USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=11 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 Single : A 1 THR N :NH3+ -158:sc= -0.117 (180deg=-0.634) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.607 X(o=-0.61,f=-0.83) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 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= 0 X(o=0,f=-0.016) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.086) 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 -31.347 27.306 4.638 1.00 0.00 N ATOM 2 CA THR A 1 -30.073 26.893 5.203 1.00 0.00 C ATOM 3 C THR A 1 -30.254 25.647 6.072 1.00 0.00 C ATOM 4 O THR A 1 -29.615 24.623 5.835 1.00 0.00 O ATOM 5 CB THR A 1 -29.485 28.083 5.964 1.00 0.00 C ATOM 6 OG1 THR A 1 -29.143 29.014 4.940 1.00 0.00 O ATOM 7 CG2 THR A 1 -28.147 27.751 6.628 1.00 0.00 C ATOM 0 H1 THR A 1 -31.180 27.885 3.791 1.00 0.00 H new ATOM 0 H2 THR A 1 -31.901 26.465 4.378 1.00 0.00 H new ATOM 0 H3 THR A 1 -31.874 27.864 5.340 1.00 0.00 H new ATOM 0 HA THR A 1 -29.368 26.607 4.422 1.00 0.00 H new ATOM 0 HB THR A 1 -30.194 28.415 6.723 1.00 0.00 H new ATOM 0 HG1 THR A 1 -28.756 29.818 5.345 1.00 0.00 H new ATOM 0 HG21 THR A 1 -27.774 28.630 7.154 1.00 0.00 H new ATOM 0 HG22 THR A 1 -28.285 26.935 7.337 1.00 0.00 H new ATOM 0 HG23 THR A 1 -27.427 27.452 5.866 1.00 0.00 H new ATOM 15 N SER A 2 -31.128 25.774 7.059 1.00 0.00 N ATOM 16 CA SER A 2 -31.401 24.671 7.964 1.00 0.00 C ATOM 17 C SER A 2 -32.471 23.756 7.366 1.00 0.00 C ATOM 18 O SER A 2 -32.655 22.628 7.822 1.00 0.00 O ATOM 19 CB SER A 2 -31.847 25.181 9.336 1.00 0.00 C ATOM 20 OG SER A 2 -30.760 25.718 10.085 1.00 0.00 O ATOM 0 H SER A 2 -31.657 26.625 7.252 1.00 0.00 H new ATOM 0 HA SER A 2 -30.480 24.104 8.099 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.612 25.947 9.207 1.00 0.00 H new ATOM 0 HB3 SER A 2 -32.304 24.365 9.895 1.00 0.00 H new ATOM 0 HG SER A 2 -31.086 26.034 10.953 1.00 0.00 H new ATOM 26 N SER A 3 -33.149 24.274 6.352 1.00 0.00 N ATOM 27 CA SER A 3 -34.195 23.518 5.686 1.00 0.00 C ATOM 28 C SER A 3 -33.625 22.804 4.459 1.00 0.00 C ATOM 29 O SER A 3 -34.353 22.513 3.512 1.00 0.00 O ATOM 30 CB SER A 3 -35.358 24.426 5.280 1.00 0.00 C ATOM 31 OG SER A 3 -36.622 23.815 5.522 1.00 0.00 O ATOM 0 H SER A 3 -32.994 25.209 5.976 1.00 0.00 H new ATOM 0 HA SER A 3 -34.577 22.775 6.385 1.00 0.00 H new ATOM 0 HB2 SER A 3 -35.296 25.363 5.833 1.00 0.00 H new ATOM 0 HB3 SER A 3 -35.272 24.674 4.222 1.00 0.00 H new ATOM 0 HG SER A 3 -37.338 24.427 5.251 1.00 0.00 H new ATOM 37 N ILE A 4 -32.327 22.543 4.516 1.00 0.00 N ATOM 38 CA ILE A 4 -31.651 21.869 3.421 1.00 0.00 C ATOM 39 C ILE A 4 -30.957 20.612 3.952 1.00 0.00 C ATOM 40 O ILE A 4 -31.287 19.499 3.547 1.00 0.00 O ATOM 41 CB ILE A 4 -30.708 22.833 2.699 1.00 0.00 C ATOM 42 CG1 ILE A 4 -31.491 23.811 1.821 1.00 0.00 C ATOM 43 CG2 ILE A 4 -29.648 22.070 1.902 1.00 0.00 C ATOM 44 CD1 ILE A 4 -30.799 25.175 1.767 1.00 0.00 C ATOM 0 H ILE A 4 -31.726 22.786 5.303 1.00 0.00 H new ATOM 0 HA ILE A 4 -32.372 21.543 2.671 1.00 0.00 H new ATOM 0 HB ILE A 4 -30.183 23.423 3.450 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -31.584 23.406 0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -32.502 23.927 2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -28.991 22.779 1.399 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -29.061 21.449 2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -30.136 21.438 1.160 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -31.376 25.851 1.136 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -30.730 25.588 2.773 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -29.798 25.059 1.353 1.00 0.00 H new ATOM 56 N VAL A 5 -30.009 20.834 4.850 1.00 0.00 N ATOM 57 CA VAL A 5 -29.266 19.733 5.441 1.00 0.00 C ATOM 58 C VAL A 5 -30.233 18.602 5.794 1.00 0.00 C ATOM 59 O VAL A 5 -30.092 17.483 5.303 1.00 0.00 O ATOM 60 CB VAL A 5 -28.462 20.231 6.644 1.00 0.00 C ATOM 61 CG1 VAL A 5 -27.846 19.060 7.413 1.00 0.00 C ATOM 62 CG2 VAL A 5 -27.387 21.229 6.210 1.00 0.00 C ATOM 0 H VAL A 5 -29.738 21.759 5.183 1.00 0.00 H new ATOM 0 HA VAL A 5 -28.545 19.332 4.729 1.00 0.00 H new ATOM 0 HB VAL A 5 -29.147 20.749 7.315 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -27.280 19.441 8.263 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -28.638 18.402 7.770 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -27.180 18.502 6.754 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -26.830 21.567 7.084 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -26.705 20.747 5.509 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -27.859 22.085 5.727 1.00 0.00 H new ATOM 72 N HIS A 6 -31.195 18.933 6.644 1.00 0.00 N ATOM 73 CA HIS A 6 -32.185 17.958 7.069 1.00 0.00 C ATOM 74 C HIS A 6 -32.604 17.098 5.875 1.00 0.00 C ATOM 75 O HIS A 6 -32.727 15.880 5.996 1.00 0.00 O ATOM 76 CB HIS A 6 -33.370 18.649 7.747 1.00 0.00 C ATOM 77 CG HIS A 6 -34.318 17.701 8.442 1.00 0.00 C ATOM 78 ND1 HIS A 6 -34.063 17.169 9.695 1.00 0.00 N ATOM 79 CD2 HIS A 6 -35.522 17.195 8.048 1.00 0.00 C ATOM 80 CE1 HIS A 6 -35.074 16.381 10.028 1.00 0.00 C ATOM 81 NE2 HIS A 6 -35.977 16.398 9.006 1.00 0.00 N ATOM 0 H HIS A 6 -31.309 19.862 7.049 1.00 0.00 H new ATOM 0 HA HIS A 6 -31.750 17.294 7.816 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -32.991 19.366 8.475 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -33.923 19.216 6.999 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -36.021 17.407 7.114 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -35.167 15.823 10.948 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -36.857 15.883 8.982 1.00 0.00 H new ATOM 90 N LEU A 7 -32.812 17.766 4.750 1.00 0.00 N ATOM 91 CA LEU A 7 -33.215 17.078 3.535 1.00 0.00 C ATOM 92 C LEU A 7 -32.150 16.045 3.162 1.00 0.00 C ATOM 93 O LEU A 7 -32.395 14.841 3.233 1.00 0.00 O ATOM 94 CB LEU A 7 -33.512 18.084 2.422 1.00 0.00 C ATOM 95 CG LEU A 7 -34.433 17.595 1.303 1.00 0.00 C ATOM 96 CD1 LEU A 7 -35.867 18.084 1.520 1.00 0.00 C ATOM 97 CD2 LEU A 7 -33.892 18.000 -0.069 1.00 0.00 C ATOM 0 H LEU A 7 -32.709 18.776 4.654 1.00 0.00 H new ATOM 0 HA LEU A 7 -34.145 16.534 3.697 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -33.959 18.971 2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -32.566 18.394 1.978 1.00 0.00 H new ATOM 0 HG LEU A 7 -34.456 16.506 1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -36.501 17.722 0.711 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -36.241 17.705 2.471 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -35.882 19.174 1.533 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -34.566 17.640 -0.847 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -33.820 19.086 -0.126 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -32.904 17.563 -0.214 1.00 0.00 H new ATOM 109 N CYS A 8 -30.990 16.553 2.772 1.00 0.00 N ATOM 110 CA CYS A 8 -29.886 15.689 2.388 1.00 0.00 C ATOM 111 C CYS A 8 -29.688 14.644 3.487 1.00 0.00 C ATOM 112 O CYS A 8 -29.231 13.534 3.219 1.00 0.00 O ATOM 113 CB CYS A 8 -28.608 16.488 2.124 1.00 0.00 C ATOM 114 SG CYS A 8 -27.772 15.854 0.624 1.00 0.00 S ATOM 0 H CYS A 8 -30.791 17.552 2.714 1.00 0.00 H new ATOM 0 HA CYS A 8 -30.124 15.187 1.450 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -28.849 17.544 1.997 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -27.939 16.414 2.982 1.00 0.00 H new ATOM 0 HG CYS A 8 -26.690 16.541 0.408 1.00 0.00 H new ATOM 120 N ALA A 9 -30.042 15.036 4.703 1.00 0.00 N ATOM 121 CA ALA A 9 -29.909 14.146 5.844 1.00 0.00 C ATOM 122 C ALA A 9 -30.808 12.925 5.641 1.00 0.00 C ATOM 123 O ALA A 9 -30.430 11.807 5.986 1.00 0.00 O ATOM 124 CB ALA A 9 -30.243 14.909 7.127 1.00 0.00 C ATOM 0 H ALA A 9 -30.420 15.957 4.922 1.00 0.00 H new ATOM 0 HA ALA A 9 -28.883 13.788 5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -30.143 14.242 7.983 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -29.558 15.749 7.240 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -31.266 15.280 7.073 1.00 0.00 H new ATOM 130 N ILE A 10 -31.982 13.181 5.082 1.00 0.00 N ATOM 131 CA ILE A 10 -32.938 12.117 4.829 1.00 0.00 C ATOM 132 C ILE A 10 -32.529 11.360 3.564 1.00 0.00 C ATOM 133 O ILE A 10 -32.392 10.137 3.585 1.00 0.00 O ATOM 134 CB ILE A 10 -34.362 12.676 4.777 1.00 0.00 C ATOM 135 CG1 ILE A 10 -34.785 13.224 6.142 1.00 0.00 C ATOM 136 CG2 ILE A 10 -35.344 11.628 4.251 1.00 0.00 C ATOM 137 CD1 ILE A 10 -35.694 14.445 5.984 1.00 0.00 C ATOM 0 H ILE A 10 -32.292 14.110 4.797 1.00 0.00 H new ATOM 0 HA ILE A 10 -32.932 11.398 5.648 1.00 0.00 H new ATOM 0 HB ILE A 10 -34.376 13.510 4.076 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -35.306 12.449 6.704 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -33.901 13.496 6.719 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -36.348 12.051 4.224 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -35.050 11.327 3.245 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -35.334 10.758 4.908 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -35.980 14.815 6.968 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -35.162 15.227 5.443 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -36.588 14.163 5.428 1.00 0.00 H new ATOM 149 N SER A 11 -32.346 12.117 2.493 1.00 0.00 N ATOM 150 CA SER A 11 -31.955 11.533 1.221 1.00 0.00 C ATOM 151 C SER A 11 -30.894 10.453 1.445 1.00 0.00 C ATOM 152 O SER A 11 -30.938 9.396 0.818 1.00 0.00 O ATOM 153 CB SER A 11 -31.429 12.602 0.262 1.00 0.00 C ATOM 154 OG SER A 11 -32.453 13.506 -0.144 1.00 0.00 O ATOM 0 H SER A 11 -32.461 13.130 2.479 1.00 0.00 H new ATOM 0 HA SER A 11 -32.837 11.079 0.768 1.00 0.00 H new ATOM 0 HB2 SER A 11 -30.625 13.158 0.745 1.00 0.00 H new ATOM 0 HB3 SER A 11 -31.001 12.121 -0.617 1.00 0.00 H new ATOM 0 HG SER A 11 -32.077 14.174 -0.754 1.00 0.00 H new ATOM 160 N LEU A 12 -29.967 10.757 2.341 1.00 0.00 N ATOM 161 CA LEU A 12 -28.897 9.825 2.655 1.00 0.00 C ATOM 162 C LEU A 12 -29.295 8.991 3.874 1.00 0.00 C ATOM 163 O LEU A 12 -28.597 8.993 4.887 1.00 0.00 O ATOM 164 CB LEU A 12 -27.571 10.570 2.826 1.00 0.00 C ATOM 165 CG LEU A 12 -27.148 11.463 1.659 1.00 0.00 C ATOM 166 CD1 LEU A 12 -25.925 12.304 2.027 1.00 0.00 C ATOM 167 CD2 LEU A 12 -26.916 10.637 0.392 1.00 0.00 C ATOM 0 H LEU A 12 -29.934 11.635 2.859 1.00 0.00 H new ATOM 0 HA LEU A 12 -28.742 9.130 1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -27.636 11.185 3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -26.784 9.836 2.999 1.00 0.00 H new ATOM 0 HG LEU A 12 -27.962 12.156 1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -25.645 12.930 1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -26.162 12.937 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -25.094 11.646 2.282 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -26.616 11.296 -0.422 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -26.130 9.905 0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -27.837 10.121 0.121 1.00 0.00 H new ATOM 179 N ASP A 13 -30.415 8.297 3.736 1.00 0.00 N ATOM 180 CA ASP A 13 -30.915 7.459 4.813 1.00 0.00 C ATOM 181 C ASP A 13 -31.659 6.262 4.220 1.00 0.00 C ATOM 182 O ASP A 13 -31.418 5.121 4.610 1.00 0.00 O ATOM 183 CB ASP A 13 -31.892 8.231 5.703 1.00 0.00 C ATOM 184 CG ASP A 13 -32.180 7.585 7.059 1.00 0.00 C ATOM 185 OD1 ASP A 13 -31.440 6.638 7.405 1.00 0.00 O ATOM 186 OD2 ASP A 13 -33.132 8.052 7.720 1.00 0.00 O ATOM 0 H ASP A 13 -30.991 8.298 2.894 1.00 0.00 H new ATOM 0 HA ASP A 13 -30.063 7.134 5.410 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -31.494 9.232 5.871 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -32.833 8.349 5.166 1.00 0.00 H new ATOM 191 N ARG A 14 -32.549 6.563 3.286 1.00 0.00 N ATOM 192 CA ARG A 14 -33.331 5.526 2.634 1.00 0.00 C ATOM 193 C ARG A 14 -32.436 4.343 2.260 1.00 0.00 C ATOM 194 O ARG A 14 -32.831 3.188 2.414 1.00 0.00 O ATOM 195 CB ARG A 14 -34.012 6.060 1.372 1.00 0.00 C ATOM 196 CG ARG A 14 -35.049 5.066 0.847 1.00 0.00 C ATOM 197 CD ARG A 14 -34.761 4.691 -0.609 1.00 0.00 C ATOM 198 NE ARG A 14 -35.739 5.348 -1.504 1.00 0.00 N ATOM 199 CZ ARG A 14 -37.010 4.949 -1.650 1.00 0.00 C ATOM 200 NH1 ARG A 14 -37.464 3.893 -0.960 1.00 0.00 N ATOM 201 NH2 ARG A 14 -37.827 5.605 -2.485 1.00 0.00 N ATOM 0 H ARG A 14 -32.746 7.511 2.965 1.00 0.00 H new ATOM 0 HA ARG A 14 -34.098 5.199 3.336 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -34.494 7.013 1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -33.263 6.250 0.603 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -35.043 4.168 1.465 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -36.046 5.500 0.924 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -33.749 4.994 -0.878 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -34.813 3.609 -0.732 1.00 0.00 H new ATOM 0 HE ARG A 14 -35.426 6.155 -2.044 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -36.842 3.394 -0.324 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -38.431 3.589 -1.071 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -37.482 6.408 -3.010 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -38.794 5.301 -2.596 1.00 0.00 H new ATOM 215 N TYR A 15 -31.247 4.671 1.776 1.00 0.00 N ATOM 216 CA TYR A 15 -30.293 3.650 1.378 1.00 0.00 C ATOM 217 C TYR A 15 -29.524 3.117 2.589 1.00 0.00 C ATOM 218 O TYR A 15 -29.198 1.933 2.649 1.00 0.00 O ATOM 219 CB TYR A 15 -29.311 4.338 0.428 1.00 0.00 C ATOM 220 CG TYR A 15 -29.965 5.340 -0.525 1.00 0.00 C ATOM 221 CD1 TYR A 15 -30.991 4.935 -1.354 1.00 0.00 C ATOM 222 CD2 TYR A 15 -29.529 6.649 -0.556 1.00 0.00 C ATOM 223 CE1 TYR A 15 -31.607 5.878 -2.251 1.00 0.00 C ATOM 224 CE2 TYR A 15 -30.145 7.593 -1.453 1.00 0.00 C ATOM 225 CZ TYR A 15 -31.153 7.160 -2.256 1.00 0.00 C ATOM 226 OH TYR A 15 -31.735 8.051 -3.104 1.00 0.00 O ATOM 0 H TYR A 15 -30.923 5.630 1.650 1.00 0.00 H new ATOM 0 HA TYR A 15 -30.804 2.807 0.912 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -28.553 4.854 1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -28.796 3.577 -0.159 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -31.332 3.911 -1.330 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -28.726 6.966 0.093 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -32.411 5.574 -2.905 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -29.814 8.620 -1.487 1.00 0.00 H new ATOM 0 HH TYR A 15 -31.311 8.928 -2.999 1.00 0.00 H new ATOM 236 N TRP A 16 -29.258 4.018 3.524 1.00 0.00 N ATOM 237 CA TRP A 16 -28.534 3.653 4.730 1.00 0.00 C ATOM 238 C TRP A 16 -29.113 2.336 5.249 1.00 0.00 C ATOM 239 O TRP A 16 -28.394 1.346 5.378 1.00 0.00 O ATOM 240 CB TRP A 16 -28.589 4.779 5.764 1.00 0.00 C ATOM 241 CG TRP A 16 -27.954 4.420 7.109 1.00 0.00 C ATOM 242 CD1 TRP A 16 -28.507 4.491 8.327 1.00 0.00 C ATOM 243 CD2 TRP A 16 -26.614 3.929 7.323 1.00 0.00 C ATOM 244 NE1 TRP A 16 -27.625 4.083 9.307 1.00 0.00 N ATOM 245 CE2 TRP A 16 -26.437 3.730 8.677 1.00 0.00 C ATOM 246 CE3 TRP A 16 -25.585 3.661 6.403 1.00 0.00 C ATOM 247 CZ2 TRP A 16 -25.243 3.255 9.233 1.00 0.00 C ATOM 248 CZ3 TRP A 16 -24.398 3.187 6.974 1.00 0.00 C ATOM 249 CH2 TRP A 16 -24.204 2.981 8.335 1.00 0.00 C ATOM 0 H TRP A 16 -29.531 4.999 3.471 1.00 0.00 H new ATOM 0 HA TRP A 16 -27.475 3.507 4.515 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -28.085 5.656 5.358 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -29.630 5.057 5.928 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -29.516 4.825 8.518 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -27.811 4.047 10.309 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -25.701 3.809 5.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -25.129 3.108 10.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -23.575 2.966 6.310 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -23.256 2.611 8.698 1.00 0.00 H new ATOM 260 N SER A 17 -30.407 2.366 5.532 1.00 0.00 N ATOM 261 CA SER A 17 -31.091 1.186 6.034 1.00 0.00 C ATOM 262 C SER A 17 -30.754 -0.025 5.162 1.00 0.00 C ATOM 263 O SER A 17 -30.160 -0.991 5.638 1.00 0.00 O ATOM 264 CB SER A 17 -32.604 1.404 6.078 1.00 0.00 C ATOM 265 OG SER A 17 -33.258 0.444 6.904 1.00 0.00 O ATOM 0 H SER A 17 -31.000 3.189 5.423 1.00 0.00 H new ATOM 0 HA SER A 17 -30.748 0.999 7.052 1.00 0.00 H new ATOM 0 HB2 SER A 17 -32.815 2.406 6.450 1.00 0.00 H new ATOM 0 HB3 SER A 17 -33.008 1.348 5.067 1.00 0.00 H new ATOM 0 HG SER A 17 -34.222 0.618 6.907 1.00 0.00 H new ATOM 271 N ILE A 18 -31.148 0.067 3.900 1.00 0.00 N ATOM 272 CA ILE A 18 -30.895 -1.009 2.957 1.00 0.00 C ATOM 273 C ILE A 18 -29.453 -1.492 3.116 1.00 0.00 C ATOM 274 O ILE A 18 -29.215 -2.665 3.402 1.00 0.00 O ATOM 275 CB ILE A 18 -31.242 -0.566 1.534 1.00 0.00 C ATOM 276 CG1 ILE A 18 -32.738 -0.275 1.400 1.00 0.00 C ATOM 277 CG2 ILE A 18 -30.764 -1.596 0.508 1.00 0.00 C ATOM 278 CD1 ILE A 18 -33.014 0.641 0.206 1.00 0.00 C ATOM 0 H ILE A 18 -31.640 0.870 3.509 1.00 0.00 H new ATOM 0 HA ILE A 18 -31.542 -1.861 3.168 1.00 0.00 H new ATOM 0 HB ILE A 18 -30.713 0.364 1.327 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -33.285 -1.210 1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -33.104 0.193 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -31.023 -1.257 -0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -29.683 -1.711 0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -31.245 -2.554 0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -34.085 0.832 0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -32.486 1.585 0.342 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -32.669 0.160 -0.709 1.00 0.00 H new ATOM 290 N THR A 19 -28.526 -0.565 2.923 1.00 0.00 N ATOM 291 CA THR A 19 -27.113 -0.882 3.042 1.00 0.00 C ATOM 292 C THR A 19 -26.863 -1.747 4.279 1.00 0.00 C ATOM 293 O THR A 19 -26.062 -2.680 4.236 1.00 0.00 O ATOM 294 CB THR A 19 -26.333 0.434 3.053 1.00 0.00 C ATOM 295 OG1 THR A 19 -26.320 0.842 1.687 1.00 0.00 O ATOM 296 CG2 THR A 19 -24.855 0.236 3.396 1.00 0.00 C ATOM 0 H THR A 19 -28.726 0.406 2.685 1.00 0.00 H new ATOM 0 HA THR A 19 -26.768 -1.474 2.195 1.00 0.00 H new ATOM 0 HB THR A 19 -26.785 1.117 3.773 1.00 0.00 H new ATOM 0 HG1 THR A 19 -25.835 1.689 1.603 1.00 0.00 H new ATOM 0 HG21 THR A 19 -24.348 1.201 3.390 1.00 0.00 H new ATOM 0 HG22 THR A 19 -24.768 -0.214 4.385 1.00 0.00 H new ATOM 0 HG23 THR A 19 -24.395 -0.420 2.657 1.00 0.00 H new ATOM 304 N GLN A 20 -27.563 -1.407 5.351 1.00 0.00 N ATOM 305 CA GLN A 20 -27.426 -2.141 6.597 1.00 0.00 C ATOM 306 C GLN A 20 -28.243 -3.434 6.544 1.00 0.00 C ATOM 307 O GLN A 20 -29.071 -3.686 7.418 1.00 0.00 O ATOM 308 CB GLN A 20 -27.843 -1.278 7.790 1.00 0.00 C ATOM 309 CG GLN A 20 -27.085 -1.688 9.055 1.00 0.00 C ATOM 310 CD GLN A 20 -27.034 -0.537 10.061 1.00 0.00 C ATOM 311 OE1 GLN A 20 -28.011 0.151 10.307 1.00 0.00 O ATOM 312 NE2 GLN A 20 -25.842 -0.366 10.627 1.00 0.00 N ATOM 0 H GLN A 20 -28.227 -0.633 5.382 1.00 0.00 H new ATOM 0 HA GLN A 20 -26.376 -2.403 6.729 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -27.649 -0.228 7.570 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -28.916 -1.376 7.957 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -27.570 -2.552 9.510 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -26.072 -1.992 8.793 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -25.066 -0.978 10.376 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -25.705 0.377 11.312 1.00 0.00 H new ATOM 321 N ALA A 21 -27.981 -4.219 5.510 1.00 0.00 N ATOM 322 CA ALA A 21 -28.681 -5.480 5.331 1.00 0.00 C ATOM 323 C ALA A 21 -28.323 -6.068 3.965 1.00 0.00 C ATOM 324 O ALA A 21 -29.191 -6.579 3.258 1.00 0.00 O ATOM 325 CB ALA A 21 -30.186 -5.256 5.493 1.00 0.00 C ATOM 0 H ALA A 21 -27.293 -4.007 4.787 1.00 0.00 H new ATOM 0 HA ALA A 21 -28.375 -6.200 6.090 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -30.711 -6.202 5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -30.391 -4.866 6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -30.530 -4.541 4.746 1.00 0.00 H new ATOM 331 N ILE A 22 -27.044 -5.976 3.633 1.00 0.00 N ATOM 332 CA ILE A 22 -26.561 -6.492 2.364 1.00 0.00 C ATOM 333 C ILE A 22 -25.183 -7.126 2.567 1.00 0.00 C ATOM 334 O ILE A 22 -25.002 -8.318 2.325 1.00 0.00 O ATOM 335 CB ILE A 22 -26.582 -5.396 1.296 1.00 0.00 C ATOM 336 CG1 ILE A 22 -28.014 -4.940 1.007 1.00 0.00 C ATOM 337 CG2 ILE A 22 -25.858 -5.852 0.028 1.00 0.00 C ATOM 338 CD1 ILE A 22 -28.025 -3.735 0.064 1.00 0.00 C ATOM 0 H ILE A 22 -26.327 -5.551 4.221 1.00 0.00 H new ATOM 0 HA ILE A 22 -27.222 -7.276 1.996 1.00 0.00 H new ATOM 0 HB ILE A 22 -26.041 -4.532 1.682 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -28.578 -5.760 0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -28.512 -4.680 1.941 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -25.888 -5.055 -0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -24.821 -6.088 0.266 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -26.349 -6.739 -0.372 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -29.054 -3.431 -0.125 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -27.481 -2.909 0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -27.548 -4.006 -0.878 1.00 0.00 H new ATOM 350 N GLU A 23 -24.247 -6.300 3.010 1.00 0.00 N ATOM 351 CA GLU A 23 -22.891 -6.764 3.249 1.00 0.00 C ATOM 352 C GLU A 23 -22.843 -7.639 4.503 1.00 0.00 C ATOM 353 O GLU A 23 -22.204 -7.280 5.491 1.00 0.00 O ATOM 354 CB GLU A 23 -21.920 -5.588 3.364 1.00 0.00 C ATOM 355 CG GLU A 23 -22.357 -4.622 4.467 1.00 0.00 C ATOM 356 CD GLU A 23 -21.146 -3.964 5.132 1.00 0.00 C ATOM 357 OE1 GLU A 23 -20.302 -3.436 4.377 1.00 0.00 O ATOM 358 OE2 GLU A 23 -21.092 -4.006 6.380 1.00 0.00 O ATOM 0 H GLU A 23 -24.401 -5.312 3.210 1.00 0.00 H new ATOM 0 HA GLU A 23 -22.579 -7.367 2.396 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -20.917 -5.959 3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -21.869 -5.060 2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -23.007 -3.855 4.047 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -22.940 -5.159 5.215 1.00 0.00 H new ATOM 365 N TYR A 24 -23.527 -8.771 4.423 1.00 0.00 N ATOM 366 CA TYR A 24 -23.570 -9.700 5.540 1.00 0.00 C ATOM 367 C TYR A 24 -24.011 -11.091 5.079 1.00 0.00 C ATOM 368 O TYR A 24 -23.415 -12.095 5.466 1.00 0.00 O ATOM 369 CB TYR A 24 -24.612 -9.143 6.511 1.00 0.00 C ATOM 370 CG TYR A 24 -24.312 -9.438 7.982 1.00 0.00 C ATOM 371 CD1 TYR A 24 -24.047 -10.731 8.387 1.00 0.00 C ATOM 372 CD2 TYR A 24 -24.306 -8.412 8.905 1.00 0.00 C ATOM 373 CE1 TYR A 24 -23.764 -11.009 9.771 1.00 0.00 C ATOM 374 CE2 TYR A 24 -24.024 -8.690 10.289 1.00 0.00 C ATOM 375 CZ TYR A 24 -23.766 -9.974 10.654 1.00 0.00 C ATOM 376 OH TYR A 24 -23.499 -10.237 11.961 1.00 0.00 O ATOM 0 H TYR A 24 -24.056 -9.066 3.602 1.00 0.00 H new ATOM 0 HA TYR A 24 -22.585 -9.799 5.996 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -24.681 -8.064 6.374 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -25.587 -9.559 6.259 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -24.052 -11.534 7.665 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -24.513 -7.400 8.589 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -23.555 -12.016 10.101 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -24.018 -7.896 11.021 1.00 0.00 H new ATOM 0 HH TYR A 24 -23.534 -9.404 12.476 1.00 0.00 H new ATOM 386 N ASN A 25 -25.052 -11.105 4.259 1.00 0.00 N ATOM 387 CA ASN A 25 -25.580 -12.356 3.742 1.00 0.00 C ATOM 388 C ASN A 25 -25.418 -12.382 2.221 1.00 0.00 C ATOM 389 O ASN A 25 -26.307 -12.844 1.506 1.00 0.00 O ATOM 390 CB ASN A 25 -27.070 -12.499 4.062 1.00 0.00 C ATOM 391 CG ASN A 25 -27.400 -13.924 4.511 1.00 0.00 C ATOM 392 OD1 ASN A 25 -28.239 -14.603 3.943 1.00 0.00 O ATOM 393 ND2 ASN A 25 -26.695 -14.337 5.561 1.00 0.00 N ATOM 0 H ASN A 25 -25.544 -10.270 3.940 1.00 0.00 H new ATOM 0 HA ASN A 25 -25.031 -13.173 4.210 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -27.347 -11.794 4.846 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -27.661 -12.245 3.182 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -26.842 -15.273 5.938 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -26.008 -13.717 5.989 1.00 0.00 H new ATOM 400 N LEU A 26 -24.278 -11.881 1.770 1.00 0.00 N ATOM 401 CA LEU A 26 -23.988 -11.842 0.347 1.00 0.00 C ATOM 402 C LEU A 26 -22.534 -12.258 0.115 1.00 0.00 C ATOM 403 O LEU A 26 -22.269 -13.259 -0.548 1.00 0.00 O ATOM 404 CB LEU A 26 -24.335 -10.469 -0.232 1.00 0.00 C ATOM 405 CG LEU A 26 -23.673 -10.117 -1.566 1.00 0.00 C ATOM 406 CD1 LEU A 26 -24.267 -10.944 -2.708 1.00 0.00 C ATOM 407 CD2 LEU A 26 -23.759 -8.615 -1.842 1.00 0.00 C ATOM 0 H LEU A 26 -23.543 -11.498 2.365 1.00 0.00 H new ATOM 0 HA LEU A 26 -24.613 -12.556 -0.189 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -25.416 -10.413 -0.360 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -24.061 -9.708 0.499 1.00 0.00 H new ATOM 0 HG LEU A 26 -22.615 -10.372 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -23.779 -10.674 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -24.110 -12.004 -2.509 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -25.336 -10.743 -2.785 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -23.281 -8.392 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -24.805 -8.311 -1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -23.252 -8.069 -1.046 1.00 0.00 H new ATOM 419 N LYS A 27 -21.630 -11.467 0.675 1.00 0.00 N ATOM 420 CA LYS A 27 -20.209 -11.741 0.537 1.00 0.00 C ATOM 421 C LYS A 27 -19.583 -11.873 1.927 1.00 0.00 C ATOM 422 O LYS A 27 -18.809 -11.015 2.347 1.00 0.00 O ATOM 423 CB LYS A 27 -19.542 -10.679 -0.339 1.00 0.00 C ATOM 424 CG LYS A 27 -18.369 -11.273 -1.122 1.00 0.00 C ATOM 425 CD LYS A 27 -17.381 -10.182 -1.542 1.00 0.00 C ATOM 426 CE LYS A 27 -16.224 -10.772 -2.351 1.00 0.00 C ATOM 427 NZ LYS A 27 -16.320 -10.358 -3.769 1.00 0.00 N ATOM 0 H LYS A 27 -21.853 -10.637 1.225 1.00 0.00 H new ATOM 0 HA LYS A 27 -20.051 -12.690 0.024 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -20.273 -10.262 -1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -19.189 -9.857 0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -17.857 -12.016 -0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -18.742 -11.791 -2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -17.897 -9.428 -2.136 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -16.991 -9.679 -0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.274 -10.441 -1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -16.241 -11.860 -2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.528 -10.767 -4.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -17.219 -10.695 -4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -16.281 -9.321 -3.831 1.00 0.00 H new ATOM 441 N ARG A 28 -19.941 -12.956 2.601 1.00 0.00 N ATOM 442 CA ARG A 28 -19.424 -13.212 3.935 1.00 0.00 C ATOM 443 C ARG A 28 -18.695 -14.557 3.972 1.00 0.00 C ATOM 444 O ARG A 28 -18.788 -15.344 3.031 1.00 0.00 O ATOM 445 CB ARG A 28 -20.550 -13.222 4.970 1.00 0.00 C ATOM 446 CG ARG A 28 -20.153 -12.435 6.220 1.00 0.00 C ATOM 447 CD ARG A 28 -20.397 -13.259 7.487 1.00 0.00 C ATOM 448 NE ARG A 28 -19.107 -13.584 8.136 1.00 0.00 N ATOM 449 CZ ARG A 28 -18.464 -12.766 8.980 1.00 0.00 C ATOM 450 NH1 ARG A 28 -18.986 -11.570 9.283 1.00 0.00 N ATOM 451 NH2 ARG A 28 -17.298 -13.144 9.521 1.00 0.00 N ATOM 0 H ARG A 28 -20.583 -13.666 2.249 1.00 0.00 H new ATOM 0 HA ARG A 28 -18.728 -12.410 4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -21.452 -12.791 4.536 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -20.788 -14.250 5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -19.101 -12.156 6.160 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -20.726 -11.509 6.268 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -21.030 -12.701 8.177 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -20.929 -14.177 7.237 1.00 0.00 H new ATOM 0 HE ARG A 28 -18.681 -14.487 7.928 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -19.873 -11.282 8.871 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -18.496 -10.948 9.926 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -16.900 -14.054 9.290 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -16.808 -12.521 10.164 1.00 0.00 H new ATOM 465 N THR A 29 -17.985 -14.779 5.069 1.00 0.00 N ATOM 466 CA THR A 29 -17.240 -16.015 5.241 1.00 0.00 C ATOM 467 C THR A 29 -17.426 -16.556 6.659 1.00 0.00 C ATOM 468 O THR A 29 -16.636 -16.255 7.552 1.00 0.00 O ATOM 469 CB THR A 29 -15.779 -15.739 4.882 1.00 0.00 C ATOM 470 OG1 THR A 29 -15.159 -17.021 4.943 1.00 0.00 O ATOM 471 CG2 THR A 29 -15.056 -14.925 5.957 1.00 0.00 C ATOM 0 H THR A 29 -17.910 -14.124 5.847 1.00 0.00 H new ATOM 0 HA THR A 29 -17.611 -16.797 4.578 1.00 0.00 H new ATOM 0 HB THR A 29 -15.733 -15.208 3.931 1.00 0.00 H new ATOM 0 HG1 THR A 29 -14.208 -16.935 4.722 1.00 0.00 H new ATOM 0 HG21 THR A 29 -14.023 -14.757 5.653 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.557 -13.966 6.085 1.00 0.00 H new ATOM 0 HG23 THR A 29 -15.072 -15.472 6.900 1.00 0.00 H new ATOM 479 N PRO A 30 -18.505 -17.368 6.828 1.00 0.00 N ATOM 480 CA PRO A 30 -18.805 -17.955 8.123 1.00 0.00 C ATOM 481 C PRO A 30 -17.846 -19.105 8.439 1.00 0.00 C ATOM 482 O PRO A 30 -17.043 -19.498 7.595 1.00 0.00 O ATOM 483 CB PRO A 30 -20.255 -18.400 8.026 1.00 0.00 C ATOM 484 CG PRO A 30 -20.572 -18.470 6.541 1.00 0.00 C ATOM 485 CD PRO A 30 -19.463 -17.747 5.794 1.00 0.00 C ATOM 0 HA PRO A 30 -18.672 -17.252 8.945 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -20.398 -19.370 8.502 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -20.914 -17.696 8.533 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -20.640 -19.507 6.213 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -21.537 -18.007 6.334 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -19.003 -18.393 5.046 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.845 -16.872 5.268 1.00 0.00 H new ATOM 493 N ARG A 31 -17.962 -19.611 9.658 1.00 0.00 N ATOM 494 CA ARG A 31 -17.116 -20.708 10.097 1.00 0.00 C ATOM 495 C ARG A 31 -17.834 -21.539 11.162 1.00 0.00 C ATOM 496 O ARG A 31 -18.874 -21.130 11.677 1.00 0.00 O ATOM 497 CB ARG A 31 -15.795 -20.189 10.668 1.00 0.00 C ATOM 498 CG ARG A 31 -14.607 -20.960 10.089 1.00 0.00 C ATOM 499 CD ARG A 31 -13.780 -20.073 9.156 1.00 0.00 C ATOM 500 NE ARG A 31 -12.593 -20.813 8.674 1.00 0.00 N ATOM 501 CZ ARG A 31 -11.868 -20.456 7.605 1.00 0.00 C ATOM 502 NH1 ARG A 31 -12.206 -19.368 6.900 1.00 0.00 N ATOM 503 NH2 ARG A 31 -10.807 -21.188 7.240 1.00 0.00 N ATOM 0 H ARG A 31 -18.629 -19.281 10.356 1.00 0.00 H new ATOM 0 HA ARG A 31 -16.903 -21.331 9.229 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -15.689 -19.128 10.443 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -15.801 -20.285 11.754 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -13.978 -21.328 10.899 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.966 -21.833 9.543 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -14.389 -19.755 8.310 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -13.467 -19.171 9.681 1.00 0.00 H new ATOM 0 HE ARG A 31 -12.309 -21.647 9.188 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.015 -18.812 7.177 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.654 -19.096 6.086 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -10.551 -22.017 7.776 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.255 -20.916 6.426 1.00 0.00 H new ATOM 517 N ARG A 32 -17.250 -22.690 11.461 1.00 0.00 N ATOM 518 CA ARG A 32 -17.821 -23.582 12.456 1.00 0.00 C ATOM 519 C ARG A 32 -17.108 -23.406 13.798 1.00 0.00 C ATOM 520 O ARG A 32 -16.790 -22.286 14.194 1.00 0.00 O ATOM 521 CB ARG A 32 -17.710 -25.043 12.015 1.00 0.00 C ATOM 522 CG ARG A 32 -16.246 -25.469 11.895 1.00 0.00 C ATOM 523 CD ARG A 32 -15.975 -26.736 12.710 1.00 0.00 C ATOM 524 NE ARG A 32 -14.952 -27.564 12.034 1.00 0.00 N ATOM 525 CZ ARG A 32 -14.220 -28.504 12.648 1.00 0.00 C ATOM 526 NH1 ARG A 32 -14.395 -28.740 13.955 1.00 0.00 N ATOM 527 NH2 ARG A 32 -13.314 -29.207 11.955 1.00 0.00 N ATOM 0 H ARG A 32 -16.388 -23.025 11.032 1.00 0.00 H new ATOM 0 HA ARG A 32 -18.875 -23.326 12.564 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -18.221 -25.683 12.734 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -18.211 -25.176 11.056 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -16.000 -25.646 10.848 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -15.599 -24.663 12.243 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -15.635 -26.469 13.711 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -16.896 -27.306 12.828 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.794 -27.410 11.038 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.085 -28.205 14.482 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.838 -29.455 14.423 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.181 -29.027 10.960 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.757 -29.922 12.423 1.00 0.00 H new TER 541 ARG A 32