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 Set 1.1: A 7 THR OG1 : rot 4:sc= -0.589 USER MOD Set 1.2: A 9 ASN : amide:sc= -2.79 K(o=-3.4,f=-4.2!) USER MOD Set 2.1: A 3 THR OG1 : rot 170:sc= -1.6 USER MOD Set 2.2: A 12 HIS : no HD1:sc= -1.45 X(o=-3.1,f=-3.1) USER MOD Single : A 1 SER N :NH3+ 151:sc= 0.252 (180deg=-0.0694) USER MOD Single : A 1 SER OG : rot 180:sc= 0.138 USER MOD Single : A 14 THR OG1 : rot -47:sc= 0.749 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -3.709 3.767 -13.899 1.00 0.00 N ATOM 2 CA SER A 1 -3.546 5.220 -14.162 1.00 0.00 C ATOM 3 C SER A 1 -3.604 6.025 -12.868 1.00 0.00 C ATOM 4 O SER A 1 -4.170 7.117 -12.829 1.00 0.00 O ATOM 5 CB SER A 1 -4.654 5.672 -15.113 1.00 0.00 C ATOM 6 OG SER A 1 -4.950 4.665 -16.067 1.00 0.00 O ATOM 0 H1 SER A 1 -4.146 3.312 -14.725 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.778 3.340 -13.721 1.00 0.00 H new ATOM 0 H3 SER A 1 -4.317 3.631 -13.066 1.00 0.00 H new ATOM 0 HA SER A 1 -2.569 5.393 -14.614 1.00 0.00 H new ATOM 0 HB2 SER A 1 -5.551 5.912 -14.543 1.00 0.00 H new ATOM 0 HB3 SER A 1 -4.348 6.584 -15.625 1.00 0.00 H new ATOM 0 HG SER A 1 -5.663 4.978 -16.662 1.00 0.00 H new ATOM 14 N GLY A 2 -3.014 5.477 -11.809 1.00 0.00 N ATOM 15 CA GLY A 2 -3.010 6.158 -10.528 1.00 0.00 C ATOM 16 C GLY A 2 -2.119 5.473 -9.510 1.00 0.00 C ATOM 17 O GLY A 2 -1.448 4.490 -9.824 1.00 0.00 O ATOM 0 H GLY A 2 -2.539 4.574 -11.816 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -2.674 7.186 -10.667 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.028 6.205 -10.142 1.00 0.00 H new ATOM 21 N THR A 3 -2.111 5.995 -8.288 1.00 0.00 N ATOM 22 CA THR A 3 -1.295 5.428 -7.221 1.00 0.00 C ATOM 23 C THR A 3 0.185 5.466 -7.588 1.00 0.00 C ATOM 24 O THR A 3 0.718 4.510 -8.150 1.00 0.00 O ATOM 25 CB THR A 3 -1.725 3.989 -6.932 1.00 0.00 C ATOM 26 OG1 THR A 3 -3.123 3.839 -7.102 1.00 0.00 O ATOM 27 CG2 THR A 3 -1.381 3.532 -5.531 1.00 0.00 C ATOM 0 H THR A 3 -2.660 6.809 -8.012 1.00 0.00 H new ATOM 0 HA THR A 3 -1.443 6.031 -6.325 1.00 0.00 H new ATOM 0 HB THR A 3 -1.173 3.374 -7.643 1.00 0.00 H new ATOM 0 HG1 THR A 3 -3.356 2.888 -7.071 1.00 0.00 H new ATOM 0 HG21 THR A 3 -1.713 2.503 -5.392 1.00 0.00 H new ATOM 0 HG22 THR A 3 -0.302 3.588 -5.385 1.00 0.00 H new ATOM 0 HG23 THR A 3 -1.879 4.175 -4.806 1.00 0.00 H new ATOM 32 N GLU A 4 0.841 6.576 -7.267 1.00 0.00 N ATOM 33 CA GLU A 4 2.259 6.737 -7.563 1.00 0.00 C ATOM 34 C GLU A 4 2.919 7.687 -6.568 1.00 0.00 C ATOM 35 O GLU A 4 3.862 8.400 -6.907 1.00 0.00 O ATOM 36 CB GLU A 4 2.448 7.263 -8.988 1.00 0.00 C ATOM 37 CG GLU A 4 2.556 6.165 -10.033 1.00 0.00 C ATOM 38 CD GLU A 4 3.852 5.383 -9.925 1.00 0.00 C ATOM 39 OE1 GLU A 4 4.478 5.421 -8.845 1.00 0.00 O ATOM 40 OE2 GLU A 4 4.238 4.735 -10.920 1.00 0.00 O ATOM 0 H GLU A 4 0.413 7.377 -6.802 1.00 0.00 H new ATOM 0 HA GLU A 4 2.735 5.760 -7.477 1.00 0.00 H new ATOM 0 HB2 GLU A 4 1.610 7.912 -9.241 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.348 7.876 -9.023 1.00 0.00 H new ATOM 0 HG2 GLU A 4 1.714 5.482 -9.925 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.484 6.606 -11.027 1.00 0.00 H new ATOM 47 N ALA A 5 2.416 7.689 -5.338 1.00 0.00 N ATOM 48 CA ALA A 5 2.955 8.550 -4.293 1.00 0.00 C ATOM 49 C ALA A 5 4.257 7.984 -3.735 1.00 0.00 C ATOM 50 O ALA A 5 4.636 6.853 -4.039 1.00 0.00 O ATOM 51 CB ALA A 5 1.936 8.730 -3.179 1.00 0.00 C ATOM 0 H ALA A 5 1.635 7.103 -5.041 1.00 0.00 H new ATOM 0 HA ALA A 5 3.170 9.524 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.353 9.375 -2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 5 1.032 9.185 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 5 1.692 7.759 -2.749 1.00 0.00 H new ATOM 57 N GLU A 6 4.939 8.780 -2.916 1.00 0.00 N ATOM 58 CA GLU A 6 6.200 8.359 -2.314 1.00 0.00 C ATOM 59 C GLU A 6 5.973 7.667 -0.970 1.00 0.00 C ATOM 60 O GLU A 6 6.903 7.520 -0.177 1.00 0.00 O ATOM 61 CB GLU A 6 7.124 9.563 -2.127 1.00 0.00 C ATOM 62 CG GLU A 6 7.849 9.976 -3.399 1.00 0.00 C ATOM 63 CD GLU A 6 9.293 10.364 -3.146 1.00 0.00 C ATOM 64 OE1 GLU A 6 9.585 10.875 -2.045 1.00 0.00 O ATOM 65 OE2 GLU A 6 10.129 10.157 -4.050 1.00 0.00 O ATOM 0 H GLU A 6 4.640 9.719 -2.654 1.00 0.00 H new ATOM 0 HA GLU A 6 6.669 7.644 -2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.539 10.407 -1.762 1.00 0.00 H new ATOM 0 HB3 GLU A 6 7.861 9.330 -1.358 1.00 0.00 H new ATOM 0 HG2 GLU A 6 7.817 9.154 -4.114 1.00 0.00 H new ATOM 0 HG3 GLU A 6 7.325 10.816 -3.855 1.00 0.00 H new ATOM 72 N THR A 7 4.737 7.243 -0.715 1.00 0.00 N ATOM 73 CA THR A 7 4.404 6.569 0.533 1.00 0.00 C ATOM 74 C THR A 7 4.082 5.098 0.291 1.00 0.00 C ATOM 75 O THR A 7 4.370 4.242 1.127 1.00 0.00 O ATOM 76 CB THR A 7 3.218 7.258 1.209 1.00 0.00 C ATOM 77 OG1 THR A 7 2.697 6.453 2.253 1.00 0.00 O ATOM 78 CG2 THR A 7 2.082 7.565 0.257 1.00 0.00 C ATOM 0 H THR A 7 3.952 7.355 -1.357 1.00 0.00 H new ATOM 0 HA THR A 7 5.272 6.628 1.189 1.00 0.00 H new ATOM 0 HB THR A 7 3.613 8.198 1.595 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.250 5.650 2.354 1.00 0.00 H new ATOM 0 HG21 THR A 7 1.273 8.053 0.801 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.438 8.226 -0.533 1.00 0.00 H new ATOM 0 HG23 THR A 7 1.715 6.638 -0.183 1.00 0.00 H new ATOM 83 N GLU A 8 3.484 4.811 -0.861 1.00 0.00 N ATOM 84 CA GLU A 8 3.122 3.443 -1.217 1.00 0.00 C ATOM 85 C GLU A 8 2.150 2.852 -0.200 1.00 0.00 C ATOM 86 O GLU A 8 2.111 1.639 0.002 1.00 0.00 O ATOM 87 CB GLU A 8 4.376 2.571 -1.308 1.00 0.00 C ATOM 88 CG GLU A 8 4.176 1.301 -2.119 1.00 0.00 C ATOM 89 CD GLU A 8 4.871 0.102 -1.506 1.00 0.00 C ATOM 90 OE1 GLU A 8 4.404 -0.380 -0.453 1.00 0.00 O ATOM 91 OE2 GLU A 8 5.882 -0.355 -2.079 1.00 0.00 O ATOM 0 H GLU A 8 3.240 5.508 -1.565 1.00 0.00 H new ATOM 0 HA GLU A 8 2.630 3.466 -2.189 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.182 3.154 -1.754 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.696 2.303 -0.301 1.00 0.00 H new ATOM 0 HG2 GLU A 8 3.109 1.093 -2.205 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.553 1.457 -3.130 1.00 0.00 H new ATOM 98 N ASN A 9 1.365 3.717 0.437 1.00 0.00 N ATOM 99 CA ASN A 9 0.392 3.277 1.432 1.00 0.00 C ATOM 100 C ASN A 9 -0.388 4.463 1.992 1.00 0.00 C ATOM 101 O ASN A 9 -0.021 5.030 3.021 1.00 0.00 O ATOM 102 CB ASN A 9 1.091 2.528 2.570 1.00 0.00 C ATOM 103 CG ASN A 9 2.355 3.224 3.036 1.00 0.00 C ATOM 104 OD1 ASN A 9 2.312 4.352 3.527 1.00 0.00 O ATOM 105 ND2 ASN A 9 3.490 2.553 2.884 1.00 0.00 N ATOM 0 H ASN A 9 1.384 4.725 0.282 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.309 2.602 0.941 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.404 2.429 3.411 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.337 1.519 2.239 1.00 0.00 H new ATOM 0 HD21 ASN A 9 4.373 2.970 3.179 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.480 1.620 2.472 1.00 0.00 H new ATOM 110 N PHE A 10 -1.466 4.833 1.307 1.00 0.00 N ATOM 111 CA PHE A 10 -2.297 5.951 1.739 1.00 0.00 C ATOM 112 C PHE A 10 -3.778 5.597 1.656 1.00 0.00 C ATOM 113 O PHE A 10 -4.496 5.658 2.655 1.00 0.00 O ATOM 114 CB PHE A 10 -2.006 7.193 0.891 1.00 0.00 C ATOM 115 CG PHE A 10 -1.847 6.901 -0.574 1.00 0.00 C ATOM 116 CD1 PHE A 10 -0.707 6.273 -1.049 1.00 0.00 C ATOM 117 CD2 PHE A 10 -2.836 7.256 -1.477 1.00 0.00 C ATOM 118 CE1 PHE A 10 -0.558 6.004 -2.396 1.00 0.00 C ATOM 119 CE2 PHE A 10 -2.693 6.990 -2.825 1.00 0.00 C ATOM 120 CZ PHE A 10 -1.551 6.362 -3.285 1.00 0.00 C ATOM 0 H PHE A 10 -1.784 4.376 0.452 1.00 0.00 H new ATOM 0 HA PHE A 10 -2.054 6.167 2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.816 7.910 1.024 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.096 7.668 1.259 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.074 5.991 -0.359 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.730 7.747 -1.122 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.336 5.514 -2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -3.472 7.272 -3.518 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.436 6.152 -4.338 1.00 0.00 H new ATOM 130 N VAL A 11 -4.231 5.226 0.462 1.00 0.00 N ATOM 131 CA VAL A 11 -5.629 4.864 0.254 1.00 0.00 C ATOM 132 C VAL A 11 -5.787 3.939 -0.948 1.00 0.00 C ATOM 133 O VAL A 11 -6.494 2.935 -0.881 1.00 0.00 O ATOM 134 CB VAL A 11 -6.510 6.114 0.051 1.00 0.00 C ATOM 135 CG1 VAL A 11 -7.968 5.723 -0.141 1.00 0.00 C ATOM 136 CG2 VAL A 11 -6.359 7.066 1.227 1.00 0.00 C ATOM 0 H VAL A 11 -3.651 5.168 -0.375 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.957 4.342 1.153 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.176 6.625 -0.852 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.570 6.621 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.060 5.082 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.320 5.185 0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.987 7.943 1.068 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.664 6.562 2.144 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.318 7.376 1.313 1.00 0.00 H new ATOM 140 N HIS A 12 -5.126 4.286 -2.046 1.00 0.00 N ATOM 141 CA HIS A 12 -5.195 3.487 -3.265 1.00 0.00 C ATOM 142 C HIS A 12 -4.847 2.027 -2.981 1.00 0.00 C ATOM 143 O HIS A 12 -5.656 1.130 -3.222 1.00 0.00 O ATOM 144 CB HIS A 12 -4.256 4.056 -4.330 1.00 0.00 C ATOM 145 CG HIS A 12 -4.954 4.900 -5.352 1.00 0.00 C ATOM 146 ND1 HIS A 12 -4.505 6.148 -5.732 1.00 0.00 N ATOM 147 CD2 HIS A 12 -6.075 4.669 -6.074 1.00 0.00 C ATOM 148 CE1 HIS A 12 -5.322 6.648 -6.642 1.00 0.00 C ATOM 149 NE2 HIS A 12 -6.282 5.770 -6.869 1.00 0.00 N ATOM 0 H HIS A 12 -4.536 5.115 -2.118 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.218 3.529 -3.639 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.485 4.653 -3.842 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.750 3.233 -4.834 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -6.692 3.784 -6.033 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -5.222 7.612 -7.119 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -7.052 5.890 -7.527 1.00 0.00 H new ATOM 158 N PRO A 13 -3.635 1.767 -2.458 1.00 0.00 N ATOM 159 CA PRO A 13 -3.188 0.411 -2.138 1.00 0.00 C ATOM 160 C PRO A 13 -3.714 -0.071 -0.789 1.00 0.00 C ATOM 161 O PRO A 13 -2.946 -0.523 0.061 1.00 0.00 O ATOM 162 CB PRO A 13 -1.671 0.562 -2.097 1.00 0.00 C ATOM 163 CG PRO A 13 -1.453 1.953 -1.608 1.00 0.00 C ATOM 164 CD PRO A 13 -2.604 2.774 -2.135 1.00 0.00 C ATOM 0 HA PRO A 13 -3.546 -0.326 -2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.216 -0.170 -1.430 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.230 0.413 -3.082 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.422 1.982 -0.519 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.501 2.345 -1.964 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.960 3.487 -1.392 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.316 3.348 -3.015 1.00 0.00 H new ATOM 172 N THR A 14 -5.026 0.030 -0.596 1.00 0.00 N ATOM 173 CA THR A 14 -5.649 -0.393 0.653 1.00 0.00 C ATOM 174 C THR A 14 -6.314 -1.756 0.493 1.00 0.00 C ATOM 175 O THR A 14 -7.366 -2.018 1.078 1.00 0.00 O ATOM 176 CB THR A 14 -6.679 0.642 1.110 1.00 0.00 C ATOM 177 OG1 THR A 14 -7.203 0.299 2.380 1.00 0.00 O ATOM 178 CG2 THR A 14 -7.846 0.788 0.157 1.00 0.00 C ATOM 0 H THR A 14 -5.677 0.401 -1.288 1.00 0.00 H new ATOM 0 HA THR A 14 -4.869 -0.476 1.410 1.00 0.00 H new ATOM 0 HB THR A 14 -6.140 1.589 1.146 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.455 -0.648 2.385 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.538 1.537 0.541 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.480 1.100 -0.821 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.361 -0.168 0.064 1.00 0.00 H new ATOM 183 N GLY A 15 -5.696 -2.623 -0.303 1.00 0.00 N ATOM 184 CA GLY A 15 -6.242 -3.948 -0.525 1.00 0.00 C ATOM 185 C GLY A 15 -5.810 -4.538 -1.852 1.00 0.00 C ATOM 186 O GLY A 15 -6.509 -4.403 -2.857 1.00 0.00 O ATOM 0 H GLY A 15 -4.826 -2.430 -0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.926 -4.608 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.330 -3.900 -0.489 1.00 0.00 H new ATOM 190 N SER A 16 -4.655 -5.196 -1.857 1.00 0.00 N ATOM 191 CA SER A 16 -4.130 -5.811 -3.071 1.00 0.00 C ATOM 192 C SER A 16 -5.027 -6.954 -3.534 1.00 0.00 C ATOM 193 O SER A 16 -5.630 -7.652 -2.719 1.00 0.00 O ATOM 194 CB SER A 16 -2.709 -6.325 -2.834 1.00 0.00 C ATOM 195 OG SER A 16 -2.184 -6.931 -4.003 1.00 0.00 O ATOM 0 H SER A 16 -4.065 -5.317 -1.034 1.00 0.00 H new ATOM 0 HA SER A 16 -4.108 -5.052 -3.853 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.066 -5.499 -2.529 1.00 0.00 H new ATOM 0 HB3 SER A 16 -2.711 -7.046 -2.017 1.00 0.00 H new ATOM 0 HG SER A 16 -1.274 -7.250 -3.826 1.00 0.00 H new ATOM 201 N SER A 17 -5.110 -7.139 -4.848 1.00 0.00 N ATOM 202 CA SER A 17 -5.934 -8.198 -5.419 1.00 0.00 C ATOM 203 C SER A 17 -5.258 -9.557 -5.263 1.00 0.00 C ATOM 204 O SER A 17 -5.775 -10.444 -4.585 1.00 0.00 O ATOM 205 CB SER A 17 -6.207 -7.919 -6.898 1.00 0.00 C ATOM 206 OG SER A 17 -6.493 -6.548 -7.114 1.00 0.00 O ATOM 0 H SER A 17 -4.617 -6.570 -5.536 1.00 0.00 H new ATOM 0 HA SER A 17 -6.881 -8.218 -4.879 1.00 0.00 H new ATOM 0 HB2 SER A 17 -5.341 -8.211 -7.492 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.046 -8.527 -7.237 1.00 0.00 H new ATOM 0 HG SER A 17 -6.662 -6.395 -8.067 1.00 0.00 H new ATOM 212 N ARG A 18 -4.099 -9.712 -5.896 1.00 0.00 N ATOM 213 CA ARG A 18 -3.353 -10.963 -5.827 1.00 0.00 C ATOM 214 C ARG A 18 -1.935 -10.780 -6.358 1.00 0.00 C ATOM 215 O ARG A 18 -1.722 -10.683 -7.568 1.00 0.00 O ATOM 216 CB ARG A 18 -4.072 -12.055 -6.623 1.00 0.00 C ATOM 217 CG ARG A 18 -3.918 -13.444 -6.024 1.00 0.00 C ATOM 218 CD ARG A 18 -4.854 -14.441 -6.687 1.00 0.00 C ATOM 219 NE ARG A 18 -6.131 -14.544 -5.983 1.00 0.00 N ATOM 220 CZ ARG A 18 -7.111 -15.369 -6.344 1.00 0.00 C ATOM 221 NH1 ARG A 18 -6.967 -16.164 -7.397 1.00 0.00 N ATOM 222 NH2 ARG A 18 -8.240 -15.400 -5.647 1.00 0.00 N ATOM 0 H ARG A 18 -3.657 -8.988 -6.462 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.294 -11.265 -4.781 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -5.132 -11.810 -6.684 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.687 -12.063 -7.643 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.887 -13.779 -6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.124 -13.405 -4.954 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.032 -14.140 -7.719 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -4.377 -15.421 -6.718 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.280 -13.949 -5.168 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.101 -16.145 -7.935 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -7.722 -16.794 -7.668 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.356 -14.792 -4.836 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.992 -16.032 -5.922 1.00 0.00 H new ATOM 236 N SER A 19 -0.968 -10.735 -5.448 1.00 0.00 N ATOM 237 CA SER A 19 0.429 -10.563 -5.825 1.00 0.00 C ATOM 238 C SER A 19 0.636 -9.247 -6.569 1.00 0.00 C ATOM 239 O SER A 19 1.529 -8.474 -6.229 1.00 99.99 O ATOM 240 CB SER A 19 0.891 -11.733 -6.696 1.00 0.00 C ATOM 241 OG SER A 19 2.302 -11.860 -6.675 1.00 0.00 O ATOM 0 H SER A 19 -1.127 -10.815 -4.444 1.00 0.00 H new ATOM 0 HA SER A 19 1.025 -10.540 -4.913 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.435 -12.657 -6.341 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.552 -11.583 -7.721 1.00 0.00 H new ATOM 0 HG SER A 19 2.571 -12.616 -7.238 1.00 0.00 H new TER 247 SER A 19