 1.00 0.00 C ATOM 119 SG CYS A 8 2.171 0.059 3.619 1.00 0.00 S ATOM 0 H CYS A 8 -1.056 2.120 1.462 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.943 0.340 3.844 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.347 -0.788 2.287 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.006 0.685 1.602 1.00 0.00 H new ATOM 124 N LEU A 9 -0.557 3.389 3.506 1.00 0.00 N ATOM 125 CA LEU A 9 -0.194 4.654 4.121 1.00 0.00 C ATOM 126 C LEU A 9 -0.687 4.672 5.571 1.00 0.00 C ATOM 127 O LEU A 9 -1.814 4.268 5.852 1.00 0.00 O ATOM 128 CB LEU A 9 -0.709 5.826 3.283 1.00 0.00 C ATOM 129 CG LEU A 9 -1.851 6.640 3.896 1.00 0.00 C ATOM 130 CD1 LEU A 9 -1.309 7.815 4.711 1.00 0.00 C ATOM 131 CD2 LEU A 9 -2.839 7.094 2.821 1.00 0.00 C ATOM 0 H LEU A 9 -1.282 3.455 2.791 1.00 0.00 H new ATOM 0 HA LEU A 9 0.890 4.765 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.125 6.499 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.042 5.439 2.320 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.399 5.997 4.584 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.140 8.377 5.136 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -0.677 7.439 5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -0.723 8.467 4.064 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.640 7.670 3.283 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -2.321 7.715 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -3.261 6.221 2.322 1.00 0.00 H new ATOM 143 N GLY A 10 0.183 5.145 6.451 1.00 0.00 N ATOM 144 CA GLY A 10 -0.148 5.220 7.863 1.00 0.00 C ATOM 145 C GLY A 10 -0.850 3.943 8.331 1.00 0.00 C ATOM 146 O GLY A 10 -1.859 4.005 9.032 1.00 0.00 O ATOM 0 H GLY A 10 1.117 5.480 6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.760 5.374 8.445 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.792 6.080 8.044 1.00 0.00 H new ATOM 150 N GLN A 11 -0.288 2.814 7.924 1.00 0.00 N ATOM 151 CA GLN A 11 -0.845 1.526 8.293 1.00 0.00 C ATOM 152 C GLN A 11 -0.127 0.966 9.521 1.00 0.00 C ATOM 153 O GLN A 11 0.925 1.472 9.912 1.00 0.00 O ATOM 154 CB GLN A 11 -0.776 0.543 7.122 1.00 0.00 C ATOM 155 CG GLN A 11 -2.159 0.322 6.508 1.00 0.00 C ATOM 156 CD GLN A 11 -2.688 -1.078 6.832 1.00 0.00 C ATOM 157 OE1 GLN A 11 -1.814 -2.052 6.603 1.00 0.00 O flip ATOM 158 NE2 GLN A 11 -3.813 -1.259 7.264 1.00 0.00 N flip ATOM 0 H GLN A 11 0.548 2.766 7.342 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.896 1.667 8.546 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.094 0.925 6.362 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.371 -0.409 7.465 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.853 1.073 6.886 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.106 0.453 5.427 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -4.434 -0.465 7.417 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.133 -2.205 7.473 1.00 0.00 H new ATOM 167 N GLN A 12 -0.721 -0.069 10.096 1.00 0.00 N ATOM 168 CA GLN A 12 -0.150 -0.701 11.274 1.00 0.00 C ATOM 169 C GLN A 12 -0.129 -2.222 11.101 1.00 0.00 C ATOM 170 O GLN A 12 0.367 -2.941 11.967 1.00 0.00 O ATOM 171 CB GLN A 12 -0.916 -0.303 12.536 1.00 0.00 C ATOM 172 CG GLN A 12 -0.074 0.623 13.418 1.00 0.00 C ATOM 173 CD GLN A 12 -0.115 0.172 14.881 1.00 0.00 C ATOM 174 OE1 GLN A 12 -1.161 -0.105 15.443 1.00 0.00 O ATOM 175 NE2 GLN A 12 1.081 0.116 15.461 1.00 0.00 N ATOM 0 H GLN A 12 -1.592 -0.486 9.768 1.00 0.00 H new ATOM 0 HA GLN A 12 0.877 -0.353 11.388 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -1.845 0.197 12.260 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.189 -1.197 13.097 1.00 0.00 H new ATOM 0 HG2 GLN A 12 0.957 0.630 13.064 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -0.445 1.645 13.338 1.00 0.00 H new ATOM 0 HE21 GLN A 12 1.917 0.362 14.931 1.00 0.00 H new ATOM 0 HE22 GLN A 12 1.162 -0.173 16.436 1.00 0.00 H new ATOM 184 N VAL A 13 -0.672 -2.665 9.977 1.00 0.00 N ATOM 185 CA VAL A 13 -0.721 -4.086 9.681 1.00 0.00 C ATOM 186 C VAL A 13 0.147 -4.379 8.455 1.00 0.00 C ATOM 187 O VAL A 13 0.350 -3.507 7.612 1.00 0.00 O ATOM 188 CB VAL A 13 -2.174 -4.534 9.503 1.00 0.00 C ATOM 189 CG1 VAL A 13 -2.595 -5.487 10.623 1.00 0.00 C ATOM 190 CG2 VAL A 13 -3.114 -3.328 9.427 1.00 0.00 C ATOM 0 H VAL A 13 -1.082 -2.065 9.261 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.315 -4.662 10.513 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.245 -5.074 8.559 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.631 -5.790 10.473 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.954 -6.368 10.611 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.500 -4.983 11.585 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.140 -3.674 9.301 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.037 -2.748 10.347 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.835 -2.702 8.579 1.00 0.00 H new ATOM 200 N PRO A 14 0.650 -5.641 8.395 1.00 0.00 N ATOM 201 CA PRO A 14 1.492 -6.058 7.287 1.00 0.00 C ATOM 202 C PRO A 14 0.661 -6.292 6.024 1.00 0.00 C ATOM 203 O PRO A 14 -0.554 -6.107 6.033 1.00 0.00 O ATOM 204 CB PRO A 14 2.193 -7.315 7.777 1.00 0.00 C ATOM 205 CG PRO A 14 1.374 -7.816 8.957 1.00 0.00 C ATOM 206 CD PRO A 14 0.431 -6.700 9.375 1.00 0.00 C ATOM 0 HA PRO A 14 2.219 -5.297 7.002 1.00 0.00 H new ATOM 0 HB2 PRO A 14 2.243 -8.067 6.989 1.00 0.00 H new ATOM 0 HB3 PRO A 14 3.218 -7.099 8.077 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.812 -8.708 8.680 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.027 -8.095 9.784 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -0.606 -7.036 9.370 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.649 -6.355 10.386 1.00 0.00 H new ATOM 214 N CYS A 15 1.350 -6.694 4.967 1.00 0.00 N ATOM 215 CA CYS A 15 0.692 -6.954 3.698 1.00 0.00 C ATOM 216 C CYS A 15 0.613 -8.469 3.499 1.00 0.00 C ATOM 217 O CYS A 15 1.639 -9.139 3.398 1.00 0.00 O ATOM 218 CB CYS A 15 1.408 -6.262 2.536 1.00 0.00 C ATOM 219 SG CYS A 15 0.379 -6.005 1.045 1.00 0.00 S ATOM 0 H CYS A 15 2.359 -6.846 4.963 1.00 0.00 H new ATOM 0 HA CYS A 15 -0.315 -6.538 3.717 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.775 -5.294 2.878 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.280 -6.855 2.261 1.00 0.00 H new ATOM 224 N CYS A 16 -0.615 -8.963 3.449 1.00 0.00 N ATOM 225 CA CYS A 16 -0.841 -10.387 3.264 1.00 0.00 C ATOM 226 C CYS A 16 -0.035 -10.847 2.047 1.00 0.00 C ATOM 227 O CYS A 16 0.410 -11.992 1.991 1.00 0.00 O ATOM 228 CB CYS A 16 -2.330 -10.709 3.117 1.00 0.00 C ATOM 229 SG CYS A 16 -3.114 -11.410 4.615 1.00 0.00 S ATOM 0 H CYS A 16 -1.464 -8.403 3.533 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.505 -10.929 4.148 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.859 -9.797 2.840 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.456 -11.413 2.295 1.00 0.00 H new ATOM 234 N ASP A 17 0.126 -9.932 1.103 1.00 0.00 N ATOM 235 CA ASP A 17 0.870 -10.229 -0.109 1.00 0.00 C ATOM 236 C ASP A 17 2.355 -9.941 0.125 1.00 0.00 C ATOM 237 O ASP A 17 2.726 -8.820 0.472 1.00 0.00 O ATOM 238 CB ASP A 17 0.398 -9.357 -1.274 1.00 0.00 C ATOM 239 CG ASP A 17 -0.984 -9.712 -1.826 1.00 0.00 C ATOM 240 OD1 ASP A 17 -1.126 -10.855 -2.310 1.00 0.00 O ATOM 241 OD2 ASP A 17 -1.868 -8.831 -1.752 1.00 0.00 O ATOM 0 H ASP A 17 -0.246 -8.984 1.153 1.00 0.00 H new ATOM 0 HA ASP A 17 0.707 -11.278 -0.355 1.00 0.00 H new ATOM 0 HB2 ASP A 17 0.387 -8.317 -0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 17 1.126 -9.431 -2.082 1.00 0.00 H new ATOM 246 N PRO A 18 3.186 -10.998 -0.077 1.00 0.00 N ATOM 247 CA PRO A 18 4.620 -10.869 0.107 1.00 0.00 C ATOM 248 C PRO A 18 5.256 -10.103 -1.054 1.00 0.00 C ATOM 249 O PRO A 18 6.293 -9.463 -0.886 1.00 0.00 O ATOM 250 CB PRO A 18 5.131 -12.296 0.228 1.00 0.00 C ATOM 251 CG PRO A 18 4.041 -13.180 -0.355 1.00 0.00 C ATOM 252 CD PRO A 18 2.781 -12.340 -0.487 1.00 0.00 C ATOM 0 HA PRO A 18 4.879 -10.290 0.993 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.068 -12.423 -0.314 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.328 -12.553 1.269 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.344 -13.569 -1.327 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.861 -14.040 0.290 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.407 -12.345 -1.511 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.981 -12.723 0.147 1.00 0.00 H new ATOM 260 N ALA A 19 4.608 -10.195 -2.206 1.00 0.00 N ATOM 261 CA ALA A 19 5.099 -9.517 -3.395 1.00 0.00 C ATOM 262 C ALA A 19 4.462 -8.128 -3.484 1.00 0.00 C ATOM 263 O ALA A 19 4.255 -7.606 -4.578 1.00 0.00 O ATOM 264 CB ALA A 19 4.803 -10.372 -4.628 1.00 0.00 C ATOM 0 H ALA A 19 3.749 -10.728 -2.342 1.00 0.00 H new ATOM 0 HA ALA A 19 6.179 -9.383 -3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 19 5.171 -9.864 -5.520 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.300 -11.337 -4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.727 -10.525 -4.715 1.00 0.00 H new ATOM 270 N ALA A 20 4.170 -7.569 -2.319 1.00 0.00 N ATOM 271 CA ALA A 20 3.562 -6.252 -2.251 1.00 0.00 C ATOM 272 C ALA A 20 4.518 -5.290 -1.544 1.00 0.00 C ATOM 273 O ALA A 20 4.995 -5.578 -0.447 1.00 0.00 O ATOM 274 CB ALA A 20 2.207 -6.351 -1.548 1.00 0.00 C ATOM 0 H ALA A 20 4.344 -8.005 -1.413 1.00 0.00 H new ATOM 0 HA ALA A 20 3.381 -5.860 -3.252 1.00 0.00 H new ATOM 0 HB1 ALA A 20 1.751 -5.362 -1.497 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.556 -7.023 -2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.348 -6.738 -0.539 1.00 0.00 H new ATOM 280 N THR A 21 4.767 -4.166 -2.199 1.00 0.00 N ATOM 281 CA THR A 21 5.658 -3.159 -1.646 1.00 0.00 C ATOM 282 C THR A 21 4.889 -1.868 -1.358 1.00 0.00 C ATOM 283 O THR A 21 4.169 -1.364 -2.219 1.00 0.00 O ATOM 284 CB THR A 21 6.820 -2.969 -2.622 1.00 0.00 C ATOM 285 OG1 THR A 21 6.251 -2.232 -3.702 1.00 0.00 O ATOM 286 CG2 THR A 21 7.268 -4.284 -3.263 1.00 0.00 C ATOM 0 H THR A 21 4.368 -3.930 -3.107 1.00 0.00 H new ATOM 0 HA THR A 21 6.069 -3.477 -0.688 1.00 0.00 H new ATOM 0 HB THR A 21 7.662 -2.515 -2.099 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.887 -2.854 -4.366 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.095 -4.092 -3.947 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.593 -4.976 -2.486 1.00 0.00 H new ATOM 0 HG23 THR A 21 6.436 -4.722 -3.814 1.00 0.00 H new ATOM 294 N CYS A 22 5.067 -1.368 -0.144 1.00 0.00 N ATOM 295 CA CYS A 22 4.399 -0.146 0.269 1.00 0.00 C ATOM 296 C CYS A 22 4.874 0.990 -0.639 1.00 0.00 C ATOM 297 O CYS A 22 5.773 1.747 -0.273 1.00 0.00 O ATOM 298 CB CYS A 22 4.647 0.162 1.747 1.00 0.00 C ATOM 299 SG CYS A 22 3.454 1.329 2.496 1.00 0.00 S ATOM 0 H CYS A 22 5.665 -1.788 0.568 1.00 0.00 H new ATOM 0 HA CYS A 22 3.320 -0.265 0.167 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.621 -0.772 2.308 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.651 0.571 1.855 1.00 0.00 H new ATOM 304 N TYR A 23 4.251 1.074 -1.804 1.00 0.00 N ATOM 305 CA TYR A 23 4.600 2.105 -2.767 1.00 0.00 C ATOM 306 C TYR A 23 3.604 3.266 -2.712 1.00 0.00 C ATOM 307 O TYR A 23 2.419 3.060 -2.446 1.00 0.00 O ATOM 308 CB TYR A 23 4.517 1.444 -4.143 1.00 0.00 C ATOM 309 CG TYR A 23 5.329 2.155 -5.226 1.00 0.00 C ATOM 310 CD1 TYR A 23 4.781 3.219 -5.913 1.00 0.00 C ATOM 311 CD2 TYR A 23 6.612 1.734 -5.516 1.00 0.00 C ATOM 312 CE1 TYR A 23 5.546 3.890 -6.932 1.00 0.00 C ATOM 313 CE2 TYR A 23 7.377 2.405 -6.536 1.00 0.00 C ATOM 314 CZ TYR A 23 6.806 3.450 -7.193 1.00 0.00 C ATOM 315 OH TYR A 23 7.528 4.083 -8.156 1.00 0.00 O ATOM 0 H TYR A 23 3.506 0.445 -2.104 1.00 0.00 H new ATOM 0 HA TYR A 23 5.591 2.507 -2.556 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.864 0.414 -4.061 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.473 1.405 -4.453 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.778 3.549 -5.686 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.042 0.902 -4.978 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.128 4.724 -7.477 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.381 2.085 -6.773 1.00 0.00 H new ATOM 0 HH TYR A 23 8.410 3.662 -8.233 1.00 0.00 H new ATOM 325 N CYS A 24 4.119 4.459 -2.967 1.00 0.00 N ATOM 326 CA CYS A 24 3.290 5.652 -2.951 1.00 0.00 C ATOM 327 C CYS A 24 3.571 6.451 -4.224 1.00 0.00 C ATOM 328 O CYS A 24 4.712 6.830 -4.484 1.00 0.00 O ATOM 329 CB CYS A 24 3.524 6.486 -1.689 1.00 0.00 C ATOM 330 SG CYS A 24 4.098 5.534 -0.236 1.00 0.00 S ATOM 0 H CYS A 24 5.101 4.625 -3.186 1.00 0.00 H new ATOM 0 HA CYS A 24 2.238 5.367 -2.929 1.00 0.00 H new ATOM 0 HB2 CYS A 24 4.259 7.259 -1.913 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.596 6.994 -1.429 1.00 0.00 H new ATOM 335 N ARG A 25 2.512 6.685 -4.984 1.00 0.00 N ATOM 336 CA ARG A 25 2.630 7.432 -6.224 1.00 0.00 C ATOM 337 C ARG A 25 3.087 8.865 -5.939 1.00 0.00 C ATOM 338 O ARG A 25 4.034 9.352 -6.555 1.00 0.00 O ATOM 339 CB ARG A 25 1.299 7.469 -6.976 1.00 0.00 C ATOM 340 CG ARG A 25 1.522 7.623 -8.481 1.00 0.00 C ATOM 341 CD ARG A 25 2.616 8.652 -8.770 1.00 0.00 C ATOM 342 NE ARG A 25 3.950 8.035 -8.597 1.00 0.00 N ATOM 343 CZ ARG A 25 4.623 7.414 -9.575 1.00 0.00 C ATOM 344 NH1 ARG A 25 4.092 7.323 -10.802 1.00 0.00 N ATOM 345 NH2 ARG A 25 5.828 6.883 -9.327 1.00 0.00 N ATOM 0 H ARG A 25 1.567 6.370 -4.765 1.00 0.00 H new ATOM 0 HA ARG A 25 3.370 6.927 -6.845 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.741 6.553 -6.780 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.693 8.297 -6.608 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.800 6.661 -8.912 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.593 7.930 -8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 25 2.511 9.031 -9.787 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.511 9.505 -8.099 1.00 0.00 H new ATOM 0 HE ARG A 25 4.384 8.086 -7.675 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.175 7.727 -10.992 1.00 0.00 H new ATOM 0 HH12 ARG A 25 4.605 6.850 -11.546 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.233 6.951 -8.393 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.340 6.410 -10.072 1.00 0.00 H new ATOM 359 N PHE A 26 2.391 9.498 -5.006 1.00 0.00 N ATOM 360 CA PHE A 26 2.713 10.865 -4.632 1.00 0.00 C ATOM 361 C PHE A 26 3.610 10.898 -3.393 1.00 0.00 C ATOM 362 O PHE A 26 4.255 9.904 -3.064 1.00 0.00 O ATOM 363 CB PHE A 26 1.390 11.563 -4.308 1.00 0.00 C ATOM 364 CG PHE A 26 1.271 12.973 -4.889 1.00 0.00 C ATOM 365 CD1 PHE A 26 2.392 13.704 -5.133 1.00 0.00 C ATOM 366 CD2 PHE A 26 0.047 13.495 -5.161 1.00 0.00 C ATOM 367 CE1 PHE A 26 2.281 15.012 -5.673 1.00 0.00 C ATOM 368 CE2 PHE A 26 -0.065 14.803 -5.701 1.00 0.00 C ATOM 369 CZ PHE A 26 1.056 15.536 -5.946 1.00 0.00 C ATOM 0 H PHE A 26 1.606 9.090 -4.498 1.00 0.00 H new ATOM 0 HA PHE A 26 3.245 11.358 -5.446 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.568 10.955 -4.686 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.275 11.616 -3.225 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.365 13.290 -4.916 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.842 12.914 -4.966 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.171 15.592 -5.867 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.039 15.217 -5.917 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.973 16.532 -6.356 1.00 0.00 H new ATOM 379 N PHE A 27 3.622 12.051 -2.741 1.00 0.00 N ATOM 380 CA PHE A 27 4.429 12.226 -1.545 1.00 0.00 C ATOM 381 C PHE A 27 3.763 11.572 -0.332 1.00 0.00 C ATOM 382 O PHE A 27 4.339 10.683 0.293 1.00 0.00 O ATOM 383 CB PHE A 27 4.543 13.731 -1.300 1.00 0.00 C ATOM 384 CG PHE A 27 5.923 14.180 -0.815 1.00 0.00 C ATOM 385 CD1 PHE A 27 6.263 14.039 0.494 1.00 0.00 C ATOM 386 CD2 PHE A 27 6.811 14.719 -1.693 1.00 0.00 C ATOM 387 CE1 PHE A 27 7.544 14.455 0.944 1.00 0.00 C ATOM 388 CE2 PHE A 27 8.092 15.135 -1.245 1.00 0.00 C ATOM 389 CZ PHE A 27 8.431 14.995 0.065 1.00 0.00 C ATOM 0 H PHE A 27 3.086 12.873 -3.018 1.00 0.00 H new ATOM 0 HA PHE A 27 5.405 11.761 -1.683 1.00 0.00 H new ATOM 0 HB2 PHE A 27 4.305 14.258 -2.224 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.796 14.026 -0.563 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.559 13.611 1.192 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.541 14.831 -2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.814 14.343 1.984 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.797 15.562 -1.943 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.405 15.313 0.407 1.00 0.00 H new ATOM 399 N ASN A 28 2.558 12.038 -0.038 1.00 0.00 N ATOM 400 CA ASN A 28 1.807 11.508 1.089 1.00 0.00 C ATOM 401 C ASN A 28 0.315 11.532 0.758 1.00 0.00 C ATOM 402 O ASN A 28 -0.423 12.385 1.252 1.00 0.00 O ATOM 403 CB ASN A 28 2.026 12.357 2.343 1.00 0.00 C ATOM 404 CG ASN A 28 1.922 11.502 3.609 1.00 0.00 C ATOM 405 OD1 ASN A 28 2.865 10.852 4.030 1.00 0.00 O ATOM 406 ND2 ASN A 28 0.726 11.539 4.189 1.00 0.00 N ATOM 0 H ASN A 28 2.083 12.775 -0.559 1.00 0.00 H new ATOM 0 HA ASN A 28 2.151 10.491 1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.007 12.831 2.299 1.00 0.00 H new ATOM 0 HB3 ASN A 28 1.287 13.157 2.378 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.555 11.002 5.039 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.020 12.104 3.784 1.00 0.00 H new ATOM 413 N ALA A 29 -0.090 10.587 -0.078 1.00 0.00 N ATOM 414 CA ALA A 29 -1.482 10.488 -0.482 1.00 0.00 C ATOM 415 C ALA A 29 -1.785 9.051 -0.904 1.00 0.00 C ATOM 416 O ALA A 29 -2.291 8.259 -0.111 1.00 0.00 O ATOM 417 CB ALA A 29 -1.762 11.496 -1.598 1.00 0.00 C ATOM 0 H ALA A 29 0.523 9.882 -0.487 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.142 10.732 0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.806 11.422 -1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.560 12.504 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.120 11.281 -2.452 1.00 0.00 H new ATOM 423 N PHE A 30 -1.464 8.755 -2.156 1.00 0.00 N ATOM 424 CA PHE A 30 -1.696 7.426 -2.695 1.00 0.00 C ATOM 425 C PHE A 30 -0.540 6.485 -2.352 1.00 0.00 C ATOM 426 O PHE A 30 0.545 6.597 -2.920 1.00 0.00 O ATOM 427 CB PHE A 30 -1.787 7.568 -4.216 1.00 0.00 C ATOM 428 CG PHE A 30 -3.057 8.273 -4.699 1.00 0.00 C ATOM 429 CD1 PHE A 30 -4.233 7.591 -4.756 1.00 0.00 C ATOM 430 CD2 PHE A 30 -3.010 9.579 -5.074 1.00 0.00 C ATOM 431 CE1 PHE A 30 -5.411 8.244 -5.205 1.00 0.00 C ATOM 432 CE2 PHE A 30 -4.188 10.232 -5.523 1.00 0.00 C ATOM 433 CZ PHE A 30 -5.364 9.550 -5.579 1.00 0.00 C ATOM 0 H PHE A 30 -1.045 9.414 -2.812 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.608 7.008 -2.270 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.918 8.122 -4.572 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.740 6.577 -4.667 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.270 6.553 -4.460 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.076 10.120 -5.030 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.345 7.703 -5.249 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -4.151 11.270 -5.820 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.260 10.046 -5.921 1.00 0.00 H new ATOM 443 N CYS A 31 -0.811 5.580 -1.422 1.00 0.00 N ATOM 444 CA CYS A 31 0.194 4.622 -0.997 1.00 0.00 C ATOM 445 C CYS A 31 -0.511 3.307 -0.651 1.00 0.00 C ATOM 446 O CYS A 31 -1.390 3.278 0.209 1.00 0.00 O ATOM 447 CB CYS A 31 1.020 5.151 0.178 1.00 0.00 C ATOM 448 SG CYS A 31 2.656 4.357 0.385 1.00 0.00 S ATOM 0 H CYS A 31 -1.712 5.491 -0.952 1.00 0.00 H new ATOM 0 HA CYS A 31 0.903 4.452 -1.808 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.166 6.223 0.048 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.448 5.017 1.096 1.00 0.00 H new ATOM 453 N TYR A 32 -0.100 2.253 -1.340 1.00 0.00 N ATOM 454 CA TYR A 32 -0.681 0.942 -1.117 1.00 0.00 C ATOM 455 C TYR A 32 0.360 -0.162 -1.319 1.00 0.00 C ATOM 456 O TYR A 32 1.559 0.111 -1.359 1.00 0.00 O ATOM 457 CB TYR A 32 -1.783 0.783 -2.166 1.00 0.00 C ATOM 458 CG TYR A 32 -1.794 1.885 -3.227 1.00 0.00 C ATOM 459 CD1 TYR A 32 -0.814 1.917 -4.199 1.00 0.00 C ATOM 460 CD2 TYR A 32 -2.781 2.849 -3.214 1.00 0.00 C ATOM 461 CE1 TYR A 32 -0.823 2.954 -5.198 1.00 0.00 C ATOM 462 CE2 TYR A 32 -2.791 3.886 -4.213 1.00 0.00 C ATOM 463 CZ TYR A 32 -1.812 3.887 -5.155 1.00 0.00 C ATOM 464 OH TYR A 32 -1.820 4.866 -6.099 1.00 0.00 O ATOM 0 H TYR A 32 0.629 2.281 -2.053 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.059 0.860 -0.098 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -1.664 -0.182 -2.660 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.750 0.767 -1.663 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.040 1.164 -4.210 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -3.547 2.826 -2.453 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.062 2.990 -5.964 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -3.559 4.645 -4.213 1.00 0.00 H new ATOM 0 HH TYR A 32 -2.693 5.312 -6.100 1.00 0.00 H new ATOM 474 N CYS A 33 -0.135 -1.384 -1.440 1.00 0.00 N ATOM 475 CA CYS A 33 0.738 -2.529 -1.638 1.00 0.00 C ATOM 476 C CYS A 33 0.873 -2.777 -3.142 1.00 0.00 C ATOM 477 O CYS A 33 -0.090 -3.166 -3.800 1.00 0.00 O ATOM 478 CB CYS A 33 0.222 -3.766 -0.900 1.00 0.00 C ATOM 479 SG CYS A 33 0.814 -3.934 0.823 1.00 0.00 S ATOM 0 H CYS A 33 -1.130 -1.607 -1.405 1.00 0.00 H new ATOM 0 HA CYS A 33 1.721 -2.318 -1.217 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.868 -3.740 -0.894 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.517 -4.654 -1.459 1.00 0.00 H new ATOM 484 N ARG A 34 2.078 -2.541 -3.642 1.00 0.00 N ATOM 485 CA ARG A 34 2.352 -2.734 -5.055 1.00 0.00 C ATOM 486 C ARG A 34 3.486 -3.744 -5.242 1.00 0.00 C ATOM 487 O ARG A 34 4.652 -3.423 -5.014 1.00 0.00 O ATOM 488 CB ARG A 34 2.736 -1.414 -5.726 1.00 0.00 C ATOM 489 CG ARG A 34 2.039 -1.264 -7.081 1.00 0.00 C ATOM 490 CD ARG A 34 2.757 -2.080 -8.159 1.00 0.00 C ATOM 491 NE ARG A 34 1.765 -2.706 -9.061 1.00 0.00 N ATOM 492 CZ ARG A 34 1.187 -3.893 -8.834 1.00 0.00 C ATOM 493 NH1 ARG A 34 1.498 -4.589 -7.732 1.00 0.00 N ATOM 494 NH2 ARG A 34 0.299 -4.385 -9.708 1.00 0.00 N ATOM 0 H ARG A 34 2.875 -2.218 -3.093 1.00 0.00 H new ATOM 0 HA ARG A 34 1.443 -3.114 -5.521 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.464 -0.580 -5.079 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.817 -1.372 -5.862 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.003 -1.593 -7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.018 -0.213 -7.369 1.00 0.00 H new ATOM 0 HD2 ARG A 34 3.425 -1.436 -8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.375 -2.848 -7.695 1.00 0.00 H new ATOM 0 HE ARG A 34 1.505 -2.202 -9.909 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.174 -4.215 -7.067 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.058 -5.493 -7.559 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.062 -3.856 -10.547 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.141 -5.289 -9.534 1.00 0.00 H new TER 508 ARG A 34