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 9 ASN : amide:sc= 0.251 K(o=-0.026,f=-3.7!) USER MOD Set 1.2: A 14 THR OG1 : rot 148:sc= -0.277 USER MOD Single : A 1 SER N :NH3+ 172:sc= 0 (180deg=-0.0789) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0358 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 4.500 16.480 -1.570 1.00 0.00 N ATOM 2 CA SER A 1 3.788 16.361 -0.270 1.00 0.00 C ATOM 3 C SER A 1 3.494 14.903 0.065 1.00 0.00 C ATOM 4 O SER A 1 2.429 14.578 0.590 1.00 0.00 O ATOM 5 CB SER A 1 2.484 17.156 -0.355 1.00 0.00 C ATOM 6 OG SER A 1 2.684 18.506 0.027 1.00 0.00 O ATOM 0 H1 SER A 1 4.567 17.482 -1.838 1.00 0.00 H new ATOM 0 H2 SER A 1 5.456 16.081 -1.480 1.00 0.00 H new ATOM 0 H3 SER A 1 3.975 15.960 -2.302 1.00 0.00 H new ATOM 0 HA SER A 1 4.421 16.759 0.523 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.096 17.116 -1.373 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.733 16.700 0.290 1.00 0.00 H new ATOM 0 HG SER A 1 1.836 18.993 -0.038 1.00 0.00 H new ATOM 14 N GLY A 2 4.445 14.027 -0.242 1.00 0.00 N ATOM 15 CA GLY A 2 4.269 12.613 0.034 1.00 0.00 C ATOM 16 C GLY A 2 4.203 12.317 1.520 1.00 0.00 C ATOM 17 O GLY A 2 4.361 13.214 2.347 1.00 0.00 O ATOM 0 H GLY A 2 5.335 14.271 -0.677 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.354 12.264 -0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.093 12.054 -0.409 1.00 0.00 H new ATOM 21 N THR A 3 3.968 11.053 1.859 1.00 0.00 N ATOM 22 CA THR A 3 3.881 10.639 3.256 1.00 0.00 C ATOM 23 C THR A 3 5.134 9.878 3.676 1.00 0.00 C ATOM 24 O THR A 3 5.961 10.390 4.428 1.00 0.00 O ATOM 25 CB THR A 3 2.639 9.772 3.475 1.00 0.00 C ATOM 26 OG1 THR A 3 1.464 10.479 3.120 1.00 0.00 O ATOM 27 CG2 THR A 3 2.479 9.305 4.907 1.00 0.00 C ATOM 0 H THR A 3 3.834 10.298 1.186 1.00 0.00 H new ATOM 0 HA THR A 3 3.801 11.534 3.873 1.00 0.00 H new ATOM 0 HB THR A 3 2.782 8.899 2.839 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.682 9.907 3.266 1.00 0.00 H new ATOM 0 HG21 THR A 3 1.579 8.696 4.993 1.00 0.00 H new ATOM 0 HG22 THR A 3 3.347 8.713 5.196 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.395 10.170 5.565 1.00 0.00 H new ATOM 32 N GLU A 4 5.266 8.649 3.185 1.00 0.00 N ATOM 33 CA GLU A 4 6.418 7.815 3.508 1.00 0.00 C ATOM 34 C GLU A 4 6.319 6.461 2.814 1.00 0.00 C ATOM 35 O GLU A 4 5.288 5.791 2.881 1.00 0.00 O ATOM 36 CB GLU A 4 6.524 7.616 5.022 1.00 0.00 C ATOM 37 CG GLU A 4 7.955 7.575 5.532 1.00 0.00 C ATOM 38 CD GLU A 4 8.440 8.927 6.017 1.00 0.00 C ATOM 39 OE1 GLU A 4 8.673 9.814 5.169 1.00 0.00 O ATOM 40 OE2 GLU A 4 8.587 9.100 7.245 1.00 0.00 O ATOM 0 H GLU A 4 4.589 8.209 2.562 1.00 0.00 H new ATOM 0 HA GLU A 4 7.314 8.324 3.152 1.00 0.00 H new ATOM 0 HB2 GLU A 4 5.991 8.423 5.524 1.00 0.00 H new ATOM 0 HB3 GLU A 4 6.024 6.687 5.294 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.026 6.854 6.346 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.611 7.222 4.736 1.00 0.00 H new ATOM 47 N ALA A 5 7.397 6.063 2.145 1.00 0.00 N ATOM 48 CA ALA A 5 7.431 4.788 1.439 1.00 0.00 C ATOM 49 C ALA A 5 7.151 3.627 2.386 1.00 0.00 C ATOM 50 O ALA A 5 6.442 2.683 2.036 1.00 0.00 O ATOM 51 CB ALA A 5 8.776 4.601 0.753 1.00 0.00 C ATOM 0 H ALA A 5 8.258 6.606 2.077 1.00 0.00 H new ATOM 0 HA ALA A 5 6.647 4.800 0.681 1.00 0.00 H new ATOM 0 HB1 ALA A 5 8.788 3.645 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.935 5.408 0.038 1.00 0.00 H new ATOM 0 HB3 ALA A 5 9.570 4.616 1.499 1.00 0.00 H new ATOM 57 N GLU A 6 7.713 3.705 3.586 1.00 0.00 N ATOM 58 CA GLU A 6 7.527 2.662 4.588 1.00 0.00 C ATOM 59 C GLU A 6 6.307 2.955 5.459 1.00 0.00 C ATOM 60 O GLU A 6 6.391 2.946 6.687 1.00 0.00 O ATOM 61 CB GLU A 6 8.776 2.535 5.461 1.00 0.00 C ATOM 62 CG GLU A 6 10.007 2.075 4.698 1.00 0.00 C ATOM 63 CD GLU A 6 9.866 0.666 4.159 1.00 0.00 C ATOM 64 OE1 GLU A 6 9.705 -0.268 4.973 1.00 0.00 O ATOM 65 OE2 GLU A 6 9.918 0.494 2.923 1.00 0.00 O ATOM 0 H GLU A 6 8.302 4.480 3.889 1.00 0.00 H new ATOM 0 HA GLU A 6 7.360 1.719 4.068 1.00 0.00 H new ATOM 0 HB2 GLU A 6 8.985 3.499 5.924 1.00 0.00 H new ATOM 0 HB3 GLU A 6 8.575 1.831 6.268 1.00 0.00 H new ATOM 0 HG2 GLU A 6 10.194 2.760 3.871 1.00 0.00 H new ATOM 0 HG3 GLU A 6 10.876 2.124 5.354 1.00 0.00 H new ATOM 72 N THR A 7 5.173 3.215 4.815 1.00 0.00 N ATOM 73 CA THR A 7 3.938 3.510 5.532 1.00 0.00 C ATOM 74 C THR A 7 2.995 2.312 5.509 1.00 0.00 C ATOM 75 O THR A 7 2.225 2.097 6.445 1.00 0.00 O ATOM 76 CB THR A 7 3.248 4.731 4.920 1.00 0.00 C ATOM 77 OG1 THR A 7 2.113 5.100 5.684 1.00 0.00 O ATOM 78 CG2 THR A 7 2.790 4.512 3.495 1.00 0.00 C ATOM 0 H THR A 7 5.084 3.227 3.799 1.00 0.00 H new ATOM 0 HA THR A 7 4.192 3.727 6.569 1.00 0.00 H new ATOM 0 HB THR A 7 4.002 5.519 4.923 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.686 5.883 5.278 1.00 0.00 H new ATOM 0 HG21 THR A 7 2.310 5.417 3.124 1.00 0.00 H new ATOM 0 HG22 THR A 7 3.650 4.275 2.869 1.00 0.00 H new ATOM 0 HG23 THR A 7 2.080 3.686 3.464 1.00 0.00 H new ATOM 83 N GLU A 8 3.060 1.534 4.433 1.00 0.00 N ATOM 84 CA GLU A 8 2.211 0.357 4.288 1.00 0.00 C ATOM 85 C GLU A 8 0.736 0.740 4.326 1.00 0.00 C ATOM 86 O GLU A 8 -0.107 -0.037 4.774 1.00 0.00 O ATOM 87 CB GLU A 8 2.516 -0.656 5.394 1.00 0.00 C ATOM 88 CG GLU A 8 2.386 -2.102 4.946 1.00 0.00 C ATOM 89 CD GLU A 8 3.702 -2.686 4.469 1.00 0.00 C ATOM 90 OE1 GLU A 8 4.569 -2.970 5.321 1.00 0.00 O ATOM 91 OE2 GLU A 8 3.864 -2.858 3.242 1.00 0.00 O ATOM 0 H GLU A 8 3.692 1.697 3.649 1.00 0.00 H new ATOM 0 HA GLU A 8 2.424 -0.096 3.320 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.529 -0.487 5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.841 -0.482 6.232 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.005 -2.702 5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.652 -2.165 4.142 1.00 0.00 H new ATOM 98 N ASN A 9 0.431 1.944 3.853 1.00 0.00 N ATOM 99 CA ASN A 9 -0.945 2.431 3.833 1.00 0.00 C ATOM 100 C ASN A 9 -1.027 3.802 3.171 1.00 0.00 C ATOM 101 O ASN A 9 -0.732 4.823 3.794 1.00 0.00 O ATOM 102 CB ASN A 9 -1.503 2.505 5.256 1.00 0.00 C ATOM 103 CG ASN A 9 -2.961 2.918 5.285 1.00 0.00 C ATOM 104 OD1 ASN A 9 -3.586 3.106 4.240 1.00 0.00 O ATOM 105 ND2 ASN A 9 -3.512 3.062 6.484 1.00 0.00 N ATOM 0 H ASN A 9 1.116 2.600 3.479 1.00 0.00 H new ATOM 0 HA ASN A 9 -1.544 1.730 3.251 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.394 1.533 5.737 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -0.915 3.216 5.837 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -4.490 3.339 6.566 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.957 2.896 7.324 1.00 0.00 H new ATOM 110 N PHE A 10 -1.428 3.819 1.904 1.00 0.00 N ATOM 111 CA PHE A 10 -1.549 5.065 1.156 1.00 0.00 C ATOM 112 C PHE A 10 -3.014 5.433 0.945 1.00 0.00 C ATOM 113 O PHE A 10 -3.516 6.387 1.538 1.00 0.00 O ATOM 114 CB PHE A 10 -0.838 4.944 -0.194 1.00 0.00 C ATOM 115 CG PHE A 10 -0.883 6.202 -1.015 1.00 0.00 C ATOM 116 CD1 PHE A 10 -0.735 7.444 -0.418 1.00 0.00 C ATOM 117 CD2 PHE A 10 -1.073 6.142 -2.387 1.00 0.00 C ATOM 118 CE1 PHE A 10 -0.775 8.601 -1.173 1.00 0.00 C ATOM 119 CE2 PHE A 10 -1.115 7.295 -3.147 1.00 0.00 C ATOM 120 CZ PHE A 10 -0.965 8.526 -2.539 1.00 0.00 C ATOM 0 H PHE A 10 -1.675 2.983 1.374 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.076 5.857 1.737 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.203 4.669 -0.023 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -1.293 4.133 -0.763 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.587 7.509 0.650 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.190 5.182 -2.868 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.658 9.563 -0.695 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.265 7.234 -4.215 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.996 9.429 -3.131 1.00 0.00 H new ATOM 130 N VAL A 11 -3.696 4.668 0.097 1.00 0.00 N ATOM 131 CA VAL A 11 -5.105 4.914 -0.191 1.00 0.00 C ATOM 132 C VAL A 11 -5.658 3.873 -1.159 1.00 0.00 C ATOM 133 O VAL A 11 -6.345 2.935 -0.753 1.00 0.00 O ATOM 134 CB VAL A 11 -5.337 6.326 -0.779 1.00 0.00 C ATOM 135 CG1 VAL A 11 -5.793 7.290 0.307 1.00 0.00 C ATOM 136 CG2 VAL A 11 -4.084 6.844 -1.472 1.00 0.00 C ATOM 0 H VAL A 11 -3.296 3.873 -0.402 1.00 0.00 H new ATOM 0 HA VAL A 11 -5.632 4.842 0.760 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.126 6.255 -1.527 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -5.951 8.278 -0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -6.725 6.932 0.743 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -5.030 7.352 1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.276 7.838 -1.876 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.266 6.896 -0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -3.812 6.169 -2.284 1.00 0.00 H new ATOM 140 N HIS A 12 -5.358 4.045 -2.440 1.00 0.00 N ATOM 141 CA HIS A 12 -5.827 3.125 -3.468 1.00 0.00 C ATOM 142 C HIS A 12 -4.972 1.858 -3.509 1.00 0.00 C ATOM 143 O HIS A 12 -5.499 0.747 -3.452 1.00 0.00 O ATOM 144 CB HIS A 12 -5.821 3.808 -4.836 1.00 0.00 C ATOM 145 CG HIS A 12 -7.107 4.503 -5.160 1.00 0.00 C ATOM 146 ND1 HIS A 12 -7.597 5.560 -4.422 1.00 0.00 N ATOM 147 CD2 HIS A 12 -8.007 4.289 -6.149 1.00 0.00 C ATOM 148 CE1 HIS A 12 -8.742 5.965 -4.941 1.00 0.00 C ATOM 149 NE2 HIS A 12 -9.013 5.210 -5.991 1.00 0.00 N ATOM 0 H HIS A 12 -4.790 4.816 -2.793 1.00 0.00 H new ATOM 0 HA HIS A 12 -6.848 2.837 -3.219 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -5.007 4.532 -4.868 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -5.616 3.063 -5.605 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -7.945 3.534 -6.919 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -9.353 6.775 -4.570 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -9.836 5.297 -6.587 1.00 0.00 H new ATOM 158 N PRO A 13 -3.638 2.003 -3.612 1.00 0.00 N ATOM 159 CA PRO A 13 -2.724 0.860 -3.663 1.00 0.00 C ATOM 160 C PRO A 13 -2.445 0.262 -2.286 1.00 0.00 C ATOM 161 O PRO A 13 -1.677 -0.692 -2.161 1.00 0.00 O ATOM 162 CB PRO A 13 -1.453 1.468 -4.249 1.00 0.00 C ATOM 163 CG PRO A 13 -1.465 2.882 -3.779 1.00 0.00 C ATOM 164 CD PRO A 13 -2.914 3.289 -3.691 1.00 0.00 C ATOM 0 HA PRO A 13 -3.135 0.034 -4.243 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.564 0.942 -3.901 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.451 1.412 -5.338 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.976 2.973 -2.809 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.922 3.526 -4.471 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.103 3.909 -2.814 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.221 3.868 -4.562 1.00 0.00 H new ATOM 172 N THR A 14 -3.069 0.824 -1.253 1.00 0.00 N ATOM 173 CA THR A 14 -2.880 0.337 0.109 1.00 0.00 C ATOM 174 C THR A 14 -3.271 -1.132 0.223 1.00 0.00 C ATOM 175 O THR A 14 -2.580 -1.922 0.866 1.00 0.00 O ATOM 176 CB THR A 14 -3.702 1.175 1.091 1.00 0.00 C ATOM 177 OG1 THR A 14 -3.429 0.792 2.427 1.00 0.00 O ATOM 178 CG2 THR A 14 -5.195 1.057 0.876 1.00 0.00 C ATOM 0 H THR A 14 -3.708 1.615 -1.334 1.00 0.00 H new ATOM 0 HA THR A 14 -1.823 0.431 0.358 1.00 0.00 H new ATOM 0 HB THR A 14 -3.406 2.208 0.907 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.517 1.571 3.015 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.718 1.676 1.605 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.445 1.392 -0.130 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.499 0.017 0.998 1.00 0.00 H new ATOM 183 N GLY A 15 -4.386 -1.492 -0.405 1.00 0.00 N ATOM 184 CA GLY A 15 -4.851 -2.866 -0.361 1.00 0.00 C ATOM 185 C GLY A 15 -6.360 -2.972 -0.456 1.00 0.00 C ATOM 186 O GLY A 15 -6.985 -3.723 0.293 1.00 0.00 O ATOM 0 H GLY A 15 -4.975 -0.857 -0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -4.399 -3.426 -1.180 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.515 -3.330 0.566 1.00 0.00 H new ATOM 190 N SER A 16 -6.947 -2.219 -1.380 1.00 0.00 N ATOM 191 CA SER A 16 -8.393 -2.230 -1.571 1.00 0.00 C ATOM 192 C SER A 16 -8.835 -3.493 -2.303 1.00 0.00 C ATOM 193 O SER A 16 -8.014 -4.212 -2.874 1.00 0.00 O ATOM 194 CB SER A 16 -8.835 -0.992 -2.352 1.00 0.00 C ATOM 195 OG SER A 16 -10.095 -0.527 -1.901 1.00 0.00 O ATOM 0 H SER A 16 -6.444 -1.593 -2.009 1.00 0.00 H new ATOM 0 HA SER A 16 -8.864 -2.218 -0.588 1.00 0.00 H new ATOM 0 HB2 SER A 16 -8.091 -0.203 -2.240 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.890 -1.229 -3.414 1.00 0.00 H new ATOM 0 HG SER A 16 -10.354 0.266 -2.415 1.00 0.00 H new ATOM 201 N SER A 17 -10.137 -3.757 -2.284 1.00 0.00 N ATOM 202 CA SER A 17 -10.689 -4.933 -2.946 1.00 0.00 C ATOM 203 C SER A 17 -12.178 -4.754 -3.222 1.00 0.00 C ATOM 204 O SER A 17 -12.940 -5.721 -3.217 1.00 0.00 O ATOM 205 CB SER A 17 -10.462 -6.180 -2.090 1.00 0.00 C ATOM 206 OG SER A 17 -11.419 -6.264 -1.048 1.00 0.00 O ATOM 0 H SER A 17 -10.830 -3.172 -1.817 1.00 0.00 H new ATOM 0 HA SER A 17 -10.175 -5.057 -3.899 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.522 -7.070 -2.716 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.458 -6.156 -1.665 1.00 0.00 H new ATOM 0 HG SER A 17 -11.254 -7.070 -0.516 1.00 0.00 H new ATOM 212 N ARG A 18 -12.586 -3.512 -3.462 1.00 0.00 N ATOM 213 CA ARG A 18 -13.984 -3.207 -3.739 1.00 0.00 C ATOM 214 C ARG A 18 -14.461 -3.932 -4.993 1.00 0.00 C ATOM 215 O ARG A 18 -13.655 -4.443 -5.772 1.00 0.00 O ATOM 216 CB ARG A 18 -14.176 -1.698 -3.904 1.00 0.00 C ATOM 217 CG ARG A 18 -15.497 -1.189 -3.352 1.00 0.00 C ATOM 218 CD ARG A 18 -15.607 0.323 -3.477 1.00 0.00 C ATOM 219 NE ARG A 18 -16.376 0.907 -2.381 1.00 0.00 N ATOM 220 CZ ARG A 18 -16.375 2.205 -2.085 1.00 0.00 C ATOM 221 NH1 ARG A 18 -15.646 3.055 -2.799 1.00 0.00 N ATOM 222 NH2 ARG A 18 -17.103 2.655 -1.072 1.00 0.00 N ATOM 0 H ARG A 18 -11.968 -2.701 -3.470 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.579 -3.552 -2.893 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.359 -1.179 -3.403 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.113 -1.446 -4.963 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.322 -1.660 -3.886 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.590 -1.476 -2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.608 0.759 -3.492 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -16.080 0.575 -4.426 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.947 0.284 -1.809 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.083 2.714 -3.579 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.649 4.048 -2.568 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.664 2.007 -0.519 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.102 3.650 -0.845 1.00 0.00 H new ATOM 236 N SER A 19 -15.776 -3.973 -5.183 1.00 0.00 N ATOM 237 CA SER A 19 -16.360 -4.635 -6.343 1.00 0.00 C ATOM 238 C SER A 19 -15.993 -6.115 -6.367 1.00 0.00 C ATOM 239 O SER A 19 -16.864 -6.969 -6.520 1.00 99.99 O ATOM 240 CB SER A 19 -15.890 -3.960 -7.633 1.00 0.00 C ATOM 241 OG SER A 19 -16.716 -4.317 -8.727 1.00 0.00 O ATOM 0 H SER A 19 -16.457 -3.556 -4.548 1.00 0.00 H new ATOM 0 HA SER A 19 -17.444 -4.549 -6.271 1.00 0.00 H new ATOM 0 HB2 SER A 19 -15.899 -2.878 -7.505 1.00 0.00 H new ATOM 0 HB3 SER A 19 -14.860 -4.247 -7.843 1.00 0.00 H new ATOM 0 HG SER A 19 -16.395 -3.871 -9.538 1.00 0.00 H new TER 247 SER A 19