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 Single : A 1 THR N :NH3+ 180:sc= 0 (180deg=0) 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 -53:sc= 1.14 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 58:sc= -0.595 USER MOD Single : A 15 TYR OH : rot 180:sc= -0.177 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= -0.0372 K(o=-0.037,f=-1.5!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00309 X(o=-0.0031,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=-0.00129 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -26.574 25.928 4.094 1.00 0.00 N ATOM 2 CA THR A 1 -25.575 25.043 4.669 1.00 0.00 C ATOM 3 C THR A 1 -26.242 23.994 5.561 1.00 0.00 C ATOM 4 O THR A 1 -26.058 22.795 5.358 1.00 0.00 O ATOM 5 CB THR A 1 -24.549 25.905 5.409 1.00 0.00 C ATOM 6 OG1 THR A 1 -23.787 26.509 4.367 1.00 0.00 O ATOM 7 CG2 THR A 1 -23.528 25.067 6.180 1.00 0.00 C ATOM 0 H1 THR A 1 -26.106 26.635 3.491 1.00 0.00 H new ATOM 0 H2 THR A 1 -27.242 25.373 3.522 1.00 0.00 H new ATOM 0 H3 THR A 1 -27.090 26.411 4.857 1.00 0.00 H new ATOM 0 HA THR A 1 -25.052 24.482 3.895 1.00 0.00 H new ATOM 0 HB THR A 1 -25.066 26.572 6.099 1.00 0.00 H new ATOM 0 HG1 THR A 1 -23.099 27.087 4.758 1.00 0.00 H new ATOM 0 HG21 THR A 1 -22.824 25.727 6.687 1.00 0.00 H new ATOM 0 HG22 THR A 1 -24.044 24.453 6.918 1.00 0.00 H new ATOM 0 HG23 THR A 1 -22.987 24.423 5.486 1.00 0.00 H new ATOM 15 N SER A 2 -27.003 24.483 6.528 1.00 0.00 N ATOM 16 CA SER A 2 -27.698 23.602 7.451 1.00 0.00 C ATOM 17 C SER A 2 -29.052 23.195 6.866 1.00 0.00 C ATOM 18 O SER A 2 -29.720 22.309 7.397 1.00 0.00 O ATOM 19 CB SER A 2 -27.888 24.271 8.814 1.00 0.00 C ATOM 20 OG SER A 2 -28.776 25.384 8.743 1.00 0.00 O ATOM 0 H SER A 2 -27.154 25.478 6.693 1.00 0.00 H new ATOM 0 HA SER A 2 -27.089 22.710 7.597 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.277 23.542 9.525 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.921 24.602 9.193 1.00 0.00 H new ATOM 0 HG SER A 2 -28.873 25.783 9.633 1.00 0.00 H new ATOM 26 N SER A 3 -29.416 23.861 5.781 1.00 0.00 N ATOM 27 CA SER A 3 -30.678 23.579 5.118 1.00 0.00 C ATOM 28 C SER A 3 -30.466 22.555 4.001 1.00 0.00 C ATOM 29 O SER A 3 -31.050 22.674 2.926 1.00 0.00 O ATOM 30 CB SER A 3 -31.302 24.858 4.554 1.00 0.00 C ATOM 31 OG SER A 3 -32.503 24.593 3.835 1.00 0.00 O ATOM 0 H SER A 3 -28.859 24.595 5.344 1.00 0.00 H new ATOM 0 HA SER A 3 -31.366 23.165 5.855 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.513 25.549 5.370 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.587 25.351 3.896 1.00 0.00 H new ATOM 0 HG SER A 3 -32.335 23.902 3.161 1.00 0.00 H new ATOM 37 N ILE A 4 -29.628 21.572 4.296 1.00 0.00 N ATOM 38 CA ILE A 4 -29.331 20.527 3.330 1.00 0.00 C ATOM 39 C ILE A 4 -29.245 19.181 4.052 1.00 0.00 C ATOM 40 O ILE A 4 -30.015 18.267 3.761 1.00 0.00 O ATOM 41 CB ILE A 4 -28.075 20.878 2.530 1.00 0.00 C ATOM 42 CG1 ILE A 4 -28.284 22.154 1.712 1.00 0.00 C ATOM 43 CG2 ILE A 4 -27.635 19.702 1.656 1.00 0.00 C ATOM 44 CD1 ILE A 4 -26.951 22.700 1.197 1.00 0.00 C ATOM 0 H ILE A 4 -29.145 21.477 5.190 1.00 0.00 H new ATOM 0 HA ILE A 4 -30.134 20.445 2.598 1.00 0.00 H new ATOM 0 HB ILE A 4 -27.266 21.076 3.234 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -28.945 21.947 0.871 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -28.777 22.908 2.327 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -26.740 19.978 1.098 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -27.417 18.841 2.288 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -28.433 19.448 0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -27.128 23.607 0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -26.301 22.929 2.041 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.473 21.953 0.563 1.00 0.00 H new ATOM 56 N VAL A 5 -28.301 19.102 4.978 1.00 0.00 N ATOM 57 CA VAL A 5 -28.104 17.883 5.743 1.00 0.00 C ATOM 58 C VAL A 5 -29.466 17.295 6.117 1.00 0.00 C ATOM 59 O VAL A 5 -29.795 16.179 5.719 1.00 0.00 O ATOM 60 CB VAL A 5 -27.220 18.166 6.960 1.00 0.00 C ATOM 61 CG1 VAL A 5 -27.232 16.984 7.933 1.00 0.00 C ATOM 62 CG2 VAL A 5 -25.792 18.509 6.532 1.00 0.00 C ATOM 0 H VAL A 5 -27.664 19.862 5.216 1.00 0.00 H new ATOM 0 HA VAL A 5 -27.581 17.137 5.145 1.00 0.00 H new ATOM 0 HB VAL A 5 -27.631 19.032 7.479 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -26.596 17.211 8.789 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -28.251 16.805 8.275 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -26.857 16.094 7.428 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -25.185 18.706 7.416 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -25.367 17.672 5.979 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -25.805 19.394 5.896 1.00 0.00 H new ATOM 72 N HIS A 6 -30.222 18.073 6.879 1.00 0.00 N ATOM 73 CA HIS A 6 -31.541 17.643 7.311 1.00 0.00 C ATOM 74 C HIS A 6 -32.248 16.922 6.162 1.00 0.00 C ATOM 75 O HIS A 6 -32.688 15.784 6.315 1.00 0.00 O ATOM 76 CB HIS A 6 -32.346 18.825 7.855 1.00 0.00 C ATOM 77 CG HIS A 6 -33.619 18.427 8.563 1.00 0.00 C ATOM 78 ND1 HIS A 6 -33.650 18.051 9.895 1.00 0.00 N ATOM 79 CD2 HIS A 6 -34.904 18.351 8.111 1.00 0.00 C ATOM 80 CE1 HIS A 6 -34.902 17.763 10.219 1.00 0.00 C ATOM 81 NE2 HIS A 6 -35.677 17.949 9.112 1.00 0.00 N ATOM 0 H HIS A 6 -29.946 18.998 7.208 1.00 0.00 H new ATOM 0 HA HIS A 6 -31.445 16.934 8.134 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -31.720 19.391 8.545 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -32.595 19.493 7.030 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -35.236 18.579 7.109 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -35.248 17.438 11.189 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -36.685 17.803 9.062 1.00 0.00 H new ATOM 90 N LEU A 7 -32.335 17.615 5.036 1.00 0.00 N ATOM 91 CA LEU A 7 -32.981 17.055 3.861 1.00 0.00 C ATOM 92 C LEU A 7 -32.283 15.750 3.473 1.00 0.00 C ATOM 93 O LEU A 7 -32.927 14.709 3.355 1.00 0.00 O ATOM 94 CB LEU A 7 -33.027 18.087 2.732 1.00 0.00 C ATOM 95 CG LEU A 7 -34.385 18.278 2.053 1.00 0.00 C ATOM 96 CD1 LEU A 7 -35.216 19.339 2.778 1.00 0.00 C ATOM 97 CD2 LEU A 7 -34.214 18.601 0.567 1.00 0.00 C ATOM 0 H LEU A 7 -31.969 18.559 4.912 1.00 0.00 H new ATOM 0 HA LEU A 7 -34.020 16.808 4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -32.705 19.048 3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -32.301 17.798 1.972 1.00 0.00 H new ATOM 0 HG LEU A 7 -34.935 17.339 2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -36.176 19.455 2.275 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -35.382 19.029 3.810 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -34.683 20.290 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -35.194 18.732 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -33.637 19.519 0.458 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -33.689 17.782 0.075 1.00 0.00 H new ATOM 109 N CYS A 8 -30.975 15.849 3.285 1.00 0.00 N ATOM 110 CA CYS A 8 -30.182 14.690 2.913 1.00 0.00 C ATOM 111 C CYS A 8 -30.468 13.571 3.917 1.00 0.00 C ATOM 112 O CYS A 8 -30.349 12.391 3.587 1.00 0.00 O ATOM 113 CB CYS A 8 -28.691 15.024 2.839 1.00 0.00 C ATOM 114 SG CYS A 8 -28.192 15.279 1.097 1.00 0.00 S ATOM 0 H CYS A 8 -30.445 16.715 3.383 1.00 0.00 H new ATOM 0 HA CYS A 8 -30.462 14.360 1.913 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -28.482 15.922 3.421 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -28.107 14.216 3.279 1.00 0.00 H new ATOM 0 HG CYS A 8 -26.925 15.564 1.046 1.00 0.00 H new ATOM 120 N ALA A 9 -30.838 13.980 5.121 1.00 0.00 N ATOM 121 CA ALA A 9 -31.141 13.027 6.175 1.00 0.00 C ATOM 122 C ALA A 9 -32.274 12.107 5.715 1.00 0.00 C ATOM 123 O ALA A 9 -32.216 10.896 5.919 1.00 0.00 O ATOM 124 CB ALA A 9 -31.487 13.780 7.461 1.00 0.00 C ATOM 0 H ALA A 9 -30.935 14.959 5.390 1.00 0.00 H new ATOM 0 HA ALA A 9 -30.274 12.401 6.387 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -31.714 13.065 8.251 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -30.639 14.396 7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -32.354 14.417 7.288 1.00 0.00 H new ATOM 130 N ILE A 10 -33.278 12.719 5.104 1.00 0.00 N ATOM 131 CA ILE A 10 -34.423 11.971 4.613 1.00 0.00 C ATOM 132 C ILE A 10 -34.029 11.224 3.337 1.00 0.00 C ATOM 133 O ILE A 10 -34.207 10.010 3.245 1.00 0.00 O ATOM 134 CB ILE A 10 -35.630 12.893 4.438 1.00 0.00 C ATOM 135 CG1 ILE A 10 -36.085 13.463 5.784 1.00 0.00 C ATOM 136 CG2 ILE A 10 -36.767 12.176 3.706 1.00 0.00 C ATOM 137 CD1 ILE A 10 -35.555 14.884 5.984 1.00 0.00 C ATOM 0 H ILE A 10 -33.322 13.724 4.938 1.00 0.00 H new ATOM 0 HA ILE A 10 -34.728 11.220 5.341 1.00 0.00 H new ATOM 0 HB ILE A 10 -35.328 13.736 3.817 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -37.174 13.467 5.832 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -35.733 12.822 6.592 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -37.613 12.854 3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -36.423 11.860 2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -37.075 11.302 4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -35.892 15.266 6.948 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -34.465 14.873 5.960 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -35.929 15.527 5.188 1.00 0.00 H new ATOM 149 N SER A 11 -33.503 11.980 2.385 1.00 0.00 N ATOM 150 CA SER A 11 -33.083 11.404 1.119 1.00 0.00 C ATOM 151 C SER A 11 -31.789 10.610 1.308 1.00 0.00 C ATOM 152 O SER A 11 -30.761 10.943 0.721 1.00 0.00 O ATOM 153 CB SER A 11 -32.889 12.490 0.058 1.00 0.00 C ATOM 154 OG SER A 11 -31.903 13.443 0.444 1.00 0.00 O ATOM 0 H SER A 11 -33.358 12.986 2.465 1.00 0.00 H new ATOM 0 HA SER A 11 -33.867 10.731 0.773 1.00 0.00 H new ATOM 0 HB2 SER A 11 -32.597 12.028 -0.885 1.00 0.00 H new ATOM 0 HB3 SER A 11 -33.837 12.999 -0.117 1.00 0.00 H new ATOM 0 HG SER A 11 -31.054 12.984 0.615 1.00 0.00 H new ATOM 160 N LEU A 12 -31.882 9.575 2.131 1.00 0.00 N ATOM 161 CA LEU A 12 -30.732 8.731 2.405 1.00 0.00 C ATOM 162 C LEU A 12 -31.155 7.581 3.321 1.00 0.00 C ATOM 163 O LEU A 12 -31.086 6.416 2.933 1.00 0.00 O ATOM 164 CB LEU A 12 -29.575 9.565 2.960 1.00 0.00 C ATOM 165 CG LEU A 12 -28.397 8.778 3.538 1.00 0.00 C ATOM 166 CD1 LEU A 12 -27.332 8.522 2.471 1.00 0.00 C ATOM 167 CD2 LEU A 12 -27.819 9.481 4.768 1.00 0.00 C ATOM 0 H LEU A 12 -32.736 9.302 2.617 1.00 0.00 H new ATOM 0 HA LEU A 12 -30.360 8.284 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -29.201 10.207 2.162 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -29.966 10.219 3.739 1.00 0.00 H new ATOM 0 HG LEU A 12 -28.764 7.805 3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -26.506 7.961 2.908 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -27.767 7.948 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -26.962 9.474 2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -26.983 8.901 5.159 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -27.471 10.476 4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -28.590 9.568 5.533 1.00 0.00 H new ATOM 179 N ASP A 13 -31.584 7.949 4.519 1.00 0.00 N ATOM 180 CA ASP A 13 -32.018 6.962 5.494 1.00 0.00 C ATOM 181 C ASP A 13 -32.830 5.876 4.786 1.00 0.00 C ATOM 182 O ASP A 13 -32.689 4.693 5.090 1.00 0.00 O ATOM 183 CB ASP A 13 -32.910 7.599 6.562 1.00 0.00 C ATOM 184 CG ASP A 13 -32.208 7.919 7.883 1.00 0.00 C ATOM 185 OD1 ASP A 13 -30.991 8.199 7.826 1.00 0.00 O ATOM 186 OD2 ASP A 13 -32.904 7.877 8.920 1.00 0.00 O ATOM 0 H ASP A 13 -31.641 8.916 4.837 1.00 0.00 H new ATOM 0 HA ASP A 13 -31.131 6.543 5.968 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -33.332 8.520 6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -33.745 6.928 6.765 1.00 0.00 H new ATOM 191 N ARG A 14 -33.663 6.317 3.855 1.00 0.00 N ATOM 192 CA ARG A 14 -34.498 5.397 3.101 1.00 0.00 C ATOM 193 C ARG A 14 -33.649 4.267 2.516 1.00 0.00 C ATOM 194 O ARG A 14 -33.728 3.127 2.971 1.00 0.00 O ATOM 195 CB ARG A 14 -35.226 6.119 1.965 1.00 0.00 C ATOM 196 CG ARG A 14 -36.213 5.182 1.265 1.00 0.00 C ATOM 197 CD ARG A 14 -36.522 5.672 -0.152 1.00 0.00 C ATOM 198 NE ARG A 14 -37.421 4.713 -0.833 1.00 0.00 N ATOM 199 CZ ARG A 14 -37.584 4.652 -2.162 1.00 0.00 C ATOM 200 NH1 ARG A 14 -36.911 5.492 -2.960 1.00 0.00 N ATOM 201 NH2 ARG A 14 -38.421 3.749 -2.693 1.00 0.00 N ATOM 0 H ARG A 14 -33.778 7.299 3.605 1.00 0.00 H new ATOM 0 HA ARG A 14 -35.238 4.983 3.786 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -35.758 6.984 2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -34.500 6.494 1.243 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -35.797 4.175 1.223 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -37.136 5.122 1.842 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -36.989 6.656 -0.112 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -35.597 5.781 -0.718 1.00 0.00 H new ATOM 0 HE ARG A 14 -37.949 4.059 -0.255 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -36.274 6.179 -2.556 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -37.036 5.445 -3.971 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -38.933 3.109 -2.086 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -38.546 3.702 -3.704 1.00 0.00 H new ATOM 215 N TYR A 15 -32.855 4.623 1.517 1.00 0.00 N ATOM 216 CA TYR A 15 -31.992 3.652 0.865 1.00 0.00 C ATOM 217 C TYR A 15 -30.937 3.117 1.836 1.00 0.00 C ATOM 218 O TYR A 15 -30.611 1.931 1.812 1.00 0.00 O ATOM 219 CB TYR A 15 -31.290 4.405 -0.267 1.00 0.00 C ATOM 220 CG TYR A 15 -32.245 5.122 -1.223 1.00 0.00 C ATOM 221 CD1 TYR A 15 -32.880 4.414 -2.223 1.00 0.00 C ATOM 222 CD2 TYR A 15 -32.471 6.476 -1.086 1.00 0.00 C ATOM 223 CE1 TYR A 15 -33.779 5.088 -3.124 1.00 0.00 C ATOM 224 CE2 TYR A 15 -33.370 7.151 -1.987 1.00 0.00 C ATOM 225 CZ TYR A 15 -33.980 6.423 -2.961 1.00 0.00 C ATOM 226 OH TYR A 15 -34.829 7.060 -3.811 1.00 0.00 O ATOM 0 H TYR A 15 -32.791 5.570 1.143 1.00 0.00 H new ATOM 0 HA TYR A 15 -32.573 2.803 0.505 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -30.608 5.137 0.166 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -30.683 3.701 -0.836 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -32.703 3.354 -2.330 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -31.974 7.030 -0.303 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -34.282 4.546 -3.911 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -33.555 8.211 -1.891 1.00 0.00 H new ATOM 0 HH TYR A 15 -34.876 8.010 -3.575 1.00 0.00 H new ATOM 236 N TRP A 16 -30.434 4.018 2.668 1.00 0.00 N ATOM 237 CA TRP A 16 -29.423 3.651 3.645 1.00 0.00 C ATOM 238 C TRP A 16 -29.848 2.331 4.292 1.00 0.00 C ATOM 239 O TRP A 16 -29.073 1.376 4.330 1.00 0.00 O ATOM 240 CB TRP A 16 -29.211 4.774 4.662 1.00 0.00 C ATOM 241 CG TRP A 16 -28.970 4.282 6.091 1.00 0.00 C ATOM 242 CD1 TRP A 16 -29.872 4.104 7.065 1.00 0.00 C ATOM 243 CD2 TRP A 16 -27.701 3.911 6.670 1.00 0.00 C ATOM 244 NE1 TRP A 16 -29.281 3.647 8.225 1.00 0.00 N ATOM 245 CE2 TRP A 16 -27.918 3.525 7.977 1.00 0.00 C ATOM 246 CE3 TRP A 16 -26.413 3.900 6.107 1.00 0.00 C ATOM 247 CZ2 TRP A 16 -26.894 3.102 8.831 1.00 0.00 C ATOM 248 CZ3 TRP A 16 -25.399 3.474 6.974 1.00 0.00 C ATOM 249 CH2 TRP A 16 -25.602 3.083 8.293 1.00 0.00 C ATOM 0 H TRP A 16 -30.708 5.000 2.685 1.00 0.00 H new ATOM 0 HA TRP A 16 -28.456 3.507 3.164 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -28.360 5.378 4.348 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -30.085 5.426 4.656 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -30.929 4.294 6.956 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -29.756 3.437 9.103 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -26.221 4.197 5.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -27.090 2.806 9.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -24.389 3.447 6.592 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -24.766 2.766 8.900 1.00 0.00 H new ATOM 260 N SER A 17 -31.077 2.319 4.785 1.00 0.00 N ATOM 261 CA SER A 17 -31.614 1.132 5.428 1.00 0.00 C ATOM 262 C SER A 17 -31.182 -0.119 4.662 1.00 0.00 C ATOM 263 O SER A 17 -30.669 -1.068 5.254 1.00 0.00 O ATOM 264 CB SER A 17 -33.140 1.198 5.520 1.00 0.00 C ATOM 265 OG SER A 17 -33.591 1.276 6.869 1.00 0.00 O ATOM 0 H SER A 17 -31.717 3.113 4.752 1.00 0.00 H new ATOM 0 HA SER A 17 -31.218 1.084 6.442 1.00 0.00 H new ATOM 0 HB2 SER A 17 -33.499 2.066 4.967 1.00 0.00 H new ATOM 0 HB3 SER A 17 -33.570 0.317 5.044 1.00 0.00 H new ATOM 0 HG SER A 17 -34.570 1.318 6.885 1.00 0.00 H new ATOM 271 N ILE A 18 -31.405 -0.082 3.356 1.00 0.00 N ATOM 272 CA ILE A 18 -31.045 -1.201 2.503 1.00 0.00 C ATOM 273 C ILE A 18 -29.576 -1.562 2.735 1.00 0.00 C ATOM 274 O ILE A 18 -29.258 -2.703 3.066 1.00 0.00 O ATOM 275 CB ILE A 18 -31.378 -0.890 1.043 1.00 0.00 C ATOM 276 CG1 ILE A 18 -32.871 -0.606 0.869 1.00 0.00 C ATOM 277 CG2 ILE A 18 -30.898 -2.012 0.120 1.00 0.00 C ATOM 278 CD1 ILE A 18 -33.708 -1.842 1.206 1.00 0.00 C ATOM 0 H ILE A 18 -31.831 0.706 2.868 1.00 0.00 H new ATOM 0 HA ILE A 18 -31.634 -2.081 2.760 1.00 0.00 H new ATOM 0 HB ILE A 18 -30.842 0.015 0.757 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -33.165 0.223 1.513 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -33.069 -0.297 -0.158 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -31.147 -1.766 -0.912 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -29.818 -2.125 0.216 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -31.386 -2.946 0.398 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -34.765 -1.612 1.074 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -33.429 -2.662 0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -33.526 -2.133 2.241 1.00 0.00 H new ATOM 290 N THR A 19 -28.720 -0.568 2.552 1.00 0.00 N ATOM 291 CA THR A 19 -27.292 -0.766 2.738 1.00 0.00 C ATOM 292 C THR A 19 -27.025 -1.548 4.026 1.00 0.00 C ATOM 293 O THR A 19 -26.243 -2.497 4.029 1.00 0.00 O ATOM 294 CB THR A 19 -26.616 0.607 2.709 1.00 0.00 C ATOM 295 OG1 THR A 19 -26.821 1.067 1.376 1.00 0.00 O ATOM 296 CG2 THR A 19 -25.095 0.513 2.842 1.00 0.00 C ATOM 0 H THR A 19 -28.987 0.377 2.277 1.00 0.00 H new ATOM 0 HA THR A 19 -26.869 -1.369 1.935 1.00 0.00 H new ATOM 0 HB THR A 19 -27.013 1.224 3.515 1.00 0.00 H new ATOM 0 HG1 THR A 19 -26.415 1.953 1.270 1.00 0.00 H new ATOM 0 HG21 THR A 19 -24.665 1.514 2.816 1.00 0.00 H new ATOM 0 HG22 THR A 19 -24.841 0.034 3.788 1.00 0.00 H new ATOM 0 HG23 THR A 19 -24.693 -0.076 2.018 1.00 0.00 H new ATOM 304 N GLN A 20 -27.690 -1.120 5.089 1.00 0.00 N ATOM 305 CA GLN A 20 -27.535 -1.768 6.380 1.00 0.00 C ATOM 306 C GLN A 20 -27.522 -3.289 6.212 1.00 0.00 C ATOM 307 O GLN A 20 -26.659 -3.970 6.763 1.00 0.00 O ATOM 308 CB GLN A 20 -28.636 -1.333 7.348 1.00 0.00 C ATOM 309 CG GLN A 20 -28.087 -1.172 8.767 1.00 0.00 C ATOM 310 CD GLN A 20 -29.011 -0.296 9.616 1.00 0.00 C ATOM 311 OE1 GLN A 20 -30.039 0.183 9.168 1.00 0.00 O ATOM 312 NE2 GLN A 20 -28.587 -0.115 10.864 1.00 0.00 N ATOM 0 H GLN A 20 -28.338 -0.332 5.082 1.00 0.00 H new ATOM 0 HA GLN A 20 -26.580 -1.461 6.806 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -29.068 -0.390 7.013 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -29.439 -2.070 7.346 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -27.980 -2.152 9.233 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -27.093 -0.727 8.728 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -27.716 -0.546 11.174 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -29.133 0.454 11.511 1.00 0.00 H new ATOM 321 N ALA A 21 -28.488 -3.777 5.448 1.00 0.00 N ATOM 322 CA ALA A 21 -28.598 -5.204 5.201 1.00 0.00 C ATOM 323 C ALA A 21 -27.959 -5.534 3.850 1.00 0.00 C ATOM 324 O ALA A 21 -28.599 -6.130 2.986 1.00 0.00 O ATOM 325 CB ALA A 21 -30.069 -5.622 5.267 1.00 0.00 C ATOM 0 H ALA A 21 -29.202 -3.209 4.992 1.00 0.00 H new ATOM 0 HA ALA A 21 -28.064 -5.768 5.966 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -30.152 -6.693 5.082 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -30.468 -5.393 6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -30.636 -5.078 4.511 1.00 0.00 H new ATOM 331 N ILE A 22 -26.704 -5.133 3.712 1.00 0.00 N ATOM 332 CA ILE A 22 -25.971 -5.379 2.482 1.00 0.00 C ATOM 333 C ILE A 22 -24.492 -5.593 2.809 1.00 0.00 C ATOM 334 O ILE A 22 -23.954 -6.676 2.586 1.00 0.00 O ATOM 335 CB ILE A 22 -26.222 -4.254 1.475 1.00 0.00 C ATOM 336 CG1 ILE A 22 -27.664 -4.287 0.964 1.00 0.00 C ATOM 337 CG2 ILE A 22 -25.208 -4.307 0.331 1.00 0.00 C ATOM 338 CD1 ILE A 22 -27.917 -5.535 0.116 1.00 0.00 C ATOM 0 H ILE A 22 -26.176 -4.639 4.432 1.00 0.00 H new ATOM 0 HA ILE A 22 -26.327 -6.291 2.002 1.00 0.00 H new ATOM 0 HB ILE A 22 -26.083 -3.301 1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -28.353 -4.271 1.808 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -27.864 -3.394 0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -25.408 -3.497 -0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -24.200 -4.198 0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -25.292 -5.263 -0.185 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -28.949 -5.534 -0.234 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -27.243 -5.536 -0.741 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -27.739 -6.426 0.718 1.00 0.00 H new ATOM 350 N GLU A 23 -23.876 -4.542 3.331 1.00 0.00 N ATOM 351 CA GLU A 23 -22.470 -4.601 3.691 1.00 0.00 C ATOM 352 C GLU A 23 -22.286 -5.392 4.988 1.00 0.00 C ATOM 353 O GLU A 23 -21.823 -4.850 5.990 1.00 0.00 O ATOM 354 CB GLU A 23 -21.876 -3.197 3.816 1.00 0.00 C ATOM 355 CG GLU A 23 -21.431 -2.665 2.452 1.00 0.00 C ATOM 356 CD GLU A 23 -20.293 -1.654 2.603 1.00 0.00 C ATOM 357 OE1 GLU A 23 -20.594 -0.522 3.039 1.00 0.00 O ATOM 358 OE2 GLU A 23 -19.148 -2.036 2.278 1.00 0.00 O ATOM 0 H GLU A 23 -24.325 -3.645 3.513 1.00 0.00 H new ATOM 0 HA GLU A 23 -21.933 -5.117 2.895 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -22.615 -2.523 4.249 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -21.025 -3.218 4.497 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -21.105 -3.494 1.823 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -22.275 -2.195 1.948 1.00 0.00 H new ATOM 365 N TYR A 24 -22.659 -6.662 4.927 1.00 0.00 N ATOM 366 CA TYR A 24 -22.542 -7.533 6.084 1.00 0.00 C ATOM 367 C TYR A 24 -22.729 -8.999 5.688 1.00 0.00 C ATOM 368 O TYR A 24 -22.002 -9.871 6.161 1.00 0.00 O ATOM 369 CB TYR A 24 -23.669 -7.125 7.034 1.00 0.00 C ATOM 370 CG TYR A 24 -23.183 -6.582 8.380 1.00 0.00 C ATOM 371 CD1 TYR A 24 -22.453 -7.391 9.227 1.00 0.00 C ATOM 372 CD2 TYR A 24 -23.474 -5.284 8.745 1.00 0.00 C ATOM 373 CE1 TYR A 24 -21.996 -6.879 10.493 1.00 0.00 C ATOM 374 CE2 TYR A 24 -23.016 -4.772 10.011 1.00 0.00 C ATOM 375 CZ TYR A 24 -22.300 -5.595 10.823 1.00 0.00 C ATOM 376 OH TYR A 24 -21.867 -5.112 12.018 1.00 0.00 O ATOM 0 H TYR A 24 -23.043 -7.109 4.094 1.00 0.00 H new ATOM 0 HA TYR A 24 -21.556 -7.437 6.539 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -24.283 -6.367 6.548 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -24.310 -7.988 7.212 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -22.225 -8.407 8.941 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -24.045 -4.652 8.082 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -21.424 -7.501 11.166 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -23.236 -3.757 10.309 1.00 0.00 H new ATOM 0 HH TYR A 24 -22.157 -4.181 12.119 1.00 0.00 H new ATOM 386 N ASN A 25 -23.709 -9.225 4.825 1.00 0.00 N ATOM 387 CA ASN A 25 -24.001 -10.570 4.360 1.00 0.00 C ATOM 388 C ASN A 25 -23.478 -10.737 2.932 1.00 0.00 C ATOM 389 O ASN A 25 -24.214 -11.164 2.043 1.00 0.00 O ATOM 390 CB ASN A 25 -25.508 -10.832 4.345 1.00 0.00 C ATOM 391 CG ASN A 25 -26.097 -10.731 5.754 1.00 0.00 C ATOM 392 OD1 ASN A 25 -26.889 -9.856 6.062 1.00 0.00 O ATOM 393 ND2 ASN A 25 -25.666 -11.673 6.588 1.00 0.00 N ATOM 0 H ASN A 25 -24.311 -8.499 4.436 1.00 0.00 H new ATOM 0 HA ASN A 25 -23.519 -11.273 5.039 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -25.999 -10.113 3.689 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -25.704 -11.823 3.935 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -26.000 -11.692 7.552 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -25.002 -12.376 6.264 1.00 0.00 H new ATOM 400 N LEU A 26 -22.211 -10.391 2.755 1.00 0.00 N ATOM 401 CA LEU A 26 -21.581 -10.496 1.450 1.00 0.00 C ATOM 402 C LEU A 26 -20.188 -11.108 1.610 1.00 0.00 C ATOM 403 O LEU A 26 -19.927 -12.204 1.116 1.00 0.00 O ATOM 404 CB LEU A 26 -21.580 -9.139 0.744 1.00 0.00 C ATOM 405 CG LEU A 26 -22.411 -9.049 -0.537 1.00 0.00 C ATOM 406 CD1 LEU A 26 -22.418 -7.621 -1.087 1.00 0.00 C ATOM 407 CD2 LEU A 26 -21.926 -10.061 -1.577 1.00 0.00 C ATOM 0 H LEU A 26 -21.604 -10.038 3.494 1.00 0.00 H new ATOM 0 HA LEU A 26 -22.151 -11.164 0.804 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -21.945 -8.387 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -20.549 -8.877 0.504 1.00 0.00 H new ATOM 0 HG LEU A 26 -23.442 -9.306 -0.294 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -23.016 -7.585 -1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -22.846 -6.947 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -21.397 -7.312 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -22.533 -9.976 -2.478 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -20.883 -9.859 -1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -22.015 -11.069 -1.173 1.00 0.00 H new ATOM 419 N LYS A 27 -19.329 -10.373 2.301 1.00 0.00 N ATOM 420 CA LYS A 27 -17.969 -10.829 2.531 1.00 0.00 C ATOM 421 C LYS A 27 -17.771 -11.093 4.025 1.00 0.00 C ATOM 422 O LYS A 27 -17.014 -10.386 4.689 1.00 0.00 O ATOM 423 CB LYS A 27 -16.964 -9.837 1.943 1.00 0.00 C ATOM 424 CG LYS A 27 -16.912 -9.949 0.418 1.00 0.00 C ATOM 425 CD LYS A 27 -15.710 -9.189 -0.146 1.00 0.00 C ATOM 426 CE LYS A 27 -14.937 -10.050 -1.147 1.00 0.00 C ATOM 427 NZ LYS A 27 -13.498 -9.705 -1.125 1.00 0.00 N ATOM 0 H LYS A 27 -19.549 -9.464 2.709 1.00 0.00 H new ATOM 0 HA LYS A 27 -17.790 -11.771 2.013 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -17.241 -8.822 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.975 -10.026 2.359 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -16.852 -10.998 0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -17.832 -9.552 -0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -16.049 -8.275 -0.633 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -15.050 -8.890 0.668 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -15.068 -11.105 -0.905 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -15.338 -9.901 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.988 -10.299 -1.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.377 -8.703 -1.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.116 -9.870 -0.172 1.00 0.00 H new ATOM 441 N ARG A 28 -18.463 -12.113 4.511 1.00 0.00 N ATOM 442 CA ARG A 28 -18.373 -12.479 5.914 1.00 0.00 C ATOM 443 C ARG A 28 -17.688 -13.839 6.065 1.00 0.00 C ATOM 444 O ARG A 28 -17.669 -14.636 5.128 1.00 0.00 O ATOM 445 CB ARG A 28 -19.759 -12.540 6.558 1.00 0.00 C ATOM 446 CG ARG A 28 -20.648 -13.564 5.851 1.00 0.00 C ATOM 447 CD ARG A 28 -21.985 -13.724 6.577 1.00 0.00 C ATOM 448 NE ARG A 28 -22.703 -14.911 6.060 1.00 0.00 N ATOM 449 CZ ARG A 28 -23.701 -15.527 6.709 1.00 0.00 C ATOM 450 NH1 ARG A 28 -24.106 -15.071 7.902 1.00 0.00 N ATOM 451 NH2 ARG A 28 -24.294 -16.597 6.164 1.00 0.00 N ATOM 0 H ARG A 28 -19.089 -12.698 3.957 1.00 0.00 H new ATOM 0 HA ARG A 28 -17.784 -11.713 6.419 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -19.663 -12.803 7.612 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -20.227 -11.556 6.516 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -20.824 -13.249 4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -20.137 -14.526 5.807 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -21.816 -13.829 7.649 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -22.594 -12.831 6.436 1.00 0.00 H new ATOM 0 HE ARG A 28 -22.421 -15.283 5.153 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -23.655 -14.255 8.316 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -24.865 -15.540 8.396 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -23.986 -16.943 5.255 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -25.053 -17.066 6.658 1.00 0.00 H new ATOM 465 N THR A 29 -17.141 -14.062 7.251 1.00 0.00 N ATOM 466 CA THR A 29 -16.457 -15.312 7.536 1.00 0.00 C ATOM 467 C THR A 29 -16.505 -15.616 9.035 1.00 0.00 C ATOM 468 O THR A 29 -15.474 -15.620 9.705 1.00 0.00 O ATOM 469 CB THR A 29 -15.034 -15.209 6.982 1.00 0.00 C ATOM 470 OG1 THR A 29 -14.444 -16.464 7.307 1.00 0.00 O ATOM 471 CG2 THR A 29 -14.183 -14.189 7.741 1.00 0.00 C ATOM 0 H THR A 29 -17.158 -13.398 8.025 1.00 0.00 H new ATOM 0 HA THR A 29 -16.951 -16.153 7.050 1.00 0.00 H new ATOM 0 HB THR A 29 -15.074 -14.936 5.928 1.00 0.00 H new ATOM 0 HG1 THR A 29 -13.519 -16.485 6.983 1.00 0.00 H new ATOM 0 HG21 THR A 29 -13.183 -14.155 7.308 1.00 0.00 H new ATOM 0 HG22 THR A 29 -14.644 -13.204 7.667 1.00 0.00 H new ATOM 0 HG23 THR A 29 -14.115 -14.480 8.789 1.00 0.00 H new ATOM 479 N PRO A 30 -17.746 -15.870 9.530 1.00 0.00 N ATOM 480 CA PRO A 30 -17.942 -16.174 10.937 1.00 0.00 C ATOM 481 C PRO A 30 -17.485 -17.599 11.259 1.00 0.00 C ATOM 482 O PRO A 30 -17.011 -18.316 10.379 1.00 0.00 O ATOM 483 CB PRO A 30 -19.427 -15.957 11.183 1.00 0.00 C ATOM 484 CG PRO A 30 -20.086 -15.992 9.814 1.00 0.00 C ATOM 485 CD PRO A 30 -18.990 -15.874 8.766 1.00 0.00 C ATOM 0 HA PRO A 30 -17.346 -15.538 11.592 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -19.833 -16.733 11.832 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -19.605 -15.002 11.678 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -20.642 -16.920 9.682 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -20.800 -15.175 9.713 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -19.021 -16.708 8.065 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -19.098 -14.961 8.181 1.00 0.00 H new ATOM 493 N ARG A 31 -17.643 -17.965 12.522 1.00 0.00 N ATOM 494 CA ARG A 31 -17.252 -19.291 12.971 1.00 0.00 C ATOM 495 C ARG A 31 -18.485 -20.097 13.383 1.00 0.00 C ATOM 496 O ARG A 31 -19.382 -19.573 14.042 1.00 0.00 O ATOM 497 CB ARG A 31 -16.286 -19.209 14.155 1.00 0.00 C ATOM 498 CG ARG A 31 -14.856 -19.539 13.720 1.00 0.00 C ATOM 499 CD ARG A 31 -13.911 -19.569 14.922 1.00 0.00 C ATOM 500 NE ARG A 31 -13.797 -18.215 15.510 1.00 0.00 N ATOM 501 CZ ARG A 31 -13.402 -17.973 16.768 1.00 0.00 C ATOM 502 NH1 ARG A 31 -13.080 -18.992 17.577 1.00 0.00 N ATOM 503 NH2 ARG A 31 -13.328 -16.713 17.216 1.00 0.00 N ATOM 0 H ARG A 31 -18.036 -17.367 13.249 1.00 0.00 H new ATOM 0 HA ARG A 31 -16.750 -19.787 12.141 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -16.317 -18.208 14.586 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -16.602 -19.902 14.935 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -14.839 -20.505 13.215 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -14.511 -18.797 13.000 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -14.283 -20.269 15.670 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -12.928 -19.924 14.613 1.00 0.00 H new ATOM 0 HE ARG A 31 -14.034 -17.416 14.921 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -13.135 -19.952 17.235 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -12.779 -18.808 18.534 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -13.572 -15.938 16.600 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -13.027 -16.529 18.173 1.00 0.00 H new ATOM 517 N ARG A 32 -18.491 -21.358 12.977 1.00 0.00 N ATOM 518 CA ARG A 32 -19.599 -22.242 13.295 1.00 0.00 C ATOM 519 C ARG A 32 -19.092 -23.488 14.023 1.00 0.00 C ATOM 520 O ARG A 32 -19.767 -24.012 14.908 1.00 0.00 O ATOM 521 CB ARG A 32 -20.346 -22.667 12.030 1.00 0.00 C ATOM 522 CG ARG A 32 -21.849 -22.419 12.170 1.00 0.00 C ATOM 523 CD ARG A 32 -22.650 -23.409 11.323 1.00 0.00 C ATOM 524 NE ARG A 32 -23.636 -22.683 10.491 1.00 0.00 N ATOM 525 CZ ARG A 32 -24.178 -23.174 9.368 1.00 0.00 C ATOM 526 NH1 ARG A 32 -23.834 -24.395 8.936 1.00 0.00 N ATOM 527 NH2 ARG A 32 -25.064 -22.444 8.678 1.00 0.00 N ATOM 0 H ARG A 32 -17.745 -21.789 12.430 1.00 0.00 H new ATOM 0 HA ARG A 32 -20.285 -21.694 13.941 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -19.961 -22.114 11.173 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -20.165 -23.724 11.835 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -22.140 -22.511 13.216 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -22.083 -21.400 11.863 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -21.977 -23.983 10.686 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -23.162 -24.122 11.969 1.00 0.00 H new ATOM 0 HE ARG A 32 -23.921 -21.751 10.791 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -23.160 -24.951 9.462 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -24.247 -24.769 8.081 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -25.326 -21.515 9.007 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -25.477 -22.817 7.823 1.00 0.00 H new TER 541 ARG A 32