USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 274 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 1 THR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 3 SER OG : rot 180:sc= 0.0662 USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot -19:sc= 0.144 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.317 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -3.83 K(o=-3.8,f=-5.9!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -27.249 26.586 3.389 1.00 0.00 N ATOM 2 CA THR A 1 -26.196 25.721 3.893 1.00 0.00 C ATOM 3 C THR A 1 -26.776 24.678 4.851 1.00 0.00 C ATOM 4 O THR A 1 -26.597 23.477 4.649 1.00 0.00 O ATOM 5 CB THR A 1 -25.124 26.604 4.533 1.00 0.00 C ATOM 6 OG1 THR A 1 -24.461 27.204 3.424 1.00 0.00 O ATOM 7 CG2 THR A 1 -24.030 25.789 5.226 1.00 0.00 C ATOM 0 H1 THR A 1 -26.840 27.289 2.740 1.00 0.00 H new ATOM 0 H2 THR A 1 -27.954 26.015 2.881 1.00 0.00 H new ATOM 0 H3 THR A 1 -27.707 27.075 4.184 1.00 0.00 H new ATOM 0 HA THR A 1 -25.731 25.153 3.087 1.00 0.00 H new ATOM 0 HB THR A 1 -25.590 27.273 5.256 1.00 0.00 H new ATOM 0 HG1 THR A 1 -23.750 27.795 3.749 1.00 0.00 H new ATOM 0 HG21 THR A 1 -23.295 26.465 5.663 1.00 0.00 H new ATOM 0 HG22 THR A 1 -24.474 25.178 6.012 1.00 0.00 H new ATOM 0 HG23 THR A 1 -23.541 25.143 4.497 1.00 0.00 H new ATOM 15 N SER A 2 -27.457 25.174 5.873 1.00 0.00 N ATOM 16 CA SER A 2 -28.064 24.300 6.863 1.00 0.00 C ATOM 17 C SER A 2 -29.457 23.870 6.398 1.00 0.00 C ATOM 18 O SER A 2 -30.030 22.923 6.935 1.00 0.00 O ATOM 19 CB SER A 2 -28.149 24.988 8.227 1.00 0.00 C ATOM 20 OG SER A 2 -28.673 24.122 9.230 1.00 0.00 O ATOM 0 H SER A 2 -27.602 26.170 6.037 1.00 0.00 H new ATOM 0 HA SER A 2 -27.435 23.416 6.970 1.00 0.00 H new ATOM 0 HB2 SER A 2 -27.157 25.328 8.524 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.779 25.874 8.148 1.00 0.00 H new ATOM 0 HG SER A 2 -29.155 23.383 8.804 1.00 0.00 H new ATOM 26 N SER A 3 -29.961 24.586 5.404 1.00 0.00 N ATOM 27 CA SER A 3 -31.276 24.290 4.860 1.00 0.00 C ATOM 28 C SER A 3 -31.157 23.263 3.733 1.00 0.00 C ATOM 29 O SER A 3 -31.807 23.395 2.697 1.00 0.00 O ATOM 30 CB SER A 3 -31.960 25.561 4.351 1.00 0.00 C ATOM 31 OG SER A 3 -31.022 26.598 4.077 1.00 0.00 O ATOM 0 H SER A 3 -29.483 25.370 4.961 1.00 0.00 H new ATOM 0 HA SER A 3 -31.891 23.874 5.658 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.523 25.332 3.446 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.678 25.909 5.094 1.00 0.00 H new ATOM 0 HG SER A 3 -31.497 27.392 3.753 1.00 0.00 H new ATOM 37 N ILE A 4 -30.322 22.263 3.972 1.00 0.00 N ATOM 38 CA ILE A 4 -30.110 21.213 2.990 1.00 0.00 C ATOM 39 C ILE A 4 -29.885 19.883 3.711 1.00 0.00 C ATOM 40 O ILE A 4 -30.645 18.934 3.524 1.00 0.00 O ATOM 41 CB ILE A 4 -28.977 21.595 2.035 1.00 0.00 C ATOM 42 CG1 ILE A 4 -29.308 22.884 1.280 1.00 0.00 C ATOM 43 CG2 ILE A 4 -28.650 20.441 1.084 1.00 0.00 C ATOM 44 CD1 ILE A 4 -30.490 22.676 0.331 1.00 0.00 C ATOM 0 H ILE A 4 -29.784 22.157 4.832 1.00 0.00 H new ATOM 0 HA ILE A 4 -30.995 21.091 2.366 1.00 0.00 H new ATOM 0 HB ILE A 4 -28.082 21.789 2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -29.543 23.676 1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -28.436 23.212 0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -27.842 20.738 0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -28.341 19.570 1.662 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -29.534 20.192 0.496 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -30.704 23.608 -0.193 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -30.242 21.901 -0.394 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -31.367 22.372 0.903 1.00 0.00 H new ATOM 56 N VAL A 5 -28.837 19.856 4.522 1.00 0.00 N ATOM 57 CA VAL A 5 -28.502 18.658 5.272 1.00 0.00 C ATOM 58 C VAL A 5 -29.781 18.048 5.849 1.00 0.00 C ATOM 59 O VAL A 5 -30.103 16.894 5.570 1.00 0.00 O ATOM 60 CB VAL A 5 -27.460 18.986 6.344 1.00 0.00 C ATOM 61 CG1 VAL A 5 -27.231 17.790 7.270 1.00 0.00 C ATOM 62 CG2 VAL A 5 -26.147 19.448 5.709 1.00 0.00 C ATOM 0 H VAL A 5 -28.209 20.645 4.676 1.00 0.00 H new ATOM 0 HA VAL A 5 -28.052 17.911 4.618 1.00 0.00 H new ATOM 0 HB VAL A 5 -27.847 19.807 6.947 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -26.486 18.050 8.022 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -28.167 17.526 7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -26.876 16.941 6.686 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -25.424 19.675 6.492 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -25.754 18.657 5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -26.327 20.342 5.111 1.00 0.00 H new ATOM 72 N HIS A 6 -30.475 18.850 6.643 1.00 0.00 N ATOM 73 CA HIS A 6 -31.712 18.404 7.261 1.00 0.00 C ATOM 74 C HIS A 6 -32.565 17.666 6.227 1.00 0.00 C ATOM 75 O HIS A 6 -33.194 16.656 6.542 1.00 0.00 O ATOM 76 CB HIS A 6 -32.449 19.577 7.910 1.00 0.00 C ATOM 77 CG HIS A 6 -33.529 19.162 8.881 1.00 0.00 C ATOM 78 ND1 HIS A 6 -33.267 18.834 10.199 1.00 0.00 N ATOM 79 CD2 HIS A 6 -34.876 19.026 8.711 1.00 0.00 C ATOM 80 CE1 HIS A 6 -34.411 18.516 10.787 1.00 0.00 C ATOM 81 NE2 HIS A 6 -35.407 18.635 9.863 1.00 0.00 N ATOM 0 H HIS A 6 -30.204 19.806 6.873 1.00 0.00 H new ATOM 0 HA HIS A 6 -31.489 17.702 8.064 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -31.726 20.203 8.433 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -32.895 20.191 7.127 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -35.418 19.206 7.794 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -34.533 18.215 11.817 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -36.397 18.453 10.030 1.00 0.00 H new ATOM 90 N LEU A 7 -32.561 18.199 5.014 1.00 0.00 N ATOM 91 CA LEU A 7 -33.327 17.604 3.932 1.00 0.00 C ATOM 92 C LEU A 7 -32.629 16.327 3.462 1.00 0.00 C ATOM 93 O LEU A 7 -33.284 15.323 3.184 1.00 0.00 O ATOM 94 CB LEU A 7 -33.559 18.625 2.816 1.00 0.00 C ATOM 95 CG LEU A 7 -35.013 18.827 2.384 1.00 0.00 C ATOM 96 CD1 LEU A 7 -35.573 17.560 1.734 1.00 0.00 C ATOM 97 CD2 LEU A 7 -35.874 19.297 3.559 1.00 0.00 C ATOM 0 H LEU A 7 -32.039 19.037 4.756 1.00 0.00 H new ATOM 0 HA LEU A 7 -34.319 17.316 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -33.160 19.586 3.141 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -32.981 18.319 1.944 1.00 0.00 H new ATOM 0 HG LEU A 7 -35.039 19.614 1.630 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -36.608 17.731 1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -34.979 17.309 0.855 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -35.532 16.737 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -36.903 19.433 3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -35.846 18.550 4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -35.488 20.243 3.938 1.00 0.00 H new ATOM 109 N CYS A 8 -31.308 16.405 3.387 1.00 0.00 N ATOM 110 CA CYS A 8 -30.514 15.267 2.954 1.00 0.00 C ATOM 111 C CYS A 8 -30.680 14.148 3.984 1.00 0.00 C ATOM 112 O CYS A 8 -30.586 12.969 3.644 1.00 0.00 O ATOM 113 CB CYS A 8 -29.046 15.646 2.754 1.00 0.00 C ATOM 114 SG CYS A 8 -28.842 16.551 1.176 1.00 0.00 S ATOM 0 H CYS A 8 -30.768 17.239 3.619 1.00 0.00 H new ATOM 0 HA CYS A 8 -30.867 14.921 1.982 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -28.705 16.265 3.584 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -28.427 14.749 2.751 1.00 0.00 H new ATOM 0 HG CYS A 8 -27.592 16.870 1.017 1.00 0.00 H new ATOM 120 N ALA A 9 -30.923 14.555 5.221 1.00 0.00 N ATOM 121 CA ALA A 9 -31.102 13.601 6.302 1.00 0.00 C ATOM 122 C ALA A 9 -32.179 12.587 5.908 1.00 0.00 C ATOM 123 O ALA A 9 -32.108 11.421 6.293 1.00 0.00 O ATOM 124 CB ALA A 9 -31.449 14.349 7.591 1.00 0.00 C ATOM 0 H ALA A 9 -31.000 15.533 5.499 1.00 0.00 H new ATOM 0 HA ALA A 9 -30.180 13.049 6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -31.583 13.633 8.402 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -30.640 15.035 7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -32.371 14.912 7.448 1.00 0.00 H new ATOM 130 N ILE A 10 -33.150 13.069 5.146 1.00 0.00 N ATOM 131 CA ILE A 10 -34.239 12.220 4.696 1.00 0.00 C ATOM 132 C ILE A 10 -33.797 11.446 3.452 1.00 0.00 C ATOM 133 O ILE A 10 -33.832 10.216 3.436 1.00 0.00 O ATOM 134 CB ILE A 10 -35.511 13.045 4.487 1.00 0.00 C ATOM 135 CG1 ILE A 10 -36.037 13.587 5.817 1.00 0.00 C ATOM 136 CG2 ILE A 10 -36.572 12.236 3.737 1.00 0.00 C ATOM 137 CD1 ILE A 10 -35.421 14.951 6.135 1.00 0.00 C ATOM 0 H ILE A 10 -33.205 14.037 4.829 1.00 0.00 H new ATOM 0 HA ILE A 10 -34.487 11.482 5.459 1.00 0.00 H new ATOM 0 HB ILE A 10 -35.263 13.905 3.865 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -37.123 13.675 5.774 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -35.806 12.884 6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -37.466 12.845 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -36.183 11.941 2.763 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -36.824 11.345 4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -35.812 15.314 7.086 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -34.337 14.854 6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -35.675 15.658 5.345 1.00 0.00 H new ATOM 149 N SER A 11 -33.390 12.198 2.440 1.00 0.00 N ATOM 150 CA SER A 11 -32.941 11.598 1.195 1.00 0.00 C ATOM 151 C SER A 11 -31.548 10.992 1.378 1.00 0.00 C ATOM 152 O SER A 11 -30.585 11.443 0.760 1.00 0.00 O ATOM 153 CB SER A 11 -32.928 12.626 0.062 1.00 0.00 C ATOM 154 OG SER A 11 -32.384 13.875 0.480 1.00 0.00 O ATOM 0 H SER A 11 -33.362 13.217 2.457 1.00 0.00 H new ATOM 0 HA SER A 11 -33.641 10.808 0.924 1.00 0.00 H new ATOM 0 HB2 SER A 11 -32.345 12.238 -0.773 1.00 0.00 H new ATOM 0 HB3 SER A 11 -33.944 12.777 -0.302 1.00 0.00 H new ATOM 0 HG SER A 11 -32.392 14.503 -0.272 1.00 0.00 H new ATOM 160 N LEU A 12 -31.486 9.980 2.231 1.00 0.00 N ATOM 161 CA LEU A 12 -30.227 9.308 2.504 1.00 0.00 C ATOM 162 C LEU A 12 -30.484 8.098 3.403 1.00 0.00 C ATOM 163 O LEU A 12 -30.148 6.970 3.044 1.00 0.00 O ATOM 164 CB LEU A 12 -29.206 10.294 3.076 1.00 0.00 C ATOM 165 CG LEU A 12 -27.990 9.674 3.768 1.00 0.00 C ATOM 166 CD1 LEU A 12 -26.743 9.786 2.888 1.00 0.00 C ATOM 167 CD2 LEU A 12 -27.772 10.290 5.151 1.00 0.00 C ATOM 0 H LEU A 12 -32.287 9.609 2.742 1.00 0.00 H new ATOM 0 HA LEU A 12 -29.788 8.931 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -28.852 10.931 2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -29.716 10.940 3.791 1.00 0.00 H new ATOM 0 HG LEU A 12 -28.186 8.612 3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -25.893 9.338 3.403 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -26.914 9.263 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -26.533 10.836 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -26.902 9.831 5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -27.607 11.363 5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -28.652 10.116 5.770 1.00 0.00 H new ATOM 179 N ASP A 13 -31.079 8.372 4.555 1.00 0.00 N ATOM 180 CA ASP A 13 -31.385 7.320 5.509 1.00 0.00 C ATOM 181 C ASP A 13 -32.040 6.147 4.775 1.00 0.00 C ATOM 182 O ASP A 13 -31.598 5.006 4.902 1.00 0.00 O ATOM 183 CB ASP A 13 -32.361 7.813 6.579 1.00 0.00 C ATOM 184 CG ASP A 13 -32.069 7.321 7.997 1.00 0.00 C ATOM 185 OD1 ASP A 13 -31.192 6.438 8.123 1.00 0.00 O ATOM 186 OD2 ASP A 13 -32.729 7.838 8.925 1.00 0.00 O ATOM 0 H ASP A 13 -31.357 9.308 4.849 1.00 0.00 H new ATOM 0 HA ASP A 13 -30.453 7.015 5.985 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -32.355 8.903 6.580 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -33.368 7.500 6.302 1.00 0.00 H new ATOM 191 N ARG A 14 -33.083 6.469 4.024 1.00 0.00 N ATOM 192 CA ARG A 14 -33.803 5.457 3.270 1.00 0.00 C ATOM 193 C ARG A 14 -32.825 4.439 2.680 1.00 0.00 C ATOM 194 O ARG A 14 -33.097 3.240 2.681 1.00 0.00 O ATOM 195 CB ARG A 14 -34.616 6.088 2.138 1.00 0.00 C ATOM 196 CG ARG A 14 -35.904 5.302 1.884 1.00 0.00 C ATOM 197 CD ARG A 14 -37.061 6.242 1.538 1.00 0.00 C ATOM 198 NE ARG A 14 -37.731 6.696 2.777 1.00 0.00 N ATOM 199 CZ ARG A 14 -38.948 7.255 2.811 1.00 0.00 C ATOM 200 NH1 ARG A 14 -39.636 7.432 1.676 1.00 0.00 N ATOM 201 NH2 ARG A 14 -39.477 7.638 3.982 1.00 0.00 N ATOM 0 H ARG A 14 -33.447 7.416 3.922 1.00 0.00 H new ATOM 0 HA ARG A 14 -34.485 4.955 3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -34.859 7.120 2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -34.017 6.116 1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -35.748 4.596 1.069 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -36.158 4.717 2.768 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -36.688 7.101 0.980 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -37.776 5.730 0.894 1.00 0.00 H new ATOM 0 HE ARG A 14 -37.235 6.576 3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -39.234 7.141 0.785 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -40.563 7.858 1.702 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -38.953 7.504 4.847 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -40.404 8.064 4.008 1.00 0.00 H new ATOM 215 N TYR A 15 -31.707 4.955 2.190 1.00 0.00 N ATOM 216 CA TYR A 15 -30.688 4.106 1.598 1.00 0.00 C ATOM 217 C TYR A 15 -29.676 3.648 2.651 1.00 0.00 C ATOM 218 O TYR A 15 -28.468 3.726 2.432 1.00 0.00 O ATOM 219 CB TYR A 15 -29.969 4.970 0.560 1.00 0.00 C ATOM 220 CG TYR A 15 -30.904 5.623 -0.460 1.00 0.00 C ATOM 221 CD1 TYR A 15 -31.303 4.920 -1.579 1.00 0.00 C ATOM 222 CD2 TYR A 15 -31.347 6.915 -0.263 1.00 0.00 C ATOM 223 CE1 TYR A 15 -32.183 5.534 -2.540 1.00 0.00 C ATOM 224 CE2 TYR A 15 -32.227 7.529 -1.223 1.00 0.00 C ATOM 225 CZ TYR A 15 -32.601 6.808 -2.314 1.00 0.00 C ATOM 226 OH TYR A 15 -33.432 7.388 -3.222 1.00 0.00 O ATOM 0 H TYR A 15 -31.485 5.951 2.191 1.00 0.00 H new ATOM 0 HA TYR A 15 -31.138 3.215 1.161 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -29.409 5.750 1.076 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -29.243 4.354 0.030 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -30.955 3.909 -1.734 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -31.034 7.466 0.612 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -32.503 4.995 -3.419 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -32.582 8.539 -1.080 1.00 0.00 H new ATOM 0 HH TYR A 15 -33.650 8.298 -2.931 1.00 0.00 H new ATOM 236 N TRP A 16 -30.207 3.181 3.771 1.00 0.00 N ATOM 237 CA TRP A 16 -29.366 2.710 4.859 1.00 0.00 C ATOM 238 C TRP A 16 -29.680 1.231 5.093 1.00 0.00 C ATOM 239 O TRP A 16 -28.833 0.369 4.863 1.00 0.00 O ATOM 240 CB TRP A 16 -29.558 3.568 6.111 1.00 0.00 C ATOM 241 CG TRP A 16 -28.817 3.045 7.343 1.00 0.00 C ATOM 242 CD1 TRP A 16 -29.322 2.763 8.552 1.00 0.00 C ATOM 243 CD2 TRP A 16 -27.407 2.752 7.438 1.00 0.00 C ATOM 244 NE1 TRP A 16 -28.344 2.311 9.415 1.00 0.00 N ATOM 245 CE2 TRP A 16 -27.143 2.304 8.716 1.00 0.00 C ATOM 246 CE3 TRP A 16 -26.388 2.861 6.475 1.00 0.00 C ATOM 247 CZ2 TRP A 16 -25.865 1.930 9.149 1.00 0.00 C ATOM 248 CZ3 TRP A 16 -25.117 2.483 6.923 1.00 0.00 C ATOM 249 CH2 TRP A 16 -24.835 2.031 8.207 1.00 0.00 C ATOM 0 H TRP A 16 -31.209 3.118 3.949 1.00 0.00 H new ATOM 0 HA TRP A 16 -28.311 2.805 4.601 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -29.219 4.582 5.899 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -30.622 3.628 6.338 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -30.363 2.875 8.818 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -28.478 2.033 10.387 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -26.572 3.209 5.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -25.684 1.582 10.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -24.298 2.547 6.222 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -23.825 1.759 8.476 1.00 0.00 H new ATOM 260 N SER A 17 -30.899 0.983 5.549 1.00 0.00 N ATOM 261 CA SER A 17 -31.334 -0.377 5.817 1.00 0.00 C ATOM 262 C SER A 17 -30.892 -1.302 4.682 1.00 0.00 C ATOM 263 O SER A 17 -30.106 -2.224 4.898 1.00 0.00 O ATOM 264 CB SER A 17 -32.853 -0.444 5.995 1.00 0.00 C ATOM 265 OG SER A 17 -33.311 -1.782 6.172 1.00 0.00 O ATOM 0 H SER A 17 -31.599 1.700 5.740 1.00 0.00 H new ATOM 0 HA SER A 17 -30.871 -0.707 6.747 1.00 0.00 H new ATOM 0 HB2 SER A 17 -33.144 0.156 6.857 1.00 0.00 H new ATOM 0 HB3 SER A 17 -33.340 -0.006 5.123 1.00 0.00 H new ATOM 0 HG SER A 17 -34.285 -1.782 6.284 1.00 0.00 H new ATOM 271 N ILE A 18 -31.415 -1.024 3.497 1.00 0.00 N ATOM 272 CA ILE A 18 -31.084 -1.820 2.327 1.00 0.00 C ATOM 273 C ILE A 18 -29.590 -2.153 2.349 1.00 0.00 C ATOM 274 O ILE A 18 -29.211 -3.323 2.331 1.00 0.00 O ATOM 275 CB ILE A 18 -31.537 -1.110 1.050 1.00 0.00 C ATOM 276 CG1 ILE A 18 -33.057 -0.935 1.030 1.00 0.00 C ATOM 277 CG2 ILE A 18 -31.028 -1.841 -0.194 1.00 0.00 C ATOM 278 CD1 ILE A 18 -33.439 0.545 1.107 1.00 0.00 C ATOM 0 H ILE A 18 -32.066 -0.258 3.322 1.00 0.00 H new ATOM 0 HA ILE A 18 -31.623 -2.767 2.345 1.00 0.00 H new ATOM 0 HB ILE A 18 -31.098 -0.113 1.040 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -33.465 -1.373 0.119 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -33.500 -1.473 1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -31.364 -1.316 -1.088 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -29.939 -1.870 -0.178 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -31.418 -2.859 -0.203 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -34.525 0.642 1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -33.050 0.974 2.031 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -33.015 1.075 0.254 1.00 0.00 H new ATOM 290 N THR A 19 -28.783 -1.103 2.387 1.00 0.00 N ATOM 291 CA THR A 19 -27.340 -1.270 2.411 1.00 0.00 C ATOM 292 C THR A 19 -26.934 -2.248 3.515 1.00 0.00 C ATOM 293 O THR A 19 -26.317 -3.277 3.242 1.00 0.00 O ATOM 294 CB THR A 19 -26.707 0.115 2.564 1.00 0.00 C ATOM 295 OG1 THR A 19 -26.935 0.742 1.304 1.00 0.00 O ATOM 296 CG2 THR A 19 -25.182 0.052 2.678 1.00 0.00 C ATOM 0 H THR A 19 -29.101 -0.134 2.402 1.00 0.00 H new ATOM 0 HA THR A 19 -26.977 -1.709 1.482 1.00 0.00 H new ATOM 0 HB THR A 19 -27.117 0.606 3.446 1.00 0.00 H new ATOM 0 HG1 THR A 19 -26.558 1.646 1.316 1.00 0.00 H new ATOM 0 HG21 THR A 19 -24.783 1.061 2.785 1.00 0.00 H new ATOM 0 HG22 THR A 19 -24.907 -0.541 3.550 1.00 0.00 H new ATOM 0 HG23 THR A 19 -24.769 -0.409 1.781 1.00 0.00 H new ATOM 304 N GLN A 20 -27.298 -1.894 4.739 1.00 0.00 N ATOM 305 CA GLN A 20 -26.979 -2.728 5.885 1.00 0.00 C ATOM 306 C GLN A 20 -27.159 -4.206 5.532 1.00 0.00 C ATOM 307 O GLN A 20 -26.228 -4.998 5.671 1.00 0.00 O ATOM 308 CB GLN A 20 -27.833 -2.346 7.095 1.00 0.00 C ATOM 309 CG GLN A 20 -26.985 -1.669 8.174 1.00 0.00 C ATOM 310 CD GLN A 20 -27.829 -0.708 9.013 1.00 0.00 C ATOM 311 OE1 GLN A 20 -28.867 -0.224 8.593 1.00 0.00 O ATOM 312 NE2 GLN A 20 -27.327 -0.459 10.219 1.00 0.00 N ATOM 0 H GLN A 20 -27.811 -1.041 4.962 1.00 0.00 H new ATOM 0 HA GLN A 20 -25.935 -2.562 6.151 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -28.633 -1.675 6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -28.307 -3.237 7.506 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -26.540 -2.426 8.820 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -26.164 -1.125 7.708 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -26.453 -0.898 10.508 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -27.816 0.171 10.855 1.00 0.00 H new ATOM 321 N ALA A 21 -28.362 -4.532 5.083 1.00 0.00 N ATOM 322 CA ALA A 21 -28.675 -5.901 4.709 1.00 0.00 C ATOM 323 C ALA A 21 -27.519 -6.479 3.890 1.00 0.00 C ATOM 324 O ALA A 21 -27.006 -7.551 4.205 1.00 0.00 O ATOM 325 CB ALA A 21 -30.002 -5.931 3.948 1.00 0.00 C ATOM 0 H ALA A 21 -29.131 -3.872 4.970 1.00 0.00 H new ATOM 0 HA ALA A 21 -28.793 -6.524 5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -30.237 -6.958 3.667 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -30.795 -5.538 4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -29.920 -5.319 3.050 1.00 0.00 H new ATOM 331 N ILE A 22 -27.144 -5.743 2.854 1.00 0.00 N ATOM 332 CA ILE A 22 -26.058 -6.168 1.988 1.00 0.00 C ATOM 333 C ILE A 22 -24.764 -6.247 2.800 1.00 0.00 C ATOM 334 O ILE A 22 -24.127 -7.297 2.858 1.00 0.00 O ATOM 335 CB ILE A 22 -25.961 -5.257 0.763 1.00 0.00 C ATOM 336 CG1 ILE A 22 -27.187 -5.417 -0.138 1.00 0.00 C ATOM 337 CG2 ILE A 22 -24.656 -5.497 0.002 1.00 0.00 C ATOM 338 CD1 ILE A 22 -27.627 -4.068 -0.711 1.00 0.00 C ATOM 0 H ILE A 22 -27.573 -4.855 2.595 1.00 0.00 H new ATOM 0 HA ILE A 22 -26.251 -7.167 1.598 1.00 0.00 H new ATOM 0 HB ILE A 22 -25.947 -4.223 1.108 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -26.957 -6.104 -0.952 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -28.005 -5.859 0.431 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -24.613 -4.836 -0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -23.810 -5.292 0.657 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -24.614 -6.534 -0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -28.500 -4.211 -1.348 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -27.880 -3.391 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -26.815 -3.640 -1.299 1.00 0.00 H new ATOM 350 N GLU A 23 -24.414 -5.122 3.406 1.00 0.00 N ATOM 351 CA GLU A 23 -23.208 -5.051 4.213 1.00 0.00 C ATOM 352 C GLU A 23 -23.122 -6.258 5.149 1.00 0.00 C ATOM 353 O GLU A 23 -22.033 -6.650 5.564 1.00 0.00 O ATOM 354 CB GLU A 23 -23.152 -3.741 5.001 1.00 0.00 C ATOM 355 CG GLU A 23 -21.893 -3.676 5.869 1.00 0.00 C ATOM 356 CD GLU A 23 -21.555 -2.230 6.237 1.00 0.00 C ATOM 357 OE1 GLU A 23 -21.451 -1.414 5.296 1.00 0.00 O ATOM 358 OE2 GLU A 23 -21.408 -1.973 7.451 1.00 0.00 O ATOM 0 H GLU A 23 -24.945 -4.252 3.354 1.00 0.00 H new ATOM 0 HA GLU A 23 -22.347 -5.073 3.545 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -23.167 -2.897 4.312 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -24.037 -3.653 5.631 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -22.042 -4.261 6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -21.055 -4.125 5.335 1.00 0.00 H new ATOM 365 N TYR A 24 -24.286 -6.814 5.454 1.00 0.00 N ATOM 366 CA TYR A 24 -24.356 -7.968 6.333 1.00 0.00 C ATOM 367 C TYR A 24 -23.606 -9.160 5.734 1.00 0.00 C ATOM 368 O TYR A 24 -22.902 -9.875 6.445 1.00 0.00 O ATOM 369 CB TYR A 24 -25.841 -8.320 6.448 1.00 0.00 C ATOM 370 CG TYR A 24 -26.219 -8.995 7.768 1.00 0.00 C ATOM 371 CD1 TYR A 24 -25.858 -8.416 8.968 1.00 0.00 C ATOM 372 CD2 TYR A 24 -26.923 -10.182 7.759 1.00 0.00 C ATOM 373 CE1 TYR A 24 -26.214 -9.051 10.210 1.00 0.00 C ATOM 374 CE2 TYR A 24 -27.279 -10.817 9.002 1.00 0.00 C ATOM 375 CZ TYR A 24 -26.907 -10.220 10.166 1.00 0.00 C ATOM 376 OH TYR A 24 -27.244 -10.819 11.339 1.00 0.00 O ATOM 0 H TYR A 24 -25.188 -6.486 5.108 1.00 0.00 H new ATOM 0 HA TYR A 24 -23.903 -7.743 7.299 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -26.430 -7.410 6.335 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -26.113 -8.979 5.624 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -25.308 -7.486 8.975 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -27.207 -10.635 6.820 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -25.937 -8.609 11.156 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -27.829 -11.746 9.009 1.00 0.00 H new ATOM 0 HH TYR A 24 -27.738 -11.645 11.154 1.00 0.00 H new ATOM 386 N ASN A 25 -23.784 -9.337 4.433 1.00 0.00 N ATOM 387 CA ASN A 25 -23.133 -10.429 3.731 1.00 0.00 C ATOM 388 C ASN A 25 -22.622 -9.928 2.378 1.00 0.00 C ATOM 389 O ASN A 25 -23.248 -10.168 1.347 1.00 0.00 O ATOM 390 CB ASN A 25 -24.111 -11.577 3.471 1.00 0.00 C ATOM 391 CG ASN A 25 -23.857 -12.741 4.431 1.00 0.00 C ATOM 392 OD1 ASN A 25 -22.917 -13.506 4.286 1.00 0.00 O ATOM 393 ND2 ASN A 25 -24.745 -12.832 5.417 1.00 0.00 N ATOM 0 H ASN A 25 -24.370 -8.742 3.847 1.00 0.00 H new ATOM 0 HA ASN A 25 -22.312 -10.787 4.352 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -25.135 -11.221 3.588 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -24.009 -11.921 2.442 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -24.663 -13.576 6.110 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -25.508 -12.158 5.480 1.00 0.00 H new ATOM 400 N LEU A 26 -21.491 -9.241 2.426 1.00 0.00 N ATOM 401 CA LEU A 26 -20.889 -8.704 1.218 1.00 0.00 C ATOM 402 C LEU A 26 -19.505 -9.326 1.022 1.00 0.00 C ATOM 403 O LEU A 26 -19.238 -9.945 -0.006 1.00 0.00 O ATOM 404 CB LEU A 26 -20.876 -7.175 1.259 1.00 0.00 C ATOM 405 CG LEU A 26 -20.326 -6.475 0.015 1.00 0.00 C ATOM 406 CD1 LEU A 26 -20.886 -5.057 -0.109 1.00 0.00 C ATOM 407 CD2 LEU A 26 -18.796 -6.489 0.009 1.00 0.00 C ATOM 0 H LEU A 26 -20.975 -9.044 3.283 1.00 0.00 H new ATOM 0 HA LEU A 26 -21.485 -8.971 0.345 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -21.895 -6.827 1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.286 -6.859 2.120 1.00 0.00 H new ATOM 0 HG LEU A 26 -20.657 -7.030 -0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -20.479 -4.582 -1.002 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -21.973 -5.100 -0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -20.606 -4.477 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.431 -5.985 -0.886 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -18.424 -5.972 0.894 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -18.442 -7.520 0.015 1.00 0.00 H new ATOM 419 N LYS A 27 -18.660 -9.140 2.027 1.00 0.00 N ATOM 420 CA LYS A 27 -17.310 -9.675 1.978 1.00 0.00 C ATOM 421 C LYS A 27 -17.201 -10.859 2.941 1.00 0.00 C ATOM 422 O LYS A 27 -16.506 -10.779 3.952 1.00 0.00 O ATOM 423 CB LYS A 27 -16.286 -8.570 2.244 1.00 0.00 C ATOM 424 CG LYS A 27 -14.858 -9.098 2.094 1.00 0.00 C ATOM 425 CD LYS A 27 -13.889 -8.320 2.986 1.00 0.00 C ATOM 426 CE LYS A 27 -13.358 -9.201 4.118 1.00 0.00 C ATOM 427 NZ LYS A 27 -12.584 -8.392 5.086 1.00 0.00 N ATOM 0 H LYS A 27 -18.885 -8.626 2.879 1.00 0.00 H new ATOM 0 HA LYS A 27 -17.085 -10.052 0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -16.447 -7.745 1.550 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -16.427 -8.173 3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -14.828 -10.156 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -14.544 -9.018 1.053 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -13.057 -7.949 2.388 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -14.394 -7.449 3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.189 -9.690 4.626 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.727 -9.989 3.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.231 -9.006 5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -11.780 -7.945 4.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.196 -7.655 5.491 1.00 0.00 H new ATOM 441 N ARG A 28 -17.898 -11.930 2.592 1.00 0.00 N ATOM 442 CA ARG A 28 -17.888 -13.130 3.412 1.00 0.00 C ATOM 443 C ARG A 28 -17.917 -14.378 2.528 1.00 0.00 C ATOM 444 O ARG A 28 -18.458 -14.349 1.424 1.00 0.00 O ATOM 445 CB ARG A 28 -19.088 -13.158 4.361 1.00 0.00 C ATOM 446 CG ARG A 28 -18.841 -14.116 5.529 1.00 0.00 C ATOM 447 CD ARG A 28 -19.994 -14.063 6.534 1.00 0.00 C ATOM 448 NE ARG A 28 -19.595 -14.726 7.796 1.00 0.00 N ATOM 449 CZ ARG A 28 -19.615 -16.052 7.987 1.00 0.00 C ATOM 450 NH1 ARG A 28 -20.014 -16.865 7.000 1.00 0.00 N ATOM 451 NH2 ARG A 28 -19.235 -16.564 9.166 1.00 0.00 N ATOM 0 H ARG A 28 -18.474 -11.992 1.752 1.00 0.00 H new ATOM 0 HA ARG A 28 -16.972 -13.120 4.002 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -19.278 -12.155 4.743 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -19.980 -13.466 3.816 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -18.728 -15.133 5.153 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -17.907 -13.855 6.027 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -20.270 -13.027 6.729 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -20.873 -14.554 6.118 1.00 0.00 H new ATOM 0 HE ARG A 28 -19.285 -14.136 8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -20.303 -16.475 6.103 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -20.029 -17.874 7.145 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -18.931 -15.944 9.917 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.250 -17.573 9.312 1.00 0.00 H new ATOM 465 N THR A 29 -17.326 -15.445 3.047 1.00 0.00 N ATOM 466 CA THR A 29 -17.277 -16.701 2.318 1.00 0.00 C ATOM 467 C THR A 29 -17.893 -17.826 3.152 1.00 0.00 C ATOM 468 O THR A 29 -17.187 -18.524 3.878 1.00 0.00 O ATOM 469 CB THR A 29 -15.822 -16.963 1.925 1.00 0.00 C ATOM 470 OG1 THR A 29 -15.584 -16.056 0.852 1.00 0.00 O ATOM 471 CG2 THR A 29 -15.625 -18.344 1.295 1.00 0.00 C ATOM 0 H THR A 29 -16.878 -15.465 3.963 1.00 0.00 H new ATOM 0 HA THR A 29 -17.872 -16.652 1.406 1.00 0.00 H new ATOM 0 HB THR A 29 -15.186 -16.871 2.806 1.00 0.00 H new ATOM 0 HG1 THR A 29 -14.662 -16.157 0.537 1.00 0.00 H new ATOM 0 HG21 THR A 29 -14.575 -18.479 1.035 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.924 -19.114 2.006 1.00 0.00 H new ATOM 0 HG23 THR A 29 -16.235 -18.424 0.395 1.00 0.00 H new ATOM 479 N PRO A 30 -19.239 -17.971 3.018 1.00 0.00 N ATOM 480 CA PRO A 30 -19.958 -18.999 3.750 1.00 0.00 C ATOM 481 C PRO A 30 -19.714 -20.380 3.139 1.00 0.00 C ATOM 482 O PRO A 30 -18.973 -20.510 2.166 1.00 0.00 O ATOM 483 CB PRO A 30 -21.417 -18.574 3.695 1.00 0.00 C ATOM 484 CG PRO A 30 -21.519 -17.583 2.547 1.00 0.00 C ATOM 485 CD PRO A 30 -20.108 -17.162 2.168 1.00 0.00 C ATOM 0 HA PRO A 30 -19.623 -19.092 4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -22.068 -19.432 3.529 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -21.726 -18.116 4.635 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -22.024 -18.037 1.694 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -22.110 -16.716 2.842 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -19.910 -17.345 1.112 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.952 -16.097 2.342 1.00 0.00 H new ATOM 493 N ARG A 31 -20.350 -21.377 3.736 1.00 0.00 N ATOM 494 CA ARG A 31 -20.211 -22.744 3.263 1.00 0.00 C ATOM 495 C ARG A 31 -21.551 -23.263 2.739 1.00 0.00 C ATOM 496 O ARG A 31 -22.590 -23.054 3.365 1.00 0.00 O ATOM 497 CB ARG A 31 -19.716 -23.665 4.380 1.00 0.00 C ATOM 498 CG ARG A 31 -18.501 -24.475 3.924 1.00 0.00 C ATOM 499 CD ARG A 31 -18.901 -25.527 2.887 1.00 0.00 C ATOM 500 NE ARG A 31 -18.162 -25.300 1.625 1.00 0.00 N ATOM 501 CZ ARG A 31 -18.443 -25.916 0.469 1.00 0.00 C ATOM 502 NH1 ARG A 31 -19.446 -26.802 0.408 1.00 0.00 N ATOM 503 NH2 ARG A 31 -17.719 -25.648 -0.627 1.00 0.00 N ATOM 0 H ARG A 31 -20.963 -21.266 4.543 1.00 0.00 H new ATOM 0 HA ARG A 31 -19.478 -22.743 2.456 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -19.454 -23.072 5.256 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -20.516 -24.341 4.680 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -17.752 -23.806 3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -18.041 -24.963 4.784 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -18.687 -26.525 3.269 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -19.974 -25.479 2.703 1.00 0.00 H new ATOM 0 HE ARG A 31 -17.391 -24.633 1.636 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -19.996 -27.008 1.242 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -19.660 -27.271 -0.472 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -16.954 -24.975 -0.581 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -17.933 -26.117 -1.507 1.00 0.00 H new ATOM 517 N ARG A 32 -21.485 -23.930 1.596 1.00 0.00 N ATOM 518 CA ARG A 32 -22.681 -24.481 0.981 1.00 0.00 C ATOM 519 C ARG A 32 -22.817 -25.966 1.322 1.00 0.00 C ATOM 520 O ARG A 32 -23.467 -26.325 2.303 1.00 0.00 O ATOM 521 CB ARG A 32 -22.644 -24.315 -0.540 1.00 0.00 C ATOM 522 CG ARG A 32 -23.005 -22.884 -0.944 1.00 0.00 C ATOM 523 CD ARG A 32 -22.133 -22.406 -2.106 1.00 0.00 C ATOM 524 NE ARG A 32 -22.327 -20.955 -2.322 1.00 0.00 N ATOM 525 CZ ARG A 32 -23.410 -20.421 -2.903 1.00 0.00 C ATOM 526 NH1 ARG A 32 -24.403 -21.214 -3.329 1.00 0.00 N ATOM 527 NH2 ARG A 32 -23.501 -19.093 -3.057 1.00 0.00 N ATOM 0 H ARG A 32 -20.622 -24.101 1.080 1.00 0.00 H new ATOM 0 HA ARG A 32 -23.538 -23.935 1.374 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -21.650 -24.562 -0.912 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -23.341 -25.014 -1.003 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -24.056 -22.837 -1.230 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -22.877 -22.218 -0.091 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -21.084 -22.613 -1.893 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -22.389 -22.954 -3.013 1.00 0.00 H new ATOM 0 HE ARG A 32 -21.591 -20.322 -2.009 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -24.335 -22.225 -3.211 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -25.227 -20.807 -3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -22.746 -18.489 -2.732 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -24.325 -18.686 -3.499 1.00 0.00 H new TER 541 ARG A 32