USER MOD reduce.3.24.130724 H: found=0, std=0, add=124, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 107 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 SER N :NH3+ 147:sc= 0.13 (180deg=0.00481) USER MOD Single : A 1 SER OG : rot 180:sc= 0.112 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0823 USER MOD Single : A 7 THR OG1 : rot -121:sc= 0.0841 USER MOD Single : A 9 ASN : amide:sc= -0.734 K(o=-0.73,f=-1.9!) USER MOD Single : A 12 HIS : no HD1:sc= -0.0883 X(o=-0.088,f=-0.24) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot -176:sc= -1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.451 -4.629 4.432 1.00 0.00 N ATOM 2 CA SER A 1 6.162 -5.629 3.593 1.00 0.00 C ATOM 3 C SER A 1 7.029 -4.948 2.539 1.00 0.00 C ATOM 4 O SER A 1 6.518 -4.359 1.587 1.00 0.00 O ATOM 5 CB SER A 1 5.123 -6.529 2.921 1.00 0.00 C ATOM 6 OG SER A 1 4.125 -6.933 3.843 1.00 0.00 O ATOM 0 H1 SER A 1 4.526 -5.009 4.716 1.00 0.00 H new ATOM 0 H2 SER A 1 6.016 -4.423 5.281 1.00 0.00 H new ATOM 0 H3 SER A 1 5.313 -3.754 3.887 1.00 0.00 H new ATOM 0 HA SER A 1 6.821 -6.223 4.226 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.660 -5.997 2.089 1.00 0.00 H new ATOM 0 HB3 SER A 1 5.614 -7.408 2.504 1.00 0.00 H new ATOM 0 HG SER A 1 3.472 -7.506 3.389 1.00 0.00 H new ATOM 14 N GLY A 2 8.343 -5.033 2.717 1.00 0.00 N ATOM 15 CA GLY A 2 9.260 -4.421 1.773 1.00 0.00 C ATOM 16 C GLY A 2 9.245 -2.907 1.849 1.00 0.00 C ATOM 17 O GLY A 2 10.059 -2.306 2.550 1.00 0.00 O ATOM 0 H GLY A 2 8.789 -5.514 3.498 1.00 0.00 H new ATOM 0 HA2 GLY A 2 10.270 -4.781 1.967 1.00 0.00 H new ATOM 0 HA3 GLY A 2 8.998 -4.734 0.762 1.00 0.00 H new ATOM 21 N THR A 3 8.316 -2.289 1.125 1.00 0.00 N ATOM 22 CA THR A 3 8.196 -0.835 1.112 1.00 0.00 C ATOM 23 C THR A 3 9.446 -0.191 0.519 1.00 0.00 C ATOM 24 O THR A 3 10.566 -0.496 0.927 1.00 0.00 O ATOM 25 CB THR A 3 7.958 -0.307 2.528 1.00 0.00 C ATOM 26 OG1 THR A 3 7.284 -1.272 3.316 1.00 0.00 O ATOM 27 CG2 THR A 3 7.141 0.966 2.562 1.00 0.00 C ATOM 0 H THR A 3 7.635 -2.773 0.540 1.00 0.00 H new ATOM 0 HA THR A 3 7.342 -0.572 0.487 1.00 0.00 H new ATOM 0 HB THR A 3 8.949 -0.094 2.928 1.00 0.00 H new ATOM 0 HG1 THR A 3 7.143 -0.917 4.218 1.00 0.00 H new ATOM 0 HG21 THR A 3 7.009 1.286 3.596 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.659 1.746 2.004 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.165 0.784 2.111 1.00 0.00 H new ATOM 32 N GLU A 4 9.244 0.701 -0.444 1.00 0.00 N ATOM 33 CA GLU A 4 10.354 1.389 -1.094 1.00 0.00 C ATOM 34 C GLU A 4 9.934 2.779 -1.561 1.00 0.00 C ATOM 35 O GLU A 4 10.639 3.762 -1.330 1.00 0.00 O ATOM 36 CB GLU A 4 10.864 0.571 -2.282 1.00 0.00 C ATOM 37 CG GLU A 4 9.766 0.148 -3.244 1.00 0.00 C ATOM 38 CD GLU A 4 9.650 1.073 -4.439 1.00 0.00 C ATOM 39 OE1 GLU A 4 10.127 2.224 -4.348 1.00 0.00 O ATOM 40 OE2 GLU A 4 9.080 0.648 -5.466 1.00 0.00 O ATOM 0 H GLU A 4 8.322 0.965 -0.792 1.00 0.00 H new ATOM 0 HA GLU A 4 11.158 1.498 -0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 4 11.605 1.157 -2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 4 11.372 -0.319 -1.909 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.964 -0.866 -3.592 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.814 0.123 -2.714 1.00 0.00 H new ATOM 47 N ALA A 5 8.781 2.853 -2.219 1.00 0.00 N ATOM 48 CA ALA A 5 8.267 4.122 -2.719 1.00 0.00 C ATOM 49 C ALA A 5 8.064 5.118 -1.581 1.00 0.00 C ATOM 50 O ALA A 5 8.536 4.905 -0.465 1.00 0.00 O ATOM 51 CB ALA A 5 6.963 3.902 -3.471 1.00 0.00 C ATOM 0 H ALA A 5 8.186 2.049 -2.418 1.00 0.00 H new ATOM 0 HA ALA A 5 9.003 4.541 -3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.590 4.858 -3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.137 3.232 -4.313 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.227 3.459 -2.801 1.00 0.00 H new ATOM 57 N GLU A 6 7.358 6.207 -1.872 1.00 0.00 N ATOM 58 CA GLU A 6 7.093 7.236 -0.873 1.00 0.00 C ATOM 59 C GLU A 6 6.362 6.652 0.332 1.00 0.00 C ATOM 60 O GLU A 6 6.516 7.132 1.456 1.00 0.00 O ATOM 61 CB GLU A 6 6.266 8.369 -1.485 1.00 0.00 C ATOM 62 CG GLU A 6 7.038 9.212 -2.486 1.00 0.00 C ATOM 63 CD GLU A 6 8.177 9.981 -1.846 1.00 0.00 C ATOM 64 OE1 GLU A 6 7.933 11.101 -1.351 1.00 0.00 O ATOM 65 OE2 GLU A 6 9.313 9.463 -1.840 1.00 0.00 O ATOM 0 H GLU A 6 6.960 6.399 -2.791 1.00 0.00 H new ATOM 0 HA GLU A 6 8.050 7.634 -0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.392 7.944 -1.978 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.900 9.013 -0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.435 8.566 -3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 6 6.356 9.913 -2.967 1.00 0.00 H new ATOM 72 N THR A 7 5.567 5.614 0.091 1.00 0.00 N ATOM 73 CA THR A 7 4.814 4.965 1.158 1.00 0.00 C ATOM 74 C THR A 7 4.132 3.700 0.651 1.00 0.00 C ATOM 75 O THR A 7 4.120 2.673 1.330 1.00 0.00 O ATOM 76 CB THR A 7 3.771 5.926 1.732 1.00 0.00 C ATOM 77 OG1 THR A 7 2.891 5.245 2.608 1.00 0.00 O ATOM 78 CG2 THR A 7 2.931 6.601 0.670 1.00 0.00 C ATOM 0 H THR A 7 5.428 5.205 -0.833 1.00 0.00 H new ATOM 0 HA THR A 7 5.514 4.687 1.946 1.00 0.00 H new ATOM 0 HB THR A 7 4.341 6.690 2.260 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.971 5.335 2.283 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.212 7.269 1.145 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.577 7.176 0.006 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.398 5.845 0.093 1.00 0.00 H new ATOM 83 N GLU A 8 3.565 3.782 -0.547 1.00 0.00 N ATOM 84 CA GLU A 8 2.880 2.644 -1.149 1.00 0.00 C ATOM 85 C GLU A 8 1.721 2.179 -0.272 1.00 0.00 C ATOM 86 O GLU A 8 1.385 0.995 -0.248 1.00 0.00 O ATOM 87 CB GLU A 8 3.860 1.491 -1.373 1.00 0.00 C ATOM 88 CG GLU A 8 3.501 0.609 -2.557 1.00 0.00 C ATOM 89 CD GLU A 8 4.624 -0.335 -2.942 1.00 0.00 C ATOM 90 OE1 GLU A 8 5.035 -1.148 -2.088 1.00 0.00 O ATOM 91 OE2 GLU A 8 5.092 -0.261 -4.098 1.00 0.00 O ATOM 0 H GLU A 8 3.566 4.625 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 8 2.479 2.962 -2.111 1.00 0.00 H new ATOM 0 HB2 GLU A 8 4.859 1.899 -1.524 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.899 0.878 -0.473 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.610 0.029 -2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.251 1.238 -3.411 1.00 0.00 H new ATOM 98 N ASN A 9 1.116 3.119 0.447 1.00 0.00 N ATOM 99 CA ASN A 9 -0.005 2.805 1.325 1.00 0.00 C ATOM 100 C ASN A 9 -0.612 4.076 1.908 1.00 0.00 C ATOM 101 O ASN A 9 -0.085 4.647 2.864 1.00 0.00 O ATOM 102 CB ASN A 9 0.449 1.878 2.455 1.00 0.00 C ATOM 103 CG ASN A 9 -0.699 1.444 3.344 1.00 0.00 C ATOM 104 OD1 ASN A 9 -1.366 2.271 3.965 1.00 0.00 O ATOM 105 ND2 ASN A 9 -0.936 0.139 3.409 1.00 0.00 N ATOM 0 H ASN A 9 1.383 4.103 0.439 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.767 2.299 0.733 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.927 0.997 2.028 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.200 2.387 3.059 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -1.696 -0.213 3.991 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.358 -0.511 2.877 1.00 0.00 H new ATOM 110 N PHE A 10 -1.724 4.516 1.327 1.00 0.00 N ATOM 111 CA PHE A 10 -2.403 5.721 1.789 1.00 0.00 C ATOM 112 C PHE A 10 -3.910 5.608 1.584 1.00 0.00 C ATOM 113 O PHE A 10 -4.690 5.816 2.514 1.00 0.00 O ATOM 114 CB PHE A 10 -1.867 6.949 1.051 1.00 0.00 C ATOM 115 CG PHE A 10 -1.754 6.755 -0.435 1.00 0.00 C ATOM 116 CD1 PHE A 10 -0.700 6.035 -0.974 1.00 0.00 C ATOM 117 CD2 PHE A 10 -2.701 7.292 -1.291 1.00 0.00 C ATOM 118 CE1 PHE A 10 -0.593 5.854 -2.340 1.00 0.00 C ATOM 119 CE2 PHE A 10 -2.600 7.116 -2.658 1.00 0.00 C ATOM 120 CZ PHE A 10 -1.544 6.396 -3.183 1.00 0.00 C ATOM 0 H PHE A 10 -2.174 4.056 0.535 1.00 0.00 H new ATOM 0 HA PHE A 10 -2.206 5.833 2.855 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.523 7.797 1.250 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.886 7.204 1.452 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.047 5.610 -0.319 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.528 7.855 -0.885 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.233 5.290 -2.748 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.345 7.540 -3.315 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.462 6.257 -4.251 1.00 0.00 H new ATOM 130 N VAL A 11 -4.313 5.277 0.362 1.00 0.00 N ATOM 131 CA VAL A 11 -5.727 5.136 0.036 1.00 0.00 C ATOM 132 C VAL A 11 -5.935 4.127 -1.088 1.00 0.00 C ATOM 133 O VAL A 11 -6.797 3.254 -1.002 1.00 0.00 O ATOM 134 CB VAL A 11 -6.346 6.484 -0.380 1.00 0.00 C ATOM 135 CG1 VAL A 11 -7.855 6.359 -0.521 1.00 0.00 C ATOM 136 CG2 VAL A 11 -5.985 7.568 0.624 1.00 0.00 C ATOM 0 H VAL A 11 -3.681 5.101 -0.419 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.224 4.779 0.938 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.937 6.767 -1.350 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.274 7.321 -0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.089 5.614 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.285 6.052 0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.430 8.513 0.315 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.364 7.293 1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.901 7.675 0.670 1.00 0.00 H new ATOM 140 N HIS A 12 -5.138 4.257 -2.141 1.00 0.00 N ATOM 141 CA HIS A 12 -5.231 3.359 -3.286 1.00 0.00 C ATOM 142 C HIS A 12 -4.527 2.033 -3.002 1.00 0.00 C ATOM 143 O HIS A 12 -5.152 0.972 -3.029 1.00 0.00 O ATOM 144 CB HIS A 12 -4.625 4.018 -4.528 1.00 0.00 C ATOM 145 CG HIS A 12 -5.642 4.657 -5.421 1.00 0.00 C ATOM 146 ND1 HIS A 12 -6.749 3.989 -5.902 1.00 0.00 N ATOM 147 CD2 HIS A 12 -5.718 5.914 -5.921 1.00 0.00 C ATOM 148 CE1 HIS A 12 -7.459 4.806 -6.660 1.00 0.00 C ATOM 149 NE2 HIS A 12 -6.855 5.979 -6.687 1.00 0.00 N ATOM 0 H HIS A 12 -4.419 4.976 -2.226 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.286 3.154 -3.469 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.904 4.772 -4.214 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -4.075 3.268 -5.096 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.015 6.715 -5.749 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -8.377 4.556 -7.171 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.181 6.801 -7.195 1.00 0.00 H new ATOM 158 N PRO A 13 -3.212 2.074 -2.726 1.00 0.00 N ATOM 159 CA PRO A 13 -2.427 0.870 -2.439 1.00 0.00 C ATOM 160 C PRO A 13 -2.669 0.329 -1.031 1.00 0.00 C ATOM 161 O PRO A 13 -2.171 -0.740 -0.677 1.00 0.00 O ATOM 162 CB PRO A 13 -0.986 1.354 -2.585 1.00 0.00 C ATOM 163 CG PRO A 13 -1.037 2.798 -2.226 1.00 0.00 C ATOM 164 CD PRO A 13 -2.386 3.297 -2.674 1.00 0.00 C ATOM 0 HA PRO A 13 -2.689 0.045 -3.102 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.315 0.805 -1.925 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.621 1.211 -3.602 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.908 2.937 -1.153 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.235 3.350 -2.717 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.795 4.027 -1.976 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.330 3.784 -3.648 1.00 0.00 H new ATOM 172 N THR A 14 -3.432 1.069 -0.231 1.00 0.00 N ATOM 173 CA THR A 14 -3.732 0.655 1.135 1.00 0.00 C ATOM 174 C THR A 14 -4.404 -0.715 1.156 1.00 0.00 C ATOM 175 O THR A 14 -5.546 -0.864 0.721 1.00 0.00 O ATOM 176 CB THR A 14 -4.631 1.688 1.818 1.00 0.00 C ATOM 177 OG1 THR A 14 -4.817 1.364 3.185 1.00 0.00 O ATOM 178 CG2 THR A 14 -6.000 1.805 1.184 1.00 0.00 C ATOM 0 H THR A 14 -3.853 1.957 -0.505 1.00 0.00 H new ATOM 0 HA THR A 14 -2.791 0.585 1.680 1.00 0.00 H new ATOM 0 HB THR A 14 -4.114 2.641 1.703 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.393 2.037 3.605 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.585 2.554 1.717 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.894 2.102 0.141 1.00 0.00 H new ATOM 0 HG23 THR A 14 -6.509 0.843 1.237 1.00 0.00 H new ATOM 183 N GLY A 15 -3.688 -1.713 1.663 1.00 0.00 N ATOM 184 CA GLY A 15 -4.231 -3.056 1.731 1.00 0.00 C ATOM 185 C GLY A 15 -3.158 -4.122 1.627 1.00 0.00 C ATOM 186 O GLY A 15 -2.224 -3.997 0.834 1.00 0.00 O ATOM 0 H GLY A 15 -2.741 -1.615 2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.771 -3.179 2.670 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.954 -3.193 0.927 1.00 0.00 H new ATOM 190 N SER A 16 -3.290 -5.172 2.431 1.00 0.00 N ATOM 191 CA SER A 16 -2.323 -6.265 2.426 1.00 0.00 C ATOM 192 C SER A 16 -2.927 -7.523 1.811 1.00 0.00 C ATOM 193 O SER A 16 -2.224 -8.322 1.193 1.00 0.00 O ATOM 194 CB SER A 16 -1.847 -6.558 3.850 1.00 0.00 C ATOM 195 OG SER A 16 -0.710 -5.779 4.179 1.00 0.00 O ATOM 0 H SER A 16 -4.056 -5.290 3.094 1.00 0.00 H new ATOM 0 HA SER A 16 -1.470 -5.960 1.820 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.651 -6.349 4.556 1.00 0.00 H new ATOM 0 HB3 SER A 16 -1.606 -7.617 3.945 1.00 0.00 H new ATOM 0 HG SER A 16 -0.427 -5.984 5.095 1.00 0.00 H new ATOM 201 N SER A 17 -4.234 -7.692 1.984 1.00 0.00 N ATOM 202 CA SER A 17 -4.932 -8.853 1.445 1.00 0.00 C ATOM 203 C SER A 17 -4.806 -8.907 -0.074 1.00 0.00 C ATOM 204 O SER A 17 -4.056 -9.720 -0.616 1.00 0.00 O ATOM 205 CB SER A 17 -6.408 -8.817 1.845 1.00 0.00 C ATOM 206 OG SER A 17 -6.616 -9.464 3.088 1.00 0.00 O ATOM 0 H SER A 17 -4.831 -7.040 2.493 1.00 0.00 H new ATOM 0 HA SER A 17 -4.471 -9.749 1.861 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.745 -7.783 1.909 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.009 -9.301 1.075 1.00 0.00 H new ATOM 0 HG SER A 17 -7.567 -9.426 3.322 1.00 0.00 H new ATOM 212 N ARG A 18 -5.544 -8.037 -0.756 1.00 0.00 N ATOM 213 CA ARG A 18 -5.514 -7.986 -2.213 1.00 0.00 C ATOM 214 C ARG A 18 -4.805 -6.727 -2.699 1.00 0.00 C ATOM 215 O ARG A 18 -3.703 -6.794 -3.243 1.00 0.00 O ATOM 216 CB ARG A 18 -6.936 -8.034 -2.775 1.00 0.00 C ATOM 217 CG ARG A 18 -6.991 -8.022 -4.294 1.00 0.00 C ATOM 218 CD ARG A 18 -7.115 -9.428 -4.858 1.00 0.00 C ATOM 219 NE ARG A 18 -8.298 -10.119 -4.350 1.00 0.00 N ATOM 220 CZ ARG A 18 -8.703 -11.311 -4.782 1.00 0.00 C ATOM 221 NH1 ARG A 18 -8.024 -11.947 -5.728 1.00 0.00 N ATOM 222 NH2 ARG A 18 -9.790 -11.869 -4.266 1.00 0.00 N ATOM 0 H ARG A 18 -6.170 -7.358 -0.323 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.960 -8.854 -2.571 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.432 -8.933 -2.409 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.498 -7.182 -2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.838 -7.421 -4.624 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.092 -7.549 -4.688 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.163 -9.379 -5.946 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.223 -10.001 -4.603 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.846 -9.661 -3.622 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.187 -11.523 -6.128 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.339 -12.860 -6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.315 -11.385 -3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.100 -12.782 -4.597 1.00 0.00 H new ATOM 236 N SER A 19 -5.444 -5.579 -2.499 1.00 0.00 N ATOM 237 CA SER A 19 -4.874 -4.303 -2.917 1.00 0.00 C ATOM 238 C SER A 19 -4.645 -4.278 -4.424 1.00 0.00 C ATOM 239 O SER A 19 -5.053 -3.336 -5.100 1.00 99.99 O ATOM 240 CB SER A 19 -3.556 -4.046 -2.184 1.00 0.00 C ATOM 241 OG SER A 19 -3.769 -3.306 -0.995 1.00 0.00 O ATOM 0 H SER A 19 -6.357 -5.506 -2.050 1.00 0.00 H new ATOM 0 HA SER A 19 -5.583 -3.515 -2.663 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.079 -4.996 -1.944 1.00 0.00 H new ATOM 0 HB3 SER A 19 -2.873 -3.502 -2.837 1.00 0.00 H new ATOM 0 HG SER A 19 -2.906 -3.095 -0.582 1.00 0.00 H new TER 247 SER A 19