USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 267 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 16 GLN : amide:sc= -3.41! C(o=-3.4!,f=-5!) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=-0.0084) USER MOD Single : A 30 GLN : amide:sc=-0.00193 X(o=-0.0019,f=0) USER MOD Single : A 32 THR OG1 : rot 130:sc= 0.939 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.01 X(o=0.01,f=0) USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 9 16.503 2.450 3.732 1.00 0.00 N ATOM 88 CA ASP A 9 16.431 3.608 4.618 1.00 0.00 C ATOM 89 C ASP A 9 16.529 4.910 3.822 1.00 0.00 C ATOM 90 O ASP A 9 15.637 5.753 3.889 1.00 0.00 O ATOM 91 CB ASP A 9 17.544 3.539 5.664 1.00 0.00 C ATOM 92 CG ASP A 9 17.028 3.736 7.074 1.00 0.00 C ATOM 93 OD1 ASP A 9 16.360 4.761 7.324 1.00 0.00 O ATOM 94 OD2 ASP A 9 17.291 2.864 7.924 1.00 0.00 O ATOM 0 HA ASP A 9 15.467 3.593 5.126 1.00 0.00 H new ATOM 0 HB2 ASP A 9 18.043 2.573 5.595 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.292 4.301 5.445 1.00 0.00 H new ATOM 99 N VAL A 10 17.614 5.060 3.055 1.00 0.00 N ATOM 100 CA VAL A 10 17.813 6.254 2.233 1.00 0.00 C ATOM 101 C VAL A 10 16.538 6.590 1.450 1.00 0.00 C ATOM 102 O VAL A 10 16.033 7.712 1.528 1.00 0.00 O ATOM 103 CB VAL A 10 19.004 6.084 1.257 1.00 0.00 C ATOM 104 CG1 VAL A 10 18.973 7.142 0.163 1.00 0.00 C ATOM 105 CG2 VAL A 10 20.323 6.143 2.013 1.00 0.00 C ATOM 0 H VAL A 10 18.364 4.372 2.988 1.00 0.00 H new ATOM 0 HA VAL A 10 18.045 7.078 2.908 1.00 0.00 H new ATOM 0 HB VAL A 10 18.914 5.106 0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 10 19.821 6.998 -0.507 1.00 0.00 H new ATOM 0 HG12 VAL A 10 18.045 7.054 -0.402 1.00 0.00 H new ATOM 0 HG13 VAL A 10 19.031 8.133 0.613 1.00 0.00 H new ATOM 0 HG21 VAL A 10 21.149 6.022 1.313 1.00 0.00 H new ATOM 0 HG22 VAL A 10 20.411 7.106 2.516 1.00 0.00 H new ATOM 0 HG23 VAL A 10 20.354 5.343 2.753 1.00 0.00 H new ATOM 115 N PRO A 11 15.977 5.614 0.699 1.00 0.00 N ATOM 116 CA PRO A 11 14.747 5.821 -0.065 1.00 0.00 C ATOM 117 C PRO A 11 13.495 5.698 0.791 1.00 0.00 C ATOM 118 O PRO A 11 12.532 5.023 0.419 1.00 0.00 O ATOM 119 CB PRO A 11 14.807 4.715 -1.110 1.00 0.00 C ATOM 120 CG PRO A 11 15.542 3.601 -0.444 1.00 0.00 C ATOM 121 CD PRO A 11 16.482 4.235 0.551 1.00 0.00 C ATOM 0 HA PRO A 11 14.686 6.824 -0.487 1.00 0.00 H new ATOM 0 HB2 PRO A 11 13.808 4.403 -1.414 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.325 5.048 -2.010 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.849 2.924 0.056 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.094 3.010 -1.175 1.00 0.00 H new ATOM 0 HD2 PRO A 11 16.473 3.703 1.502 1.00 0.00 H new ATOM 0 HD3 PRO A 11 17.510 4.224 0.190 1.00 0.00 H new ATOM 129 N ILE A 12 13.505 6.377 1.930 1.00 0.00 N ATOM 130 CA ILE A 12 12.369 6.362 2.826 1.00 0.00 C ATOM 131 C ILE A 12 11.161 7.034 2.171 1.00 0.00 C ATOM 132 O ILE A 12 10.014 6.733 2.499 1.00 0.00 O ATOM 133 CB ILE A 12 12.717 7.024 4.184 1.00 0.00 C ATOM 134 CG1 ILE A 12 13.029 5.936 5.222 1.00 0.00 C ATOM 135 CG2 ILE A 12 11.602 7.947 4.669 1.00 0.00 C ATOM 136 CD1 ILE A 12 12.056 5.875 6.382 1.00 0.00 C ATOM 0 H ILE A 12 14.290 6.944 2.251 1.00 0.00 H new ATOM 0 HA ILE A 12 12.108 5.323 3.029 1.00 0.00 H new ATOM 0 HB ILE A 12 13.600 7.648 4.046 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.040 4.967 4.722 1.00 0.00 H new ATOM 0 HG13 ILE A 12 14.032 6.103 5.614 1.00 0.00 H new ATOM 0 HG21 ILE A 12 11.886 8.390 5.623 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.439 8.737 3.936 1.00 0.00 H new ATOM 0 HG23 ILE A 12 10.684 7.373 4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 12 12.353 5.079 7.065 1.00 0.00 H new ATOM 0 HD12 ILE A 12 12.061 6.828 6.911 1.00 0.00 H new ATOM 0 HD13 ILE A 12 11.053 5.674 6.005 1.00 0.00 H new ATOM 148 N GLY A 13 11.426 7.917 1.207 1.00 0.00 N ATOM 149 CA GLY A 13 10.346 8.575 0.497 1.00 0.00 C ATOM 150 C GLY A 13 9.588 7.596 -0.373 1.00 0.00 C ATOM 151 O GLY A 13 8.368 7.689 -0.509 1.00 0.00 O ATOM 0 H GLY A 13 12.364 8.185 0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 13 9.664 9.034 1.212 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.749 9.378 -0.120 1.00 0.00 H new ATOM 155 N LEU A 14 10.320 6.635 -0.940 1.00 0.00 N ATOM 156 CA LEU A 14 9.720 5.606 -1.787 1.00 0.00 C ATOM 157 C LEU A 14 8.693 4.798 -0.999 1.00 0.00 C ATOM 158 O LEU A 14 7.650 4.413 -1.528 1.00 0.00 O ATOM 159 CB LEU A 14 10.797 4.670 -2.356 1.00 0.00 C ATOM 160 CG LEU A 14 12.060 5.352 -2.892 1.00 0.00 C ATOM 161 CD1 LEU A 14 12.857 4.388 -3.752 1.00 0.00 C ATOM 162 CD2 LEU A 14 11.711 6.598 -3.688 1.00 0.00 C ATOM 0 H LEU A 14 11.330 6.549 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 14 9.218 6.103 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 14 11.090 3.968 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.354 4.085 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 14 12.669 5.651 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 14 13.751 4.887 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 14 13.147 3.523 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.246 4.061 -4.593 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.626 7.062 -4.057 1.00 0.00 H new ATOM 0 HD22 LEU A 14 11.077 6.325 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.179 7.302 -3.048 1.00 0.00 H new ATOM 174 N LEU A 15 8.989 4.569 0.277 1.00 0.00 N ATOM 175 CA LEU A 15 8.079 3.826 1.149 1.00 0.00 C ATOM 176 C LEU A 15 7.057 4.760 1.796 1.00 0.00 C ATOM 177 O LEU A 15 5.955 4.332 2.147 1.00 0.00 O ATOM 178 CB LEU A 15 8.850 3.032 2.214 1.00 0.00 C ATOM 179 CG LEU A 15 9.739 3.860 3.139 1.00 0.00 C ATOM 180 CD1 LEU A 15 8.939 4.402 4.313 1.00 0.00 C ATOM 181 CD2 LEU A 15 10.911 3.030 3.635 1.00 0.00 C ATOM 0 H LEU A 15 9.847 4.884 0.730 1.00 0.00 H new ATOM 0 HA LEU A 15 7.538 3.110 0.530 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.132 2.485 2.824 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.471 2.291 1.710 1.00 0.00 H new ATOM 0 HG LEU A 15 10.128 4.705 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 15 9.592 4.989 4.959 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.132 5.034 3.943 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.518 3.572 4.881 1.00 0.00 H new ATOM 0 HD21 LEU A 15 11.534 3.636 4.293 1.00 0.00 H new ATOM 0 HD22 LEU A 15 10.538 2.165 4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 15 11.503 2.692 2.785 1.00 0.00 H new ATOM 193 N GLN A 16 7.408 6.042 1.918 1.00 0.00 N ATOM 194 CA GLN A 16 6.505 7.028 2.479 1.00 0.00 C ATOM 195 C GLN A 16 5.333 7.226 1.528 1.00 0.00 C ATOM 196 O GLN A 16 4.182 7.315 1.948 1.00 0.00 O ATOM 197 CB GLN A 16 7.227 8.360 2.717 1.00 0.00 C ATOM 198 CG GLN A 16 8.005 8.419 4.028 1.00 0.00 C ATOM 199 CD GLN A 16 7.185 7.992 5.232 1.00 0.00 C ATOM 200 OE1 GLN A 16 6.059 8.442 5.424 1.00 0.00 O ATOM 201 NE2 GLN A 16 7.750 7.119 6.054 1.00 0.00 N ATOM 0 H GLN A 16 8.314 6.414 1.633 1.00 0.00 H new ATOM 0 HA GLN A 16 6.141 6.670 3.442 1.00 0.00 H new ATOM 0 HB2 GLN A 16 7.914 8.542 1.890 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.493 9.166 2.705 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.884 7.779 3.950 1.00 0.00 H new ATOM 0 HG3 GLN A 16 8.364 9.436 4.184 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.688 6.769 5.859 1.00 0.00 H new ATOM 0 HE22 GLN A 16 7.247 6.798 6.881 1.00 0.00 H new ATOM 210 N ILE A 17 5.637 7.258 0.230 1.00 0.00 N ATOM 211 CA ILE A 17 4.602 7.414 -0.789 1.00 0.00 C ATOM 212 C ILE A 17 3.621 6.252 -0.744 1.00 0.00 C ATOM 213 O ILE A 17 2.405 6.450 -0.841 1.00 0.00 O ATOM 214 CB ILE A 17 5.209 7.526 -2.204 1.00 0.00 C ATOM 215 CG1 ILE A 17 6.048 8.802 -2.317 1.00 0.00 C ATOM 216 CG2 ILE A 17 4.116 7.505 -3.263 1.00 0.00 C ATOM 217 CD1 ILE A 17 6.226 9.292 -3.736 1.00 0.00 C ATOM 0 H ILE A 17 6.585 7.178 -0.138 1.00 0.00 H new ATOM 0 HA ILE A 17 4.072 8.340 -0.569 1.00 0.00 H new ATOM 0 HB ILE A 17 5.857 6.666 -2.373 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.577 9.589 -1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.030 8.620 -1.880 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.566 7.585 -4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.559 6.571 -3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.439 8.344 -3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.831 10.199 -3.735 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.725 8.524 -4.326 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.250 9.507 -4.172 1.00 0.00 H new ATOM 229 N LEU A 18 4.152 5.043 -0.561 1.00 0.00 N ATOM 230 CA LEU A 18 3.319 3.848 -0.472 1.00 0.00 C ATOM 231 C LEU A 18 2.355 3.931 0.717 1.00 0.00 C ATOM 232 O LEU A 18 1.419 3.140 0.818 1.00 0.00 O ATOM 233 CB LEU A 18 4.192 2.593 -0.356 1.00 0.00 C ATOM 234 CG LEU A 18 5.172 2.368 -1.510 1.00 0.00 C ATOM 235 CD1 LEU A 18 6.323 1.480 -1.066 1.00 0.00 C ATOM 236 CD2 LEU A 18 4.459 1.754 -2.703 1.00 0.00 C ATOM 0 H LEU A 18 5.153 4.867 -0.472 1.00 0.00 H new ATOM 0 HA LEU A 18 2.728 3.785 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.758 2.649 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.540 1.723 -0.280 1.00 0.00 H new ATOM 0 HG LEU A 18 5.577 3.335 -1.810 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.010 1.331 -1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.852 1.956 -0.240 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.934 0.516 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.172 1.601 -3.514 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.026 0.796 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.667 2.424 -3.038 1.00 0.00 H new ATOM 248 N LEU A 19 2.574 4.907 1.602 1.00 0.00 N ATOM 249 CA LEU A 19 1.704 5.098 2.756 1.00 0.00 C ATOM 250 C LEU A 19 1.156 6.529 2.798 1.00 0.00 C ATOM 251 O LEU A 19 0.521 6.926 3.778 1.00 0.00 O ATOM 252 CB LEU A 19 2.439 4.754 4.058 1.00 0.00 C ATOM 253 CG LEU A 19 3.758 5.493 4.284 1.00 0.00 C ATOM 254 CD1 LEU A 19 3.521 6.815 4.996 1.00 0.00 C ATOM 255 CD2 LEU A 19 4.724 4.629 5.077 1.00 0.00 C ATOM 0 H LEU A 19 3.344 5.573 1.539 1.00 0.00 H new ATOM 0 HA LEU A 19 0.858 4.417 2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.775 4.966 4.896 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.636 3.682 4.071 1.00 0.00 H new ATOM 0 HG LEU A 19 4.201 5.704 3.310 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.473 7.323 5.146 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.866 7.442 4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.053 6.629 5.963 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.657 5.171 5.228 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.285 4.386 6.045 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.924 3.709 4.528 1.00 0.00 H new ATOM 267 N GLU A 20 1.401 7.295 1.732 1.00 0.00 N ATOM 268 CA GLU A 20 0.932 8.664 1.639 1.00 0.00 C ATOM 269 C GLU A 20 -0.127 8.800 0.556 1.00 0.00 C ATOM 270 O GLU A 20 -1.246 9.242 0.819 1.00 0.00 O ATOM 271 CB GLU A 20 2.105 9.591 1.344 1.00 0.00 C ATOM 272 CG GLU A 20 2.899 9.961 2.581 1.00 0.00 C ATOM 273 CD GLU A 20 2.965 11.457 2.815 1.00 0.00 C ATOM 274 OE1 GLU A 20 1.950 12.032 3.260 1.00 0.00 O ATOM 275 OE2 GLU A 20 4.031 12.050 2.555 1.00 0.00 O ATOM 0 H GLU A 20 1.928 6.979 0.918 1.00 0.00 H new ATOM 0 HA GLU A 20 0.483 8.943 2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.768 9.110 0.625 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.732 10.501 0.874 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.450 9.482 3.451 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.911 9.568 2.487 1.00 0.00 H new ATOM 282 N GLN A 21 0.223 8.393 -0.663 1.00 0.00 N ATOM 283 CA GLN A 21 -0.719 8.458 -1.775 1.00 0.00 C ATOM 284 C GLN A 21 -1.488 7.151 -1.918 1.00 0.00 C ATOM 285 O GLN A 21 -2.432 7.054 -2.705 1.00 0.00 O ATOM 286 CB GLN A 21 0.000 8.826 -3.078 1.00 0.00 C ATOM 287 CG GLN A 21 0.750 7.668 -3.720 1.00 0.00 C ATOM 288 CD GLN A 21 0.579 7.625 -5.226 1.00 0.00 C ATOM 289 OE1 GLN A 21 -0.519 7.405 -5.732 1.00 0.00 O ATOM 290 NE2 GLN A 21 1.667 7.840 -5.952 1.00 0.00 N ATOM 0 H GLN A 21 1.141 8.019 -0.903 1.00 0.00 H new ATOM 0 HA GLN A 21 -1.443 9.244 -1.560 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -0.732 9.210 -3.789 1.00 0.00 H new ATOM 0 HB3 GLN A 21 0.703 9.634 -2.877 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.810 7.750 -3.481 1.00 0.00 H new ATOM 0 HG3 GLN A 21 0.398 6.730 -3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.560 8.019 -5.492 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.611 7.826 -6.970 1.00 0.00 H new ATOM 299 N ALA A 22 -1.106 6.165 -1.115 1.00 0.00 N ATOM 300 CA ALA A 22 -1.782 4.880 -1.112 1.00 0.00 C ATOM 301 C ALA A 22 -2.902 4.878 -0.071 1.00 0.00 C ATOM 302 O ALA A 22 -3.729 3.974 -0.049 1.00 0.00 O ATOM 303 CB ALA A 22 -0.794 3.754 -0.845 1.00 0.00 C ATOM 0 H ALA A 22 -0.329 6.234 -0.457 1.00 0.00 H new ATOM 0 HA ALA A 22 -2.222 4.715 -2.095 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.321 2.800 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.030 3.748 -1.622 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.323 3.906 0.126 1.00 0.00 H new ATOM 309 N ARG A 23 -2.938 5.909 0.784 1.00 0.00 N ATOM 310 CA ARG A 23 -3.976 6.015 1.808 1.00 0.00 C ATOM 311 C ARG A 23 -5.356 6.062 1.161 1.00 0.00 C ATOM 312 O ARG A 23 -6.164 5.154 1.343 1.00 0.00 O ATOM 313 CB ARG A 23 -3.751 7.257 2.677 1.00 0.00 C ATOM 314 CG ARG A 23 -2.462 7.213 3.482 1.00 0.00 C ATOM 315 CD ARG A 23 -2.440 6.035 4.442 1.00 0.00 C ATOM 316 NE ARG A 23 -1.185 5.974 5.192 1.00 0.00 N ATOM 317 CZ ARG A 23 -1.021 5.323 6.337 1.00 0.00 C ATOM 318 NH1 ARG A 23 -2.008 4.609 6.847 1.00 0.00 N ATOM 319 NH2 ARG A 23 0.141 5.372 6.959 1.00 0.00 N ATOM 0 H ARG A 23 -2.264 6.674 0.784 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.921 5.134 2.447 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.740 8.140 2.038 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.593 7.369 3.361 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.611 7.146 2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -2.351 8.141 4.042 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.276 6.116 5.137 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.577 5.108 3.885 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.379 6.467 4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -2.903 4.555 6.361 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.875 4.111 7.727 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.911 5.909 6.560 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.270 4.873 7.839 1.00 0.00 H new ATOM 333 N ALA A 24 -5.611 7.110 0.382 1.00 0.00 N ATOM 334 CA ALA A 24 -6.890 7.256 -0.311 1.00 0.00 C ATOM 335 C ALA A 24 -7.067 6.197 -1.400 1.00 0.00 C ATOM 336 O ALA A 24 -8.172 5.991 -1.902 1.00 0.00 O ATOM 337 CB ALA A 24 -7.025 8.660 -0.886 1.00 0.00 C ATOM 0 H ALA A 24 -4.951 7.870 0.214 1.00 0.00 H new ATOM 0 HA ALA A 24 -7.685 7.103 0.419 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.982 8.753 -1.399 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.974 9.390 -0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.216 8.843 -1.593 1.00 0.00 H new ATOM 343 N ARG A 25 -5.976 5.521 -1.753 1.00 0.00 N ATOM 344 CA ARG A 25 -6.011 4.482 -2.761 1.00 0.00 C ATOM 345 C ARG A 25 -6.340 3.136 -2.126 1.00 0.00 C ATOM 346 O ARG A 25 -7.173 2.386 -2.629 1.00 0.00 O ATOM 347 CB ARG A 25 -4.664 4.441 -3.475 1.00 0.00 C ATOM 348 CG ARG A 25 -4.735 4.852 -4.935 1.00 0.00 C ATOM 349 CD ARG A 25 -4.407 6.329 -5.110 1.00 0.00 C ATOM 350 NE ARG A 25 -5.446 7.198 -4.536 1.00 0.00 N ATOM 351 CZ ARG A 25 -5.940 8.280 -5.133 1.00 0.00 C ATOM 352 NH1 ARG A 25 -5.489 8.673 -6.308 1.00 0.00 N ATOM 353 NH2 ARG A 25 -6.890 8.979 -4.541 1.00 0.00 N ATOM 0 H ARG A 25 -5.054 5.681 -1.348 1.00 0.00 H new ATOM 0 HA ARG A 25 -6.792 4.699 -3.489 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.967 5.098 -2.955 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.259 3.431 -3.410 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.038 4.251 -5.519 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.733 4.650 -5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.450 6.546 -4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.294 6.552 -6.171 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.813 6.954 -3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.750 8.145 -6.773 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -5.879 9.505 -6.752 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.243 8.689 -3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -7.271 9.809 -4.995 1.00 0.00 H new ATOM 367 N ALA A 26 -5.695 2.851 -1.004 1.00 0.00 N ATOM 368 CA ALA A 26 -5.928 1.617 -0.274 1.00 0.00 C ATOM 369 C ALA A 26 -7.154 1.733 0.626 1.00 0.00 C ATOM 370 O ALA A 26 -7.767 0.725 0.967 1.00 0.00 O ATOM 371 CB ALA A 26 -4.696 1.234 0.536 1.00 0.00 C ATOM 0 H ALA A 26 -5.001 3.465 -0.578 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.122 0.827 -1.000 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.889 0.307 1.076 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.849 1.093 -0.135 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.467 2.027 1.247 1.00 0.00 H new ATOM 377 N ALA A 27 -7.533 2.961 0.999 1.00 0.00 N ATOM 378 CA ALA A 27 -8.704 3.158 1.839 1.00 0.00 C ATOM 379 C ALA A 27 -9.956 2.668 1.126 1.00 0.00 C ATOM 380 O ALA A 27 -10.866 2.122 1.752 1.00 0.00 O ATOM 381 CB ALA A 27 -8.846 4.620 2.246 1.00 0.00 C ATOM 0 H ALA A 27 -7.049 3.818 0.733 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.575 2.572 2.749 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.729 4.739 2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.961 4.930 2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.949 5.238 1.354 1.00 0.00 H new ATOM 387 N ARG A 28 -9.980 2.835 -0.194 1.00 0.00 N ATOM 388 CA ARG A 28 -11.112 2.377 -0.997 1.00 0.00 C ATOM 389 C ARG A 28 -11.012 0.880 -1.283 1.00 0.00 C ATOM 390 O ARG A 28 -11.990 0.240 -1.677 1.00 0.00 O ATOM 391 CB ARG A 28 -11.172 3.145 -2.316 1.00 0.00 C ATOM 392 CG ARG A 28 -9.874 3.093 -3.110 1.00 0.00 C ATOM 393 CD ARG A 28 -10.073 3.602 -4.522 1.00 0.00 C ATOM 394 NE ARG A 28 -10.762 4.892 -4.530 1.00 0.00 N ATOM 395 CZ ARG A 28 -11.496 5.344 -5.538 1.00 0.00 C ATOM 396 NH1 ARG A 28 -11.608 4.646 -6.653 1.00 0.00 N ATOM 397 NH2 ARG A 28 -12.111 6.504 -5.435 1.00 0.00 N ATOM 0 H ARG A 28 -9.234 3.281 -0.728 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.022 2.563 -0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.979 2.739 -2.927 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.421 4.186 -2.110 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.114 3.692 -2.609 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -9.504 2.068 -3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.106 3.701 -5.015 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.650 2.876 -5.095 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.672 5.484 -3.704 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.128 3.751 -6.745 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.175 5.002 -7.423 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.023 7.054 -4.581 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.676 6.852 -6.210 1.00 0.00 H new ATOM 411 N GLU A 29 -9.823 0.332 -1.083 1.00 0.00 N ATOM 412 CA GLU A 29 -9.583 -1.081 -1.324 1.00 0.00 C ATOM 413 C GLU A 29 -9.678 -1.881 -0.035 1.00 0.00 C ATOM 414 O GLU A 29 -10.220 -2.984 -0.023 1.00 0.00 O ATOM 415 CB GLU A 29 -8.216 -1.262 -1.969 1.00 0.00 C ATOM 416 CG GLU A 29 -8.287 -1.378 -3.484 1.00 0.00 C ATOM 417 CD GLU A 29 -7.809 -2.720 -3.998 1.00 0.00 C ATOM 418 OE1 GLU A 29 -8.626 -3.664 -4.035 1.00 0.00 O ATOM 419 OE2 GLU A 29 -6.622 -2.824 -4.365 1.00 0.00 O ATOM 0 H GLU A 29 -9.007 0.847 -0.753 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.351 -1.456 -2.000 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -7.580 -0.417 -1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.744 -2.157 -1.563 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.315 -1.217 -3.807 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.684 -0.588 -3.932 1.00 0.00 H new ATOM 426 N GLN A 30 -9.165 -1.310 1.047 1.00 0.00 N ATOM 427 CA GLN A 30 -9.195 -1.950 2.358 1.00 0.00 C ATOM 428 C GLN A 30 -10.610 -2.394 2.721 1.00 0.00 C ATOM 429 O GLN A 30 -10.803 -3.444 3.333 1.00 0.00 O ATOM 430 CB GLN A 30 -8.655 -0.992 3.418 1.00 0.00 C ATOM 431 CG GLN A 30 -7.216 -1.279 3.814 1.00 0.00 C ATOM 432 CD GLN A 30 -7.016 -1.297 5.313 1.00 0.00 C ATOM 433 OE1 GLN A 30 -6.548 -2.282 5.875 1.00 0.00 O ATOM 434 NE2 GLN A 30 -7.368 -0.204 5.973 1.00 0.00 N ATOM 0 H GLN A 30 -8.718 -0.393 1.042 1.00 0.00 H new ATOM 0 HA GLN A 30 -8.563 -2.837 2.320 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -8.724 0.029 3.043 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -9.286 -1.050 4.305 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -6.914 -2.241 3.400 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -6.565 -0.524 3.374 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -7.754 0.594 5.469 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -7.253 -0.161 6.986 1.00 0.00 H new ATOM 443 N ALA A 31 -11.591 -1.590 2.321 1.00 0.00 N ATOM 444 CA ALA A 31 -12.996 -1.896 2.582 1.00 0.00 C ATOM 445 C ALA A 31 -13.566 -2.805 1.495 1.00 0.00 C ATOM 446 O ALA A 31 -14.433 -3.643 1.756 1.00 0.00 O ATOM 447 CB ALA A 31 -13.805 -0.609 2.688 1.00 0.00 C ATOM 0 H ALA A 31 -11.439 -0.719 1.813 1.00 0.00 H new ATOM 0 HA ALA A 31 -13.062 -2.427 3.532 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.850 -0.851 2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -13.415 -0.001 3.504 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -13.729 -0.054 1.753 1.00 0.00 H new ATOM 453 N THR A 32 -13.055 -2.638 0.281 1.00 0.00 N ATOM 454 CA THR A 32 -13.483 -3.438 -0.863 1.00 0.00 C ATOM 455 C THR A 32 -12.910 -4.847 -0.772 1.00 0.00 C ATOM 456 O THR A 32 -13.647 -5.828 -0.853 1.00 0.00 O ATOM 457 CB THR A 32 -13.047 -2.771 -2.174 1.00 0.00 C ATOM 458 OG1 THR A 32 -13.578 -1.461 -2.271 1.00 0.00 O ATOM 459 CG2 THR A 32 -13.485 -3.527 -3.409 1.00 0.00 C ATOM 0 H THR A 32 -12.336 -1.949 0.061 1.00 0.00 H new ATOM 0 HA THR A 32 -14.571 -3.504 -0.850 1.00 0.00 H new ATOM 0 HB THR A 32 -11.958 -2.760 -2.139 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.860 -0.833 -2.493 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.143 -2.999 -4.299 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.056 -4.529 -3.394 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.573 -3.599 -3.425 1.00 0.00 H new ATOM 467 N THR A 33 -11.594 -4.941 -0.583 1.00 0.00 N ATOM 468 CA THR A 33 -10.928 -6.239 -0.463 1.00 0.00 C ATOM 469 C THR A 33 -11.483 -7.019 0.723 1.00 0.00 C ATOM 470 O THR A 33 -11.752 -8.212 0.611 1.00 0.00 O ATOM 471 CB THR A 33 -9.409 -6.074 -0.333 1.00 0.00 C ATOM 472 OG1 THR A 33 -8.762 -7.324 -0.491 1.00 0.00 O ATOM 473 CG2 THR A 33 -8.959 -5.500 0.993 1.00 0.00 C ATOM 0 H THR A 33 -10.970 -4.138 -0.510 1.00 0.00 H new ATOM 0 HA THR A 33 -11.128 -6.802 -1.374 1.00 0.00 H new ATOM 0 HB THR A 33 -9.136 -5.369 -1.118 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.793 -7.204 -0.407 1.00 0.00 H new ATOM 0 HG21 THR A 33 -7.872 -5.416 1.003 1.00 0.00 H new ATOM 0 HG22 THR A 33 -9.401 -4.513 1.131 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.279 -6.157 1.801 1.00 0.00 H new ATOM 481 N ASN A 34 -11.690 -6.333 1.850 1.00 0.00 N ATOM 482 CA ASN A 34 -12.246 -6.964 3.037 1.00 0.00 C ATOM 483 C ASN A 34 -13.554 -7.664 2.677 1.00 0.00 C ATOM 484 O ASN A 34 -13.720 -8.862 2.918 1.00 0.00 O ATOM 485 CB ASN A 34 -12.478 -5.912 4.120 1.00 0.00 C ATOM 486 CG ASN A 34 -11.841 -6.282 5.443 1.00 0.00 C ATOM 487 OD1 ASN A 34 -12.274 -7.212 6.116 1.00 0.00 O ATOM 488 ND2 ASN A 34 -10.802 -5.551 5.822 1.00 0.00 N ATOM 0 H ASN A 34 -11.479 -5.341 1.960 1.00 0.00 H new ATOM 0 HA ASN A 34 -11.546 -7.706 3.420 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -12.077 -4.956 3.783 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -13.550 -5.775 4.264 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.330 -5.753 6.704 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.474 -4.786 5.232 1.00 0.00 H new ATOM 495 N ALA A 35 -14.465 -6.911 2.058 1.00 0.00 N ATOM 496 CA ALA A 35 -15.737 -7.464 1.623 1.00 0.00 C ATOM 497 C ALA A 35 -15.514 -8.529 0.564 1.00 0.00 C ATOM 498 O ALA A 35 -16.136 -9.581 0.602 1.00 0.00 O ATOM 499 CB ALA A 35 -16.658 -6.363 1.113 1.00 0.00 C ATOM 0 H ALA A 35 -14.341 -5.920 1.850 1.00 0.00 H new ATOM 0 HA ALA A 35 -16.224 -7.933 2.478 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -17.604 -6.799 0.793 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -16.842 -5.644 1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -16.188 -5.857 0.270 1.00 0.00 H new ATOM 505 N ARG A 36 -14.603 -8.264 -0.361 1.00 0.00 N ATOM 506 CA ARG A 36 -14.275 -9.217 -1.405 1.00 0.00 C ATOM 507 C ARG A 36 -13.737 -10.512 -0.796 1.00 0.00 C ATOM 508 O ARG A 36 -13.994 -11.601 -1.289 1.00 0.00 O ATOM 509 CB ARG A 36 -13.242 -8.596 -2.328 1.00 0.00 C ATOM 510 CG ARG A 36 -13.827 -7.589 -3.306 1.00 0.00 C ATOM 511 CD ARG A 36 -14.832 -8.227 -4.258 1.00 0.00 C ATOM 512 NE ARG A 36 -16.057 -7.423 -4.370 1.00 0.00 N ATOM 513 CZ ARG A 36 -17.225 -7.888 -4.808 1.00 0.00 C ATOM 514 NH1 ARG A 36 -17.341 -9.129 -5.226 1.00 0.00 N ATOM 515 NH2 ARG A 36 -18.278 -7.098 -4.839 1.00 0.00 N ATOM 0 H ARG A 36 -14.077 -7.391 -0.407 1.00 0.00 H new ATOM 0 HA ARG A 36 -15.173 -9.461 -1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.478 -8.104 -1.726 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.745 -9.388 -2.888 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -14.314 -6.787 -2.751 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -13.021 -7.135 -3.882 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -14.379 -8.341 -5.243 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -15.084 -9.227 -3.905 1.00 0.00 H new ATOM 0 HE ARG A 36 -16.009 -6.442 -4.093 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -16.530 -9.748 -5.217 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -18.242 -9.473 -5.559 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -18.199 -6.130 -4.527 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -19.173 -7.454 -5.175 1.00 0.00 H new ATOM 529 N ILE A 37 -12.993 -10.382 0.287 1.00 0.00 N ATOM 530 CA ILE A 37 -12.438 -11.548 0.970 1.00 0.00 C ATOM 531 C ILE A 37 -13.556 -12.411 1.560 1.00 0.00 C ATOM 532 O ILE A 37 -13.516 -13.639 1.470 1.00 0.00 O ATOM 533 CB ILE A 37 -11.452 -11.129 2.086 1.00 0.00 C ATOM 534 CG1 ILE A 37 -10.196 -10.505 1.473 1.00 0.00 C ATOM 535 CG2 ILE A 37 -11.087 -12.318 2.968 1.00 0.00 C ATOM 536 CD1 ILE A 37 -9.192 -11.520 0.969 1.00 0.00 C ATOM 0 H ILE A 37 -12.757 -9.487 0.715 1.00 0.00 H new ATOM 0 HA ILE A 37 -11.891 -12.132 0.230 1.00 0.00 H new ATOM 0 HB ILE A 37 -11.941 -10.385 2.715 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -10.490 -9.857 0.647 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.715 -9.872 2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.393 -11.996 3.744 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.989 -12.718 3.431 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -10.618 -13.092 2.360 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.330 -11.002 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.868 -12.152 1.795 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -9.654 -12.138 0.199 1.00 0.00 H new ATOM 548 N LEU A 38 -14.560 -11.758 2.148 1.00 0.00 N ATOM 549 CA LEU A 38 -15.702 -12.465 2.735 1.00 0.00 C ATOM 550 C LEU A 38 -16.840 -12.652 1.715 1.00 0.00 C ATOM 551 O LEU A 38 -17.791 -13.391 1.969 1.00 0.00 O ATOM 552 CB LEU A 38 -16.214 -11.717 3.972 1.00 0.00 C ATOM 553 CG LEU A 38 -16.972 -10.415 3.691 1.00 0.00 C ATOM 554 CD1 LEU A 38 -18.464 -10.612 3.901 1.00 0.00 C ATOM 555 CD2 LEU A 38 -16.455 -9.296 4.581 1.00 0.00 C ATOM 0 H LEU A 38 -14.606 -10.742 2.231 1.00 0.00 H new ATOM 0 HA LEU A 38 -15.359 -13.455 3.034 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -16.869 -12.384 4.533 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -15.364 -11.490 4.615 1.00 0.00 H new ATOM 0 HG LEU A 38 -16.803 -10.136 2.651 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -18.987 -9.677 3.697 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -18.827 -11.386 3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -18.650 -10.914 4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -17.004 -8.379 4.368 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -16.595 -9.569 5.627 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -15.394 -9.137 4.387 1.00 0.00 H new ATOM 567 N ALA A 39 -16.735 -11.982 0.562 1.00 0.00 N ATOM 568 CA ALA A 39 -17.737 -12.067 -0.493 1.00 0.00 C ATOM 569 C ALA A 39 -17.097 -11.765 -1.852 1.00 0.00 C ATOM 570 O ALA A 39 -17.472 -10.816 -2.542 1.00 0.00 O ATOM 571 CB ALA A 39 -18.893 -11.117 -0.202 1.00 0.00 C ATOM 0 H ALA A 39 -15.952 -11.368 0.339 1.00 0.00 H new ATOM 0 HA ALA A 39 -18.137 -13.080 -0.525 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -19.634 -11.191 -0.998 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -19.354 -11.385 0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.519 -10.095 -0.148 1.00 0.00 H new ATOM 577 N ARG A 40 -16.095 -12.572 -2.196 1.00 0.00 N ATOM 578 CA ARG A 40 -15.332 -12.418 -3.444 1.00 0.00 C ATOM 579 C ARG A 40 -16.216 -12.075 -4.637 1.00 0.00 C ATOM 580 O ARG A 40 -15.927 -11.129 -5.377 1.00 0.00 O ATOM 581 CB ARG A 40 -14.517 -13.688 -3.713 1.00 0.00 C ATOM 582 CG ARG A 40 -13.812 -13.702 -5.065 1.00 0.00 C ATOM 583 CD ARG A 40 -12.299 -13.642 -4.916 1.00 0.00 C ATOM 584 NE ARG A 40 -11.639 -14.795 -5.544 1.00 0.00 N ATOM 585 CZ ARG A 40 -10.423 -14.769 -6.079 1.00 0.00 C ATOM 586 NH1 ARG A 40 -9.707 -13.659 -6.066 1.00 0.00 N ATOM 587 NH2 ARG A 40 -9.922 -15.859 -6.624 1.00 0.00 N ATOM 0 H ARG A 40 -15.785 -13.354 -1.619 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.656 -11.573 -3.313 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -13.772 -13.802 -2.926 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.179 -14.551 -3.652 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.088 -14.605 -5.609 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -14.152 -12.855 -5.661 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.926 -12.722 -5.366 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.040 -13.608 -3.858 1.00 0.00 H new ATOM 0 HE ARG A 40 -12.150 -15.677 -5.571 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.087 -12.812 -5.643 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.774 -13.649 -6.479 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.467 -16.721 -6.635 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.989 -15.841 -7.035 1.00 0.00 H new