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+ -151:sc= 0.0472 (180deg=-0.0564) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0359 USER MOD Single : A 3 THR OG1 : rot -29:sc= 0.554 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.0271 X(o=-0.027,f=-0.15) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.204 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.755 12.518 0.869 1.00 0.00 N ATOM 2 CA SER A 1 9.685 12.497 2.355 1.00 0.00 C ATOM 3 C SER A 1 8.238 12.477 2.838 1.00 0.00 C ATOM 4 O SER A 1 7.900 11.769 3.786 1.00 0.00 O ATOM 5 CB SER A 1 10.404 13.735 2.894 1.00 0.00 C ATOM 6 OG SER A 1 9.911 14.917 2.288 1.00 0.00 O ATOM 0 H1 SER A 1 10.632 12.055 0.556 1.00 0.00 H new ATOM 0 H2 SER A 1 8.937 12.011 0.476 1.00 0.00 H new ATOM 0 H3 SER A 1 9.745 13.503 0.535 1.00 0.00 H new ATOM 0 HA SER A 1 10.167 11.592 2.724 1.00 0.00 H new ATOM 0 HB2 SER A 1 10.272 13.794 3.974 1.00 0.00 H new ATOM 0 HB3 SER A 1 11.474 13.647 2.708 1.00 0.00 H new ATOM 0 HG SER A 1 10.386 15.693 2.651 1.00 0.00 H new ATOM 14 N GLY A 2 7.389 13.260 2.180 1.00 0.00 N ATOM 15 CA GLY A 2 5.989 13.317 2.558 1.00 0.00 C ATOM 16 C GLY A 2 5.097 12.560 1.594 1.00 0.00 C ATOM 17 O GLY A 2 4.010 13.023 1.248 1.00 0.00 O ATOM 0 H GLY A 2 7.645 13.855 1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.869 12.904 3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.670 14.358 2.602 1.00 0.00 H new ATOM 21 N THR A 3 5.558 11.392 1.158 1.00 0.00 N ATOM 22 CA THR A 3 4.794 10.568 0.228 1.00 0.00 C ATOM 23 C THR A 3 4.545 11.312 -1.080 1.00 0.00 C ATOM 24 O THR A 3 3.786 12.281 -1.120 1.00 0.00 O ATOM 25 CB THR A 3 3.461 10.156 0.854 1.00 0.00 C ATOM 26 OG1 THR A 3 3.672 9.482 2.082 1.00 0.00 O ATOM 27 CG2 THR A 3 2.638 9.247 -0.032 1.00 0.00 C ATOM 0 H THR A 3 6.456 10.995 1.434 1.00 0.00 H new ATOM 0 HA THR A 3 5.378 9.673 0.012 1.00 0.00 H new ATOM 0 HB THR A 3 2.912 11.086 1.002 1.00 0.00 H new ATOM 0 HG1 THR A 3 4.539 9.026 2.060 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.706 8.993 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.416 9.756 -0.970 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.198 8.335 -0.238 1.00 0.00 H new ATOM 32 N GLU A 4 5.189 10.854 -2.148 1.00 0.00 N ATOM 33 CA GLU A 4 5.038 11.477 -3.458 1.00 0.00 C ATOM 34 C GLU A 4 5.454 10.517 -4.568 1.00 0.00 C ATOM 35 O GLU A 4 5.953 10.938 -5.612 1.00 0.00 O ATOM 36 CB GLU A 4 5.871 12.757 -3.537 1.00 0.00 C ATOM 37 CG GLU A 4 5.214 13.861 -4.349 1.00 0.00 C ATOM 38 CD GLU A 4 5.230 13.577 -5.839 1.00 0.00 C ATOM 39 OE1 GLU A 4 4.396 12.768 -6.297 1.00 0.00 O ATOM 40 OE2 GLU A 4 6.075 14.164 -6.545 1.00 0.00 O ATOM 0 H GLU A 4 5.821 10.053 -2.132 1.00 0.00 H new ATOM 0 HA GLU A 4 3.986 11.728 -3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 4 6.058 13.122 -2.527 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.841 12.523 -3.976 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.183 13.986 -4.018 1.00 0.00 H new ATOM 0 HG3 GLU A 4 5.727 14.803 -4.157 1.00 0.00 H new ATOM 47 N ALA A 5 5.247 9.225 -4.336 1.00 0.00 N ATOM 48 CA ALA A 5 5.600 8.206 -5.316 1.00 0.00 C ATOM 49 C ALA A 5 4.438 7.928 -6.263 1.00 0.00 C ATOM 50 O ALA A 5 3.398 8.583 -6.193 1.00 0.00 O ATOM 51 CB ALA A 5 6.028 6.925 -4.613 1.00 0.00 C ATOM 0 H ALA A 5 4.836 8.859 -3.477 1.00 0.00 H new ATOM 0 HA ALA A 5 6.435 8.580 -5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.289 6.172 -5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.894 7.128 -3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.208 6.557 -3.996 1.00 0.00 H new ATOM 57 N GLU A 6 4.622 6.954 -7.148 1.00 0.00 N ATOM 58 CA GLU A 6 3.589 6.590 -8.110 1.00 0.00 C ATOM 59 C GLU A 6 2.334 6.093 -7.399 1.00 0.00 C ATOM 60 O GLU A 6 1.217 6.297 -7.874 1.00 0.00 O ATOM 61 CB GLU A 6 4.108 5.515 -9.067 1.00 0.00 C ATOM 62 CG GLU A 6 5.133 6.031 -10.063 1.00 0.00 C ATOM 63 CD GLU A 6 5.599 4.958 -11.027 1.00 0.00 C ATOM 64 OE1 GLU A 6 5.477 3.762 -10.689 1.00 0.00 O ATOM 65 OE2 GLU A 6 6.087 5.314 -12.121 1.00 0.00 O ATOM 0 H GLU A 6 5.477 6.403 -7.219 1.00 0.00 H new ATOM 0 HA GLU A 6 3.331 7.481 -8.683 1.00 0.00 H new ATOM 0 HB2 GLU A 6 4.553 4.707 -8.486 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.266 5.089 -9.613 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.702 6.859 -10.627 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.993 6.427 -9.522 1.00 0.00 H new ATOM 72 N THR A 7 2.527 5.439 -6.259 1.00 0.00 N ATOM 73 CA THR A 7 1.411 4.912 -5.482 1.00 0.00 C ATOM 74 C THR A 7 1.876 4.453 -4.104 1.00 0.00 C ATOM 75 O THR A 7 2.084 3.262 -3.872 1.00 0.00 O ATOM 76 CB THR A 7 0.751 3.748 -6.223 1.00 0.00 C ATOM 77 OG1 THR A 7 1.701 3.051 -7.010 1.00 0.00 O ATOM 78 CG2 THR A 7 -0.372 4.182 -7.139 1.00 0.00 C ATOM 0 H THR A 7 3.445 5.261 -5.852 1.00 0.00 H new ATOM 0 HA THR A 7 0.682 5.712 -5.352 1.00 0.00 H new ATOM 0 HB THR A 7 0.337 3.108 -5.444 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.260 2.309 -7.475 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.796 3.308 -7.633 1.00 0.00 H new ATOM 0 HG22 THR A 7 -1.146 4.680 -6.555 1.00 0.00 H new ATOM 0 HG23 THR A 7 0.016 4.871 -7.889 1.00 0.00 H new ATOM 83 N GLU A 8 2.038 5.406 -3.192 1.00 0.00 N ATOM 84 CA GLU A 8 2.479 5.100 -1.836 1.00 0.00 C ATOM 85 C GLU A 8 1.340 4.504 -1.015 1.00 0.00 C ATOM 86 O GLU A 8 0.269 4.207 -1.545 1.00 0.00 O ATOM 87 CB GLU A 8 3.010 6.362 -1.153 1.00 0.00 C ATOM 88 CG GLU A 8 4.215 6.110 -0.262 1.00 0.00 C ATOM 89 CD GLU A 8 4.144 6.874 1.045 1.00 0.00 C ATOM 90 OE1 GLU A 8 3.112 6.766 1.742 1.00 0.00 O ATOM 91 OE2 GLU A 8 5.120 7.582 1.374 1.00 0.00 O ATOM 0 H GLU A 8 1.870 6.397 -3.367 1.00 0.00 H new ATOM 0 HA GLU A 8 3.281 4.364 -1.899 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.279 7.092 -1.916 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.213 6.805 -0.556 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.289 5.043 -0.051 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.122 6.394 -0.795 1.00 0.00 H new ATOM 98 N ASN A 9 1.578 4.332 0.280 1.00 0.00 N ATOM 99 CA ASN A 9 0.572 3.772 1.175 1.00 0.00 C ATOM 100 C ASN A 9 -0.250 4.877 1.829 1.00 0.00 C ATOM 101 O ASN A 9 0.078 5.347 2.919 1.00 0.00 O ATOM 102 CB ASN A 9 1.238 2.911 2.250 1.00 0.00 C ATOM 103 CG ASN A 9 1.956 1.710 1.667 1.00 0.00 C ATOM 104 OD1 ASN A 9 1.464 0.584 1.736 1.00 0.00 O ATOM 105 ND2 ASN A 9 3.128 1.946 1.089 1.00 0.00 N ATOM 0 H ASN A 9 2.459 4.572 0.734 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.098 3.148 0.583 1.00 0.00 H new ATOM 0 HB2 ASN A 9 1.949 3.519 2.810 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.483 2.571 2.958 1.00 0.00 H new ATOM 0 HD21 ASN A 9 3.659 1.177 0.679 1.00 0.00 H new ATOM 0 HD22 ASN A 9 3.498 2.896 1.055 1.00 0.00 H new ATOM 110 N PHE A 10 -1.319 5.289 1.156 1.00 0.00 N ATOM 111 CA PHE A 10 -2.188 6.341 1.672 1.00 0.00 C ATOM 112 C PHE A 10 -3.652 5.912 1.632 1.00 0.00 C ATOM 113 O PHE A 10 -4.361 6.001 2.634 1.00 0.00 O ATOM 114 CB PHE A 10 -2.000 7.628 0.866 1.00 0.00 C ATOM 115 CG PHE A 10 -2.045 7.417 -0.621 1.00 0.00 C ATOM 116 CD1 PHE A 10 -0.981 6.827 -1.283 1.00 0.00 C ATOM 117 CD2 PHE A 10 -3.153 7.809 -1.356 1.00 0.00 C ATOM 118 CE1 PHE A 10 -1.019 6.632 -2.651 1.00 0.00 C ATOM 119 CE2 PHE A 10 -3.197 7.616 -2.724 1.00 0.00 C ATOM 120 CZ PHE A 10 -2.129 7.027 -3.371 1.00 0.00 C ATOM 0 H PHE A 10 -1.605 4.911 0.253 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.912 6.526 2.710 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -2.776 8.340 1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.043 8.077 1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.111 6.516 -0.724 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.991 8.270 -0.854 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.182 6.172 -3.156 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.066 7.926 -3.286 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.162 6.875 -4.440 1.00 0.00 H new ATOM 130 N VAL A 11 -4.097 5.448 0.469 1.00 0.00 N ATOM 131 CA VAL A 11 -5.478 5.009 0.301 1.00 0.00 C ATOM 132 C VAL A 11 -5.600 3.971 -0.809 1.00 0.00 C ATOM 133 O VAL A 11 -6.273 2.953 -0.649 1.00 0.00 O ATOM 134 CB VAL A 11 -6.410 6.196 -0.011 1.00 0.00 C ATOM 135 CG1 VAL A 11 -7.855 5.731 -0.134 1.00 0.00 C ATOM 136 CG2 VAL A 11 -6.279 7.268 1.059 1.00 0.00 C ATOM 0 H VAL A 11 -3.523 5.366 -0.370 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.781 4.557 1.245 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.111 6.625 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -8.495 6.586 -0.354 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.935 5.001 -0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.171 5.273 0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -6.944 8.100 0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.550 6.850 2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -5.250 7.625 1.093 1.00 0.00 H new ATOM 140 N HIS A 12 -4.949 4.236 -1.937 1.00 0.00 N ATOM 141 CA HIS A 12 -4.986 3.325 -3.078 1.00 0.00 C ATOM 142 C HIS A 12 -4.729 1.883 -2.641 1.00 0.00 C ATOM 143 O HIS A 12 -5.563 1.003 -2.860 1.00 0.00 O ATOM 144 CB HIS A 12 -3.956 3.748 -4.129 1.00 0.00 C ATOM 145 CG HIS A 12 -4.543 4.545 -5.251 1.00 0.00 C ATOM 146 ND1 HIS A 12 -5.581 5.438 -5.078 1.00 0.00 N ATOM 147 CD2 HIS A 12 -4.232 4.584 -6.569 1.00 0.00 C ATOM 148 CE1 HIS A 12 -5.883 5.988 -6.241 1.00 0.00 C ATOM 149 NE2 HIS A 12 -5.080 5.488 -7.160 1.00 0.00 N ATOM 0 H HIS A 12 -4.389 5.075 -2.087 1.00 0.00 H new ATOM 0 HA HIS A 12 -5.983 3.375 -3.516 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -3.175 4.336 -3.646 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.478 2.857 -4.537 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -3.461 4.011 -7.063 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -6.656 6.723 -6.410 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -5.088 5.733 -8.150 1.00 0.00 H new ATOM 158 N PRO A 13 -3.570 1.620 -2.012 1.00 0.00 N ATOM 159 CA PRO A 13 -3.212 0.282 -1.542 1.00 0.00 C ATOM 160 C PRO A 13 -3.873 -0.062 -0.210 1.00 0.00 C ATOM 161 O PRO A 13 -3.199 -0.436 0.750 1.00 0.00 O ATOM 162 CB PRO A 13 -1.699 0.376 -1.379 1.00 0.00 C ATOM 163 CG PRO A 13 -1.457 1.798 -1.002 1.00 0.00 C ATOM 164 CD PRO A 13 -2.516 2.609 -1.707 1.00 0.00 C ATOM 0 HA PRO A 13 -3.539 -0.500 -2.227 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -1.339 -0.306 -0.609 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.182 0.116 -2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.521 1.930 0.078 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.459 2.116 -1.304 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.892 3.413 -1.074 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -2.128 3.073 -2.614 1.00 0.00 H new ATOM 172 N THR A 14 -5.195 0.069 -0.156 1.00 0.00 N ATOM 173 CA THR A 14 -5.943 -0.226 1.061 1.00 0.00 C ATOM 174 C THR A 14 -6.686 -1.552 0.935 1.00 0.00 C ATOM 175 O THR A 14 -6.485 -2.299 -0.023 1.00 0.00 O ATOM 176 CB THR A 14 -6.933 0.901 1.362 1.00 0.00 C ATOM 177 OG1 THR A 14 -7.580 0.681 2.602 1.00 0.00 O ATOM 178 CG2 THR A 14 -8.006 1.055 0.305 1.00 0.00 C ATOM 0 H THR A 14 -5.770 0.377 -0.940 1.00 0.00 H new ATOM 0 HA THR A 14 -5.233 -0.305 1.884 1.00 0.00 H new ATOM 0 HB THR A 14 -6.335 1.812 1.384 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.208 1.413 2.778 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.674 1.871 0.581 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.541 1.275 -0.656 1.00 0.00 H new ATOM 0 HG23 THR A 14 -8.577 0.129 0.228 1.00 0.00 H new ATOM 183 N GLY A 15 -7.544 -1.838 1.908 1.00 0.00 N ATOM 184 CA GLY A 15 -8.304 -3.075 1.887 1.00 0.00 C ATOM 185 C GLY A 15 -9.471 -3.055 2.855 1.00 0.00 C ATOM 186 O GLY A 15 -10.201 -2.067 2.936 1.00 0.00 O ATOM 0 H GLY A 15 -7.727 -1.236 2.711 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -8.676 -3.252 0.878 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.645 -3.907 2.134 1.00 0.00 H new ATOM 190 N SER A 16 -9.646 -4.149 3.590 1.00 0.00 N ATOM 191 CA SER A 16 -10.732 -4.254 4.557 1.00 0.00 C ATOM 192 C SER A 16 -10.205 -4.137 5.983 1.00 0.00 C ATOM 193 O SER A 16 -10.887 -3.622 6.868 1.00 0.00 O ATOM 194 CB SER A 16 -11.472 -5.581 4.381 1.00 0.00 C ATOM 195 OG SER A 16 -10.622 -6.680 4.656 1.00 0.00 O ATOM 0 H SER A 16 -9.050 -4.975 3.534 1.00 0.00 H new ATOM 0 HA SER A 16 -11.425 -3.432 4.378 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.336 -5.610 5.046 1.00 0.00 H new ATOM 0 HB3 SER A 16 -11.851 -5.657 3.362 1.00 0.00 H new ATOM 0 HG SER A 16 -11.120 -7.516 4.538 1.00 0.00 H new ATOM 201 N SER A 17 -8.985 -4.618 6.198 1.00 0.00 N ATOM 202 CA SER A 17 -8.365 -4.568 7.518 1.00 0.00 C ATOM 203 C SER A 17 -6.937 -5.104 7.469 1.00 0.00 C ATOM 204 O SER A 17 -6.388 -5.337 6.393 1.00 0.00 O ATOM 205 CB SER A 17 -9.190 -5.372 8.523 1.00 0.00 C ATOM 206 OG SER A 17 -8.876 -5.002 9.854 1.00 0.00 O ATOM 0 H SER A 17 -8.406 -5.047 5.476 1.00 0.00 H new ATOM 0 HA SER A 17 -8.332 -3.526 7.837 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.252 -5.210 8.338 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.001 -6.436 8.384 1.00 0.00 H new ATOM 0 HG SER A 17 -9.418 -5.530 10.477 1.00 0.00 H new ATOM 212 N ARG A 18 -6.344 -5.298 8.642 1.00 0.00 N ATOM 213 CA ARG A 18 -4.981 -5.807 8.734 1.00 0.00 C ATOM 214 C ARG A 18 -4.893 -6.948 9.742 1.00 0.00 C ATOM 215 O ARG A 18 -4.823 -6.719 10.950 1.00 0.00 O ATOM 216 CB ARG A 18 -4.020 -4.685 9.131 1.00 0.00 C ATOM 217 CG ARG A 18 -3.631 -3.779 7.975 1.00 0.00 C ATOM 218 CD ARG A 18 -2.198 -3.290 8.107 1.00 0.00 C ATOM 219 NE ARG A 18 -1.911 -2.794 9.451 1.00 0.00 N ATOM 220 CZ ARG A 18 -2.345 -1.624 9.918 1.00 0.00 C ATOM 221 NH1 ARG A 18 -3.083 -0.830 9.154 1.00 0.00 N ATOM 222 NH2 ARG A 18 -2.038 -1.250 11.152 1.00 0.00 N ATOM 0 H ARG A 18 -6.786 -5.110 9.542 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.696 -6.189 7.754 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.481 -4.083 9.914 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.118 -5.124 9.557 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.747 -4.318 7.034 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.306 -2.924 7.938 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.514 -4.104 7.867 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -2.017 -2.497 7.381 1.00 0.00 H new ATOM 0 HE ARG A 18 -1.345 -3.377 10.068 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -3.321 -1.114 8.204 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.413 0.065 9.517 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.470 -1.858 11.743 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.369 -0.355 11.511 1.00 0.00 H new ATOM 236 N SER A 19 -4.895 -8.178 9.237 1.00 0.00 N ATOM 237 CA SER A 19 -4.816 -9.356 10.094 1.00 0.00 C ATOM 238 C SER A 19 -4.034 -10.474 9.412 1.00 0.00 C ATOM 239 O SER A 19 -3.121 -11.045 10.003 1.00 99.99 O ATOM 240 CB SER A 19 -6.219 -9.846 10.455 1.00 0.00 C ATOM 241 OG SER A 19 -6.195 -10.651 11.621 1.00 0.00 O ATOM 0 H SER A 19 -4.950 -8.385 8.240 1.00 0.00 H new ATOM 0 HA SER A 19 -4.291 -9.075 11.007 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.876 -8.991 10.613 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.633 -10.417 9.624 1.00 0.00 H new ATOM 0 HG SER A 19 -7.104 -10.950 11.831 1.00 0.00 H new TER 247 SER A 19