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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot -7:sc= 2.01 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0.073) USER MOD Single : A 12 HIS :FLIP no HD1:sc= -0.979 F(o=-1.5,f=-0.98) USER MOD Single : A 14 THR OG1 : rot -100:sc= -0.0802 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 39:sc= 0.189 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -8.673 -1.180 5.962 1.00 0.00 N ATOM 2 CA SER A 1 -7.985 -2.005 4.935 1.00 0.00 C ATOM 3 C SER A 1 -6.564 -1.508 4.689 1.00 0.00 C ATOM 4 O SER A 1 -6.355 -0.515 3.991 1.00 0.00 O ATOM 5 CB SER A 1 -8.796 -1.948 3.640 1.00 0.00 C ATOM 6 OG SER A 1 -9.702 -3.034 3.556 1.00 0.00 O ATOM 0 H1 SER A 1 -9.637 -1.541 6.109 1.00 0.00 H new ATOM 0 H2 SER A 1 -8.145 -1.229 6.857 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.719 -0.192 5.640 1.00 0.00 H new ATOM 0 HA SER A 1 -7.916 -3.033 5.290 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.345 -1.008 3.593 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.121 -1.966 2.784 1.00 0.00 H new ATOM 0 HG SER A 1 -10.209 -2.973 2.720 1.00 0.00 H new ATOM 14 N GLY A 2 -5.590 -2.203 5.267 1.00 0.00 N ATOM 15 CA GLY A 2 -4.202 -1.817 5.098 1.00 0.00 C ATOM 16 C GLY A 2 -3.361 -2.128 6.321 1.00 0.00 C ATOM 17 O GLY A 2 -2.798 -3.216 6.434 1.00 0.00 O ATOM 0 H GLY A 2 -5.738 -3.027 5.850 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -3.787 -2.335 4.234 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.148 -0.749 4.886 1.00 0.00 H new ATOM 21 N THR A 3 -3.275 -1.167 7.237 1.00 0.00 N ATOM 22 CA THR A 3 -2.496 -1.339 8.460 1.00 0.00 C ATOM 23 C THR A 3 -1.044 -1.680 8.140 1.00 0.00 C ATOM 24 O THR A 3 -0.730 -2.804 7.748 1.00 0.00 O ATOM 25 CB THR A 3 -3.109 -2.435 9.336 1.00 0.00 C ATOM 26 OG1 THR A 3 -2.748 -3.721 8.862 1.00 0.00 O ATOM 27 CG2 THR A 3 -4.621 -2.377 9.402 1.00 0.00 C ATOM 0 H THR A 3 -3.735 -0.261 7.155 1.00 0.00 H new ATOM 0 HA THR A 3 -2.517 -0.396 9.006 1.00 0.00 H new ATOM 0 HB THR A 3 -2.712 -2.258 10.335 1.00 0.00 H new ATOM 0 HG1 THR A 3 -2.278 -3.634 8.006 1.00 0.00 H new ATOM 0 HG21 THR A 3 -4.989 -3.182 10.039 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.931 -1.417 9.815 1.00 0.00 H new ATOM 0 HG23 THR A 3 -5.034 -2.491 8.400 1.00 0.00 H new ATOM 32 N GLU A 4 -0.161 -0.702 8.309 1.00 0.00 N ATOM 33 CA GLU A 4 1.258 -0.897 8.039 1.00 0.00 C ATOM 34 C GLU A 4 2.096 0.175 8.727 1.00 0.00 C ATOM 35 O GLU A 4 1.917 1.369 8.485 1.00 0.00 O ATOM 36 CB GLU A 4 1.520 -0.875 6.531 1.00 0.00 C ATOM 37 CG GLU A 4 1.397 -2.239 5.873 1.00 0.00 C ATOM 38 CD GLU A 4 0.086 -2.413 5.132 1.00 0.00 C ATOM 39 OE1 GLU A 4 -0.281 -1.508 4.353 1.00 0.00 O ATOM 40 OE2 GLU A 4 -0.575 -3.454 5.331 1.00 0.00 O ATOM 0 H GLU A 4 -0.404 0.235 8.632 1.00 0.00 H new ATOM 0 HA GLU A 4 1.547 -1.870 8.437 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.818 -0.188 6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 4 2.521 -0.482 6.350 1.00 0.00 H new ATOM 0 HG2 GLU A 4 2.224 -2.379 5.177 1.00 0.00 H new ATOM 0 HG3 GLU A 4 1.486 -3.015 6.634 1.00 0.00 H new ATOM 47 N ALA A 5 3.012 -0.258 9.588 1.00 0.00 N ATOM 48 CA ALA A 5 3.878 0.664 10.312 1.00 0.00 C ATOM 49 C ALA A 5 4.715 1.501 9.350 1.00 0.00 C ATOM 50 O ALA A 5 5.050 2.649 9.640 1.00 0.00 O ATOM 51 CB ALA A 5 4.778 -0.100 11.271 1.00 0.00 C ATOM 0 H ALA A 5 3.173 -1.242 9.801 1.00 0.00 H new ATOM 0 HA ALA A 5 3.246 1.342 10.886 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.419 0.601 11.805 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.165 -0.648 11.986 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.395 -0.801 10.710 1.00 0.00 H new ATOM 57 N GLU A 6 5.050 0.917 8.204 1.00 0.00 N ATOM 58 CA GLU A 6 5.848 1.609 7.199 1.00 0.00 C ATOM 59 C GLU A 6 4.986 2.570 6.387 1.00 0.00 C ATOM 60 O GLU A 6 5.460 3.613 5.934 1.00 0.00 O ATOM 61 CB GLU A 6 6.522 0.599 6.268 1.00 0.00 C ATOM 62 CG GLU A 6 7.910 1.020 5.816 1.00 0.00 C ATOM 63 CD GLU A 6 7.914 1.614 4.422 1.00 0.00 C ATOM 64 OE1 GLU A 6 8.018 0.840 3.447 1.00 0.00 O ATOM 65 OE2 GLU A 6 7.812 2.853 4.304 1.00 0.00 O ATOM 0 H GLU A 6 4.781 -0.033 7.949 1.00 0.00 H new ATOM 0 HA GLU A 6 6.616 2.186 7.715 1.00 0.00 H new ATOM 0 HB2 GLU A 6 6.591 -0.362 6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 6 5.893 0.450 5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 6 8.311 1.750 6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 6 8.574 0.156 5.841 1.00 0.00 H new ATOM 72 N THR A 7 3.719 2.212 6.207 1.00 0.00 N ATOM 73 CA THR A 7 2.791 3.044 5.449 1.00 0.00 C ATOM 74 C THR A 7 1.346 2.724 5.820 1.00 0.00 C ATOM 75 O THR A 7 0.684 1.933 5.150 1.00 0.00 O ATOM 76 CB THR A 7 3.001 2.840 3.947 1.00 0.00 C ATOM 77 OG1 THR A 7 3.438 1.521 3.676 1.00 0.00 O ATOM 78 CG2 THR A 7 4.015 3.793 3.351 1.00 0.00 C ATOM 0 H THR A 7 3.311 1.352 6.575 1.00 0.00 H new ATOM 0 HA THR A 7 2.989 4.086 5.699 1.00 0.00 H new ATOM 0 HB THR A 7 2.031 3.035 3.490 1.00 0.00 H new ATOM 0 HG1 THR A 7 3.565 1.410 2.711 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.117 3.595 2.284 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.681 4.820 3.500 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.979 3.651 3.840 1.00 0.00 H new ATOM 83 N GLU A 8 0.866 3.343 6.893 1.00 0.00 N ATOM 84 CA GLU A 8 -0.500 3.125 7.354 1.00 0.00 C ATOM 85 C GLU A 8 -1.485 3.980 6.562 1.00 0.00 C ATOM 86 O GLU A 8 -1.443 5.209 6.621 1.00 0.00 O ATOM 87 CB GLU A 8 -0.615 3.444 8.846 1.00 0.00 C ATOM 88 CG GLU A 8 -0.343 4.902 9.178 1.00 0.00 C ATOM 89 CD GLU A 8 -1.615 5.697 9.402 1.00 0.00 C ATOM 90 OE1 GLU A 8 -2.617 5.099 9.848 1.00 0.00 O ATOM 91 OE2 GLU A 8 -1.610 6.915 9.129 1.00 0.00 O ATOM 0 H GLU A 8 1.403 4.000 7.460 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.747 2.075 7.194 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.616 3.182 9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.085 2.817 9.398 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.278 4.957 10.072 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.226 5.355 8.366 1.00 0.00 H new ATOM 98 N ASN A 9 -2.370 3.320 5.821 1.00 0.00 N ATOM 99 CA ASN A 9 -3.366 4.021 5.018 1.00 0.00 C ATOM 100 C ASN A 9 -2.696 4.918 3.981 1.00 0.00 C ATOM 101 O ASN A 9 -2.571 6.125 4.181 1.00 0.00 O ATOM 102 CB ASN A 9 -4.283 4.853 5.915 1.00 0.00 C ATOM 103 CG ASN A 9 -5.079 3.999 6.881 1.00 0.00 C ATOM 104 OD1 ASN A 9 -4.600 3.652 7.961 1.00 0.00 O ATOM 105 ND2 ASN A 9 -6.302 3.655 6.496 1.00 0.00 N ATOM 0 H ASN A 9 -2.418 2.303 5.760 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.964 3.275 4.494 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -3.684 5.569 6.477 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -4.969 5.429 5.294 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -6.885 3.080 7.104 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.658 3.965 5.592 1.00 0.00 H new ATOM 110 N PHE A 10 -2.268 4.318 2.876 1.00 0.00 N ATOM 111 CA PHE A 10 -1.611 5.063 1.808 1.00 0.00 C ATOM 112 C PHE A 10 -2.626 5.898 1.026 1.00 0.00 C ATOM 113 O PHE A 10 -2.820 7.079 1.311 1.00 0.00 O ATOM 114 CB PHE A 10 -0.868 4.100 0.873 1.00 0.00 C ATOM 115 CG PHE A 10 -0.421 4.727 -0.420 1.00 0.00 C ATOM 116 CD1 PHE A 10 0.546 5.719 -0.427 1.00 0.00 C ATOM 117 CD2 PHE A 10 -0.970 4.323 -1.626 1.00 0.00 C ATOM 118 CE1 PHE A 10 0.957 6.296 -1.614 1.00 0.00 C ATOM 119 CE2 PHE A 10 -0.564 4.896 -2.816 1.00 0.00 C ATOM 120 CZ PHE A 10 0.401 5.884 -2.810 1.00 0.00 C ATOM 0 H PHE A 10 -2.364 3.319 2.696 1.00 0.00 H new ATOM 0 HA PHE A 10 -0.887 5.744 2.255 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.004 3.704 1.394 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.517 3.253 0.649 1.00 0.00 H new ATOM 0 HD1 PHE A 10 0.983 6.045 0.505 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.725 3.551 -1.636 1.00 0.00 H new ATOM 0 HE1 PHE A 10 1.712 7.068 -1.607 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.001 4.572 -3.749 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.720 6.334 -3.738 1.00 0.00 H new ATOM 130 N VAL A 11 -3.269 5.279 0.039 1.00 0.00 N ATOM 131 CA VAL A 11 -4.259 5.970 -0.780 1.00 0.00 C ATOM 132 C VAL A 11 -5.266 4.989 -1.366 1.00 0.00 C ATOM 133 O VAL A 11 -6.475 5.157 -1.216 1.00 0.00 O ATOM 134 CB VAL A 11 -3.597 6.751 -1.933 1.00 0.00 C ATOM 135 CG1 VAL A 11 -4.604 7.675 -2.600 1.00 0.00 C ATOM 136 CG2 VAL A 11 -2.393 7.536 -1.432 1.00 0.00 C ATOM 0 H VAL A 11 -3.122 4.301 -0.212 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.773 6.673 -0.124 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.247 6.034 -2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.118 8.218 -3.411 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.429 7.086 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.988 8.385 -1.867 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.942 8.079 -2.262 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.713 8.243 -0.667 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.661 6.848 -1.008 1.00 0.00 H new ATOM 140 N HIS A 12 -4.754 3.965 -2.036 1.00 0.00 N ATOM 141 CA HIS A 12 -5.599 2.947 -2.651 1.00 0.00 C ATOM 142 C HIS A 12 -4.756 1.909 -3.391 1.00 0.00 C ATOM 143 O HIS A 12 -4.907 0.708 -3.172 1.00 0.00 O ATOM 144 CB HIS A 12 -6.600 3.594 -3.614 1.00 0.00 C ATOM 145 CG HIS A 12 -7.994 3.661 -3.071 1.00 0.00 C ATOM 146 ND1 HIS A 12 -8.772 4.724 -2.754 1.00 0.00 N flip ATOM 147 CD2 HIS A 12 -8.748 2.540 -2.793 1.00 0.00 C flip ATOM 148 CE1 HIS A 12 -9.968 4.229 -2.295 1.00 0.00 C flip ATOM 149 NE2 HIS A 12 -9.929 2.910 -2.329 1.00 0.00 N flip ATOM 0 H HIS A 12 -3.754 3.816 -2.168 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.148 2.441 -1.857 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -6.263 4.603 -3.852 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -6.609 3.032 -4.548 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -8.424 1.519 -2.933 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.805 4.823 -1.960 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -10.682 2.283 -2.045 1.00 0.00 H new ATOM 158 N PRO A 13 -3.853 2.359 -4.283 1.00 0.00 N ATOM 159 CA PRO A 13 -2.989 1.456 -5.053 1.00 0.00 C ATOM 160 C PRO A 13 -2.130 0.569 -4.156 1.00 0.00 C ATOM 161 O PRO A 13 -1.631 -0.470 -4.589 1.00 0.00 O ATOM 162 CB PRO A 13 -2.104 2.404 -5.870 1.00 0.00 C ATOM 163 CG PRO A 13 -2.857 3.689 -5.914 1.00 0.00 C ATOM 164 CD PRO A 13 -3.600 3.773 -4.612 1.00 0.00 C ATOM 0 HA PRO A 13 -3.571 0.767 -5.665 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.128 2.534 -5.403 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.928 2.015 -6.873 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -2.180 4.535 -6.033 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -3.545 3.710 -6.759 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.009 4.267 -3.841 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.528 4.336 -4.712 1.00 0.00 H new ATOM 172 N THR A 14 -1.960 0.984 -2.904 1.00 0.00 N ATOM 173 CA THR A 14 -1.161 0.228 -1.946 1.00 0.00 C ATOM 174 C THR A 14 -1.650 -1.214 -1.841 1.00 0.00 C ATOM 175 O THR A 14 -2.609 -1.604 -2.506 1.00 0.00 O ATOM 176 CB THR A 14 -1.213 0.896 -0.571 1.00 0.00 C ATOM 177 OG1 THR A 14 -0.367 0.225 0.346 1.00 0.00 O ATOM 178 CG2 THR A 14 -2.604 0.927 0.025 1.00 0.00 C ATOM 0 H THR A 14 -2.366 1.841 -2.529 1.00 0.00 H new ATOM 0 HA THR A 14 -0.131 0.216 -2.301 1.00 0.00 H new ATOM 0 HB THR A 14 -0.881 1.921 -0.735 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.903 -0.369 0.912 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.571 1.414 1.000 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.271 1.482 -0.635 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.973 -0.092 0.140 1.00 0.00 H new ATOM 183 N GLY A 15 -0.983 -2.000 -1.003 1.00 0.00 N ATOM 184 CA GLY A 15 -1.364 -3.389 -0.826 1.00 0.00 C ATOM 185 C GLY A 15 -0.335 -4.178 -0.043 1.00 0.00 C ATOM 186 O GLY A 15 0.835 -3.799 0.017 1.00 0.00 O ATOM 0 H GLY A 15 -0.185 -1.700 -0.443 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.323 -3.436 -0.310 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.505 -3.851 -1.803 1.00 0.00 H new ATOM 190 N SER A 16 -0.769 -5.280 0.560 1.00 0.00 N ATOM 191 CA SER A 16 0.123 -6.125 1.345 1.00 0.00 C ATOM 192 C SER A 16 -0.559 -7.437 1.718 1.00 0.00 C ATOM 193 O SER A 16 -1.637 -7.441 2.312 1.00 0.00 O ATOM 194 CB SER A 16 0.572 -5.392 2.610 1.00 0.00 C ATOM 195 OG SER A 16 1.916 -5.707 2.933 1.00 0.00 O ATOM 0 H SER A 16 -1.734 -5.609 0.520 1.00 0.00 H new ATOM 0 HA SER A 16 0.998 -6.352 0.736 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.472 -4.316 2.465 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.078 -5.664 3.442 1.00 0.00 H new ATOM 0 HG SER A 16 2.179 -5.224 3.744 1.00 0.00 H new ATOM 201 N SER A 17 0.077 -8.550 1.365 1.00 0.00 N ATOM 202 CA SER A 17 -0.469 -9.869 1.664 1.00 0.00 C ATOM 203 C SER A 17 0.087 -10.403 2.980 1.00 0.00 C ATOM 204 O SER A 17 1.272 -10.717 3.084 1.00 0.00 O ATOM 205 CB SER A 17 -0.148 -10.845 0.530 1.00 0.00 C ATOM 206 OG SER A 17 1.219 -10.774 0.167 1.00 0.00 O ATOM 0 H SER A 17 0.970 -8.565 0.872 1.00 0.00 H new ATOM 0 HA SER A 17 -1.551 -9.774 1.759 1.00 0.00 H new ATOM 0 HB2 SER A 17 -0.393 -11.861 0.840 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.770 -10.618 -0.336 1.00 0.00 H new ATOM 0 HG SER A 17 1.766 -10.662 0.972 1.00 0.00 H new ATOM 212 N ARG A 18 -0.778 -10.501 3.985 1.00 0.00 N ATOM 213 CA ARG A 18 -0.375 -10.996 5.295 1.00 0.00 C ATOM 214 C ARG A 18 0.709 -10.110 5.902 1.00 0.00 C ATOM 215 O ARG A 18 1.900 -10.346 5.703 1.00 0.00 O ATOM 216 CB ARG A 18 0.130 -12.436 5.186 1.00 0.00 C ATOM 217 CG ARG A 18 -0.940 -13.424 4.751 1.00 0.00 C ATOM 218 CD ARG A 18 -1.580 -14.114 5.945 1.00 0.00 C ATOM 219 NE ARG A 18 -2.055 -15.455 5.613 1.00 0.00 N ATOM 220 CZ ARG A 18 -2.803 -16.199 6.424 1.00 0.00 C ATOM 221 NH1 ARG A 18 -3.164 -15.736 7.615 1.00 0.00 N ATOM 222 NH2 ARG A 18 -3.193 -17.408 6.044 1.00 0.00 N ATOM 0 H ARG A 18 -1.763 -10.244 3.916 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.247 -10.972 5.948 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.955 -12.470 4.475 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.529 -12.747 6.152 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.706 -12.903 4.177 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.500 -14.171 4.091 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -0.857 -14.177 6.758 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.414 -13.513 6.306 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.798 -15.844 4.706 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.868 -14.806 7.912 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.737 -16.310 8.233 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.920 -17.768 5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.766 -17.978 6.666 1.00 0.00 H new ATOM 236 N SER A 19 0.286 -9.090 6.641 1.00 0.00 N ATOM 237 CA SER A 19 1.221 -8.168 7.278 1.00 0.00 C ATOM 238 C SER A 19 0.648 -7.629 8.584 1.00 0.00 C ATOM 239 O SER A 19 1.316 -7.660 9.615 1.00 99.99 O ATOM 240 CB SER A 19 1.548 -7.009 6.334 1.00 0.00 C ATOM 241 OG SER A 19 2.827 -6.468 6.615 1.00 0.00 O ATOM 0 H SER A 19 -0.697 -8.880 6.814 1.00 0.00 H new ATOM 0 HA SER A 19 2.137 -8.715 7.503 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.516 -7.357 5.301 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.791 -6.231 6.432 1.00 0.00 H new ATOM 0 HG SER A 19 3.013 -5.730 5.997 1.00 0.00 H new TER 247 SER A 19