USER MOD reduce.3.24.130724 H: found=0, std=0, add=145, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 142 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 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 2.157 -5.257 -1.922 1.00 0.00 N ATOM 2 CA LEU A 1 2.050 -3.850 -1.549 1.00 0.00 C ATOM 3 C LEU A 1 0.949 -3.158 -2.347 1.00 0.00 C ATOM 4 O LEU A 1 0.970 -3.153 -3.578 1.00 0.00 O ATOM 5 CB LEU A 1 3.385 -3.139 -1.777 1.00 0.00 C ATOM 6 CG LEU A 1 4.488 -3.441 -0.762 1.00 0.00 C ATOM 7 CD1 LEU A 1 5.800 -2.806 -1.194 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.087 -2.953 0.623 1.00 0.00 C ATOM 0 H1 LEU A 1 2.912 -5.707 -1.366 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.254 -5.736 -1.731 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.381 -5.332 -2.935 1.00 0.00 H new ATOM 0 HA LEU A 1 1.794 -3.798 -0.491 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.750 -3.403 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.205 -2.064 -1.779 1.00 0.00 H new ATOM 0 HG LEU A 1 4.629 -4.521 -0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.573 -3.032 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 1 6.095 -3.204 -2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.674 -1.726 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.884 -3.176 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.918 -1.877 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.172 -3.456 0.935 1.00 0.00 H new ATOM 20 N GLY A 2 -0.010 -2.573 -1.638 1.00 0.00 N ATOM 21 CA GLY A 2 -1.105 -1.884 -2.297 1.00 0.00 C ATOM 22 C GLY A 2 -2.249 -2.814 -2.646 1.00 0.00 C ATOM 23 O GLY A 2 -2.316 -3.940 -2.152 1.00 0.00 O ATOM 0 H GLY A 2 -0.049 -2.563 -0.619 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.472 -1.089 -1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.737 -1.409 -3.206 1.00 0.00 H new ATOM 27 N ARG A 3 -3.154 -2.343 -3.498 1.00 0.00 N ATOM 28 CA ARG A 3 -4.303 -3.140 -3.910 1.00 0.00 C ATOM 29 C ARG A 3 -3.854 -4.444 -4.563 1.00 0.00 C ATOM 30 O ARG A 3 -2.658 -4.707 -4.691 1.00 0.00 O ATOM 31 CB ARG A 3 -5.179 -2.346 -4.881 1.00 0.00 C ATOM 32 CG ARG A 3 -5.583 -0.977 -4.358 1.00 0.00 C ATOM 33 CD ARG A 3 -6.838 -0.465 -5.047 1.00 0.00 C ATOM 34 NE ARG A 3 -6.541 0.150 -6.338 1.00 0.00 N ATOM 35 CZ ARG A 3 -7.475 0.576 -7.181 1.00 0.00 C ATOM 36 NH1 ARG A 3 -8.758 0.454 -6.871 1.00 0.00 N ATOM 37 NH2 ARG A 3 -7.125 1.125 -8.337 1.00 0.00 N ATOM 0 H ARG A 3 -3.114 -1.414 -3.916 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.885 -3.381 -3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.643 -2.222 -5.822 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -6.078 -2.922 -5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.754 -1.033 -3.283 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.767 -0.271 -4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.535 -1.290 -5.190 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.333 0.263 -4.404 1.00 0.00 H new ATOM 0 HE ARG A 3 -5.563 0.258 -6.607 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.030 0.032 -5.983 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.473 0.782 -7.520 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.139 1.220 -8.579 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.842 1.452 -8.984 1.00 0.00 H new ATOM 51 N VAL A 4 -4.821 -5.257 -4.975 1.00 0.00 N ATOM 52 CA VAL A 4 -4.526 -6.533 -5.615 1.00 0.00 C ATOM 53 C VAL A 4 -4.895 -6.504 -7.094 1.00 0.00 C ATOM 54 O VAL A 4 -4.060 -6.773 -7.958 1.00 0.00 O ATOM 55 CB VAL A 4 -5.279 -7.691 -4.933 1.00 0.00 C ATOM 56 CG1 VAL A 4 -4.865 -9.025 -5.534 1.00 0.00 C ATOM 57 CG2 VAL A 4 -5.033 -7.674 -3.432 1.00 0.00 C ATOM 0 H VAL A 4 -5.816 -5.055 -4.877 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.453 -6.697 -5.513 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.347 -7.559 -5.105 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.407 -9.831 -5.039 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -5.097 -9.032 -6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.794 -9.170 -5.395 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.572 -8.499 -2.966 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.966 -7.782 -3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.384 -6.730 -3.016 1.00 0.00 H new ATOM 67 N ASP A 5 -6.150 -6.176 -7.379 1.00 0.00 N ATOM 68 CA ASP A 5 -6.630 -6.110 -8.755 1.00 0.00 C ATOM 69 C ASP A 5 -7.532 -4.896 -8.958 1.00 0.00 C ATOM 70 O ASP A 5 -8.418 -4.626 -8.146 1.00 0.00 O ATOM 71 CB ASP A 5 -7.386 -7.389 -9.116 1.00 0.00 C ATOM 72 CG ASP A 5 -8.660 -7.555 -8.310 1.00 0.00 C ATOM 73 OD1 ASP A 5 -8.564 -7.874 -7.106 1.00 0.00 O ATOM 74 OD2 ASP A 5 -9.753 -7.366 -8.883 1.00 0.00 O ATOM 0 H ASP A 5 -6.854 -5.952 -6.676 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.765 -6.011 -9.411 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.630 -7.376 -10.178 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.739 -8.250 -8.949 1.00 0.00 H new ATOM 79 N ILE A 6 -7.299 -4.168 -10.045 1.00 0.00 N ATOM 80 CA ILE A 6 -8.091 -2.984 -10.354 1.00 0.00 C ATOM 81 C ILE A 6 -9.214 -3.313 -11.332 1.00 0.00 C ATOM 82 O ILE A 6 -9.002 -4.008 -12.327 1.00 0.00 O ATOM 83 CB ILE A 6 -7.218 -1.863 -10.950 1.00 0.00 C ATOM 84 CG1 ILE A 6 -6.072 -1.519 -9.997 1.00 0.00 C ATOM 85 CG2 ILE A 6 -8.063 -0.631 -11.239 1.00 0.00 C ATOM 86 CD1 ILE A 6 -4.833 -2.360 -10.213 1.00 0.00 C ATOM 0 H ILE A 6 -6.569 -4.377 -10.726 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.521 -2.638 -9.414 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.791 -2.215 -11.889 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.813 -0.467 -10.118 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.414 -1.647 -8.970 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.432 0.152 -11.660 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.848 -0.887 -11.951 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.515 -0.275 -10.313 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.062 -2.061 -9.503 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.077 -3.412 -10.063 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.467 -2.214 -11.229 1.00 0.00 H new ATOM 98 N HIS A 7 -10.409 -2.807 -11.045 1.00 0.00 N ATOM 99 CA HIS A 7 -11.566 -3.045 -11.901 1.00 0.00 C ATOM 100 C HIS A 7 -11.301 -2.555 -13.321 1.00 0.00 C ATOM 101 O HIS A 7 -11.326 -3.336 -14.273 1.00 0.00 O ATOM 102 CB HIS A 7 -12.801 -2.348 -11.330 1.00 0.00 C ATOM 103 CG HIS A 7 -13.921 -3.286 -11.001 1.00 0.00 C ATOM 104 ND1 HIS A 7 -14.844 -3.711 -11.933 1.00 0.00 N ATOM 105 CD2 HIS A 7 -14.262 -3.884 -9.836 1.00 0.00 C ATOM 106 CE1 HIS A 7 -15.706 -4.528 -11.354 1.00 0.00 C ATOM 107 NE2 HIS A 7 -15.374 -4.650 -10.081 1.00 0.00 N ATOM 0 H HIS A 7 -10.602 -2.230 -10.226 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.748 -4.119 -11.935 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.517 -1.805 -10.429 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -13.156 -1.610 -12.049 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.753 -3.778 -8.889 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.540 -5.013 -11.839 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -15.864 -5.221 -9.392 1.00 0.00 H new ATOM 115 N VAL A 8 -11.047 -1.258 -13.457 1.00 0.00 N ATOM 116 CA VAL A 8 -10.777 -0.664 -14.760 1.00 0.00 C ATOM 117 C VAL A 8 -9.471 -1.191 -15.345 1.00 0.00 C ATOM 118 O VAL A 8 -8.512 -1.446 -14.617 1.00 0.00 O ATOM 119 CB VAL A 8 -10.703 0.872 -14.673 1.00 0.00 C ATOM 120 CG1 VAL A 8 -12.027 1.444 -14.188 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.563 1.300 -13.762 1.00 0.00 C ATOM 0 H VAL A 8 -11.023 -0.598 -12.680 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.604 -0.945 -15.412 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.508 1.266 -15.671 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.956 2.530 -14.133 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.819 1.167 -14.883 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.256 1.045 -13.200 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.526 2.388 -13.712 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.725 0.897 -12.762 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.620 0.922 -14.157 1.00 0.00 H new ATOM 131 N TRP A 9 -9.442 -1.353 -16.663 1.00 0.00 N ATOM 132 CA TRP A 9 -8.253 -1.850 -17.346 1.00 0.00 C ATOM 133 C TRP A 9 -8.034 -1.114 -18.662 1.00 0.00 C ATOM 134 O TRP A 9 -8.919 -1.074 -19.517 1.00 0.00 O ATOM 135 CB TRP A 9 -8.379 -3.353 -17.602 1.00 0.00 C ATOM 136 CG TRP A 9 -7.060 -4.065 -17.619 1.00 0.00 C ATOM 137 CD1 TRP A 9 -6.275 -4.310 -18.710 1.00 0.00 C ATOM 138 CD2 TRP A 9 -6.373 -4.624 -16.494 1.00 0.00 C ATOM 139 NE1 TRP A 9 -5.142 -4.989 -18.330 1.00 0.00 N ATOM 140 CE2 TRP A 9 -5.178 -5.193 -16.976 1.00 0.00 C ATOM 141 CE3 TRP A 9 -6.651 -4.699 -15.127 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -4.265 -5.827 -16.138 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -5.744 -5.329 -14.296 1.00 0.00 C ATOM 144 CH2 TRP A 9 -4.562 -5.885 -14.803 1.00 0.00 C ATOM 0 H TRP A 9 -10.228 -1.148 -17.280 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.392 -1.669 -16.703 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -9.012 -3.794 -16.832 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -8.881 -3.511 -18.556 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -6.510 -4.014 -19.722 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.395 -5.292 -18.955 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.559 -4.272 -14.727 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.354 -6.258 -16.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -5.950 -5.394 -13.238 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -3.872 -6.369 -14.127 1.00 0.00 H new ATOM 155 N ASP A 10 -6.850 -0.531 -18.819 1.00 0.00 N ATOM 156 CA ASP A 10 -6.514 0.203 -20.033 1.00 0.00 C ATOM 157 C ASP A 10 -7.459 1.384 -20.233 1.00 0.00 C ATOM 158 O ASP A 10 -7.717 1.802 -21.361 1.00 0.00 O ATOM 159 CB ASP A 10 -6.573 -0.724 -21.249 1.00 0.00 C ATOM 160 CG ASP A 10 -5.815 -0.168 -22.438 1.00 0.00 C ATOM 161 OD1 ASP A 10 -4.710 0.378 -22.235 1.00 0.00 O ATOM 162 OD2 ASP A 10 -6.326 -0.281 -23.572 1.00 0.00 O ATOM 0 H ASP A 10 -6.107 -0.553 -18.120 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.499 0.586 -19.927 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.160 -1.697 -20.981 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.614 -0.886 -21.529 1.00 0.00 H new ATOM 167 N GLY A 11 -7.972 1.918 -19.129 1.00 0.00 N ATOM 168 CA GLY A 11 -8.883 3.045 -19.204 1.00 0.00 C ATOM 169 C GLY A 11 -10.237 2.659 -19.766 1.00 0.00 C ATOM 170 O GLY A 11 -10.977 3.509 -20.261 1.00 0.00 O ATOM 0 H GLY A 11 -7.773 1.590 -18.184 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.014 3.470 -18.209 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.443 3.823 -19.827 1.00 0.00 H new ATOM 174 N VAL A 12 -10.562 1.373 -19.691 1.00 0.00 N ATOM 175 CA VAL A 12 -11.836 0.875 -20.197 1.00 0.00 C ATOM 176 C VAL A 12 -12.312 -0.332 -19.396 1.00 0.00 C ATOM 177 O VAL A 12 -11.562 -1.286 -19.188 1.00 0.00 O ATOM 178 CB VAL A 12 -11.736 0.485 -21.683 1.00 0.00 C ATOM 179 CG1 VAL A 12 -11.557 1.723 -22.549 1.00 0.00 C ATOM 180 CG2 VAL A 12 -10.595 -0.498 -21.900 1.00 0.00 C ATOM 0 H VAL A 12 -9.961 0.656 -19.285 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.557 1.685 -20.090 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.666 -0.003 -21.976 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.488 1.428 -23.596 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.411 2.388 -22.415 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.644 2.242 -22.258 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.539 -0.763 -22.956 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.656 -0.039 -21.590 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.772 -1.397 -21.309 1.00 0.00 H new ATOM 190 N TYR A 13 -13.562 -0.284 -18.950 1.00 0.00 N ATOM 191 CA TYR A 13 -14.137 -1.374 -18.171 1.00 0.00 C ATOM 192 C TYR A 13 -14.109 -2.681 -18.957 1.00 0.00 C ATOM 193 O TYR A 13 -14.405 -2.706 -20.152 1.00 0.00 O ATOM 194 CB TYR A 13 -15.575 -1.038 -17.770 1.00 0.00 C ATOM 195 CG TYR A 13 -15.702 0.255 -16.998 1.00 0.00 C ATOM 196 CD1 TYR A 13 -15.382 0.314 -15.647 1.00 0.00 C ATOM 197 CD2 TYR A 13 -16.143 1.418 -17.618 1.00 0.00 C ATOM 198 CE1 TYR A 13 -15.497 1.494 -14.936 1.00 0.00 C ATOM 199 CE2 TYR A 13 -16.260 2.602 -16.916 1.00 0.00 C ATOM 200 CZ TYR A 13 -15.936 2.635 -15.575 1.00 0.00 C ATOM 201 OH TYR A 13 -16.053 3.812 -14.872 1.00 0.00 O ATOM 0 H TYR A 13 -14.196 0.498 -19.114 1.00 0.00 H new ATOM 0 HA TYR A 13 -13.535 -1.500 -17.271 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -16.189 -0.977 -18.669 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -15.975 -1.853 -17.166 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -15.038 -0.577 -15.144 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -16.399 1.396 -18.667 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -15.245 1.522 -13.886 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -16.603 3.497 -17.414 1.00 0.00 H new ATOM 0 HH TYR A 13 -16.374 4.519 -15.470 1.00 0.00 H new ATOM 211 N ILE A 14 -13.750 -3.765 -18.277 1.00 0.00 N ATOM 212 CA ILE A 14 -13.684 -5.076 -18.911 1.00 0.00 C ATOM 213 C ILE A 14 -15.014 -5.439 -19.562 1.00 0.00 C ATOM 214 O ILE A 14 -16.013 -5.658 -18.877 1.00 0.00 O ATOM 215 CB ILE A 14 -13.305 -6.172 -17.897 1.00 0.00 C ATOM 216 CG1 ILE A 14 -11.965 -5.844 -17.235 1.00 0.00 C ATOM 217 CG2 ILE A 14 -13.246 -7.529 -18.582 1.00 0.00 C ATOM 218 CD1 ILE A 14 -10.822 -5.713 -18.218 1.00 0.00 C ATOM 0 H ILE A 14 -13.501 -3.761 -17.288 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.911 -5.018 -19.678 1.00 0.00 H new ATOM 0 HB ILE A 14 -14.071 -6.211 -17.122 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -12.063 -4.913 -16.677 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -11.725 -6.624 -16.513 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -12.977 -8.293 -17.853 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -14.221 -7.763 -19.010 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -12.498 -7.504 -19.374 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.904 -5.480 -17.679 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.698 -6.651 -18.758 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -11.040 -4.913 -18.925 1.00 0.00 H new ATOM 230 N ARG A 15 -15.018 -5.504 -20.890 1.00 0.00 N ATOM 231 CA ARG A 15 -16.225 -5.841 -21.635 1.00 0.00 C ATOM 232 C ARG A 15 -16.847 -7.130 -21.106 1.00 0.00 C ATOM 233 O ARG A 15 -16.140 -8.050 -20.696 1.00 0.00 O ATOM 234 CB ARG A 15 -15.906 -5.989 -23.124 1.00 0.00 C ATOM 235 CG ARG A 15 -15.194 -7.287 -23.468 1.00 0.00 C ATOM 236 CD ARG A 15 -14.517 -7.208 -24.827 1.00 0.00 C ATOM 237 NE ARG A 15 -15.487 -7.146 -25.918 1.00 0.00 N ATOM 238 CZ ARG A 15 -15.165 -6.846 -27.171 1.00 0.00 C ATOM 239 NH1 ARG A 15 -13.905 -6.582 -27.491 1.00 0.00 N ATOM 240 NH2 ARG A 15 -16.103 -6.810 -28.109 1.00 0.00 N ATOM 0 H ARG A 15 -14.199 -5.328 -21.472 1.00 0.00 H new ATOM 0 HA ARG A 15 -16.942 -5.031 -21.503 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.834 -5.931 -23.693 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -15.286 -5.150 -23.439 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -14.451 -7.509 -22.702 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.911 -8.108 -23.465 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -13.875 -6.328 -24.862 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -13.873 -8.077 -24.963 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.465 -7.344 -25.706 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -13.180 -6.609 -26.774 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.661 -6.352 -28.454 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -17.073 -7.013 -27.868 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.854 -6.579 -29.071 1.00 0.00 H new ATOM 254 N GLY A 16 -18.175 -7.189 -21.118 1.00 0.00 N ATOM 255 CA GLY A 16 -18.870 -8.369 -20.637 1.00 0.00 C ATOM 256 C GLY A 16 -18.523 -8.700 -19.199 1.00 0.00 C ATOM 257 O GLY A 16 -19.018 -8.060 -18.271 1.00 0.00 O ATOM 0 H GLY A 16 -18.782 -6.441 -21.452 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -19.945 -8.213 -20.721 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -18.620 -9.218 -21.273 1.00 0.00 H new ATOM 261 N ARG A 17 -17.672 -9.704 -19.014 1.00 0.00 N ATOM 262 CA ARG A 17 -17.262 -10.121 -17.678 1.00 0.00 C ATOM 263 C ARG A 17 -16.255 -9.139 -17.087 1.00 0.00 C ATOM 264 O ARG A 17 -16.082 -9.068 -15.871 1.00 0.00 O ATOM 265 CB ARG A 17 -16.657 -11.525 -17.723 1.00 0.00 C ATOM 266 CG ARG A 17 -16.686 -12.243 -16.384 1.00 0.00 C ATOM 267 CD ARG A 17 -15.841 -13.508 -16.411 1.00 0.00 C ATOM 268 NE ARG A 17 -16.242 -14.457 -15.376 1.00 0.00 N ATOM 269 CZ ARG A 17 -15.623 -15.611 -15.158 1.00 0.00 C ATOM 270 NH1 ARG A 17 -14.579 -15.958 -15.899 1.00 0.00 N ATOM 271 NH2 ARG A 17 -16.047 -16.422 -14.197 1.00 0.00 N ATOM 0 H ARG A 17 -17.253 -10.243 -19.772 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.146 -10.134 -17.041 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.198 -12.121 -18.457 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.625 -11.456 -18.067 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.319 -11.576 -15.604 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -17.715 -12.497 -16.128 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.928 -13.981 -17.389 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.792 -13.246 -16.275 1.00 0.00 H new ATOM 0 HE ARG A 17 -17.041 -14.220 -14.788 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.250 -15.338 -16.639 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.105 -16.845 -15.729 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.849 -16.159 -13.625 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.571 -17.308 -14.031 1.00 0.00 H new TER 285 ARG A 17