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+ 172:sc= 0.00493 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.00446 USER MOD Single : A 2 SER OG : rot -33:sc= 0.048 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.0439 X(o=-0.044,f=-0.22) 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 -99:sc= 0.17 USER MOD Single : A 20 GLN : amide:sc= -1.59 K(o=-1.6,f=-3.1!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0352 X(o=-0.035,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 -29.229 26.736 4.202 1.00 0.00 N ATOM 2 CA THR A 1 -28.096 26.247 4.969 1.00 0.00 C ATOM 3 C THR A 1 -28.524 25.089 5.873 1.00 0.00 C ATOM 4 O THR A 1 -28.005 23.980 5.755 1.00 0.00 O ATOM 5 CB THR A 1 -27.500 27.428 5.737 1.00 0.00 C ATOM 6 OG1 THR A 1 -26.930 28.250 4.722 1.00 0.00 O ATOM 7 CG2 THR A 1 -26.304 27.021 6.601 1.00 0.00 C ATOM 0 H1 THR A 1 -28.958 27.604 3.697 1.00 0.00 H new ATOM 0 H2 THR A 1 -29.521 26.012 3.515 1.00 0.00 H new ATOM 0 H3 THR A 1 -30.020 26.942 4.845 1.00 0.00 H new ATOM 0 HA THR A 1 -27.323 25.841 4.317 1.00 0.00 H new ATOM 0 HB THR A 1 -28.268 27.875 6.368 1.00 0.00 H new ATOM 0 HG1 THR A 1 -26.522 29.041 5.132 1.00 0.00 H new ATOM 0 HG21 THR A 1 -25.919 27.896 7.125 1.00 0.00 H new ATOM 0 HG22 THR A 1 -26.618 26.272 7.328 1.00 0.00 H new ATOM 0 HG23 THR A 1 -25.522 26.604 5.966 1.00 0.00 H new ATOM 15 N SER A 2 -29.468 25.386 6.755 1.00 0.00 N ATOM 16 CA SER A 2 -29.972 24.384 7.678 1.00 0.00 C ATOM 17 C SER A 2 -31.112 23.598 7.026 1.00 0.00 C ATOM 18 O SER A 2 -31.488 22.530 7.506 1.00 0.00 O ATOM 19 CB SER A 2 -30.447 25.026 8.983 1.00 0.00 C ATOM 20 OG SER A 2 -30.848 24.052 9.942 1.00 0.00 O ATOM 0 H SER A 2 -29.897 26.307 6.849 1.00 0.00 H new ATOM 0 HA SER A 2 -29.158 23.699 7.917 1.00 0.00 H new ATOM 0 HB2 SER A 2 -29.646 25.636 9.399 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.282 25.695 8.775 1.00 0.00 H new ATOM 0 HG SER A 2 -31.241 23.281 9.481 1.00 0.00 H new ATOM 26 N SER A 3 -31.631 24.159 5.943 1.00 0.00 N ATOM 27 CA SER A 3 -32.720 23.525 5.221 1.00 0.00 C ATOM 28 C SER A 3 -32.162 22.617 4.123 1.00 0.00 C ATOM 29 O SER A 3 -32.673 22.605 3.004 1.00 0.00 O ATOM 30 CB SER A 3 -33.663 24.568 4.619 1.00 0.00 C ATOM 31 OG SER A 3 -34.993 24.073 4.486 1.00 0.00 O ATOM 0 H SER A 3 -31.317 25.046 5.549 1.00 0.00 H new ATOM 0 HA SER A 3 -33.292 22.922 5.926 1.00 0.00 H new ATOM 0 HB2 SER A 3 -33.669 25.458 5.249 1.00 0.00 H new ATOM 0 HB3 SER A 3 -33.290 24.872 3.641 1.00 0.00 H new ATOM 0 HG SER A 3 -35.564 24.769 4.100 1.00 0.00 H new ATOM 37 N ILE A 4 -31.121 21.880 4.481 1.00 0.00 N ATOM 38 CA ILE A 4 -30.489 20.971 3.540 1.00 0.00 C ATOM 39 C ILE A 4 -30.076 19.692 4.271 1.00 0.00 C ATOM 40 O ILE A 4 -30.530 18.602 3.927 1.00 0.00 O ATOM 41 CB ILE A 4 -29.333 21.667 2.819 1.00 0.00 C ATOM 42 CG1 ILE A 4 -29.818 22.920 2.086 1.00 0.00 C ATOM 43 CG2 ILE A 4 -28.609 20.699 1.881 1.00 0.00 C ATOM 44 CD1 ILE A 4 -28.639 23.723 1.534 1.00 0.00 C ATOM 0 H ILE A 4 -30.699 21.894 5.410 1.00 0.00 H new ATOM 0 HA ILE A 4 -31.193 20.680 2.760 1.00 0.00 H new ATOM 0 HB ILE A 4 -28.610 21.991 3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -30.482 22.634 1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -30.399 23.542 2.767 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -27.792 21.219 1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -28.209 19.865 2.457 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -29.309 20.323 1.135 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -29.011 24.608 1.018 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -27.990 24.028 2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -28.074 23.106 0.835 1.00 0.00 H new ATOM 56 N VAL A 5 -29.219 19.868 5.267 1.00 0.00 N ATOM 57 CA VAL A 5 -28.741 18.741 6.049 1.00 0.00 C ATOM 58 C VAL A 5 -29.901 17.779 6.313 1.00 0.00 C ATOM 59 O VAL A 5 -29.861 16.623 5.893 1.00 0.00 O ATOM 60 CB VAL A 5 -28.075 19.241 7.333 1.00 0.00 C ATOM 61 CG1 VAL A 5 -27.824 18.086 8.306 1.00 0.00 C ATOM 62 CG2 VAL A 5 -26.777 19.988 7.023 1.00 0.00 C ATOM 0 H VAL A 5 -28.844 20.773 5.550 1.00 0.00 H new ATOM 0 HA VAL A 5 -27.981 18.188 5.497 1.00 0.00 H new ATOM 0 HB VAL A 5 -28.758 19.942 7.813 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -27.350 18.468 9.210 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -28.773 17.616 8.565 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -27.170 17.351 7.837 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -26.324 20.332 7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -26.086 19.319 6.509 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -26.994 20.845 6.386 1.00 0.00 H new ATOM 72 N HIS A 6 -30.907 18.291 7.006 1.00 0.00 N ATOM 73 CA HIS A 6 -32.076 17.491 7.330 1.00 0.00 C ATOM 74 C HIS A 6 -32.544 16.738 6.084 1.00 0.00 C ATOM 75 O HIS A 6 -32.598 15.509 6.080 1.00 0.00 O ATOM 76 CB HIS A 6 -33.174 18.360 7.946 1.00 0.00 C ATOM 77 CG HIS A 6 -33.955 17.677 9.043 1.00 0.00 C ATOM 78 ND1 HIS A 6 -33.354 17.136 10.166 1.00 0.00 N ATOM 79 CD2 HIS A 6 -35.294 17.453 9.177 1.00 0.00 C ATOM 80 CE1 HIS A 6 -34.298 16.613 10.935 1.00 0.00 C ATOM 81 NE2 HIS A 6 -35.499 16.809 10.320 1.00 0.00 N ATOM 0 H HIS A 6 -30.937 19.250 7.352 1.00 0.00 H new ATOM 0 HA HIS A 6 -31.816 16.748 8.084 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -32.723 19.268 8.347 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -33.864 18.667 7.160 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -36.058 17.749 8.473 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -34.143 16.118 11.883 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -36.406 16.510 10.679 1.00 0.00 H new ATOM 90 N LEU A 7 -32.871 17.507 5.055 1.00 0.00 N ATOM 91 CA LEU A 7 -33.333 16.928 3.805 1.00 0.00 C ATOM 92 C LEU A 7 -32.347 15.849 3.353 1.00 0.00 C ATOM 93 O LEU A 7 -32.740 14.713 3.094 1.00 0.00 O ATOM 94 CB LEU A 7 -33.569 18.022 2.762 1.00 0.00 C ATOM 95 CG LEU A 7 -34.896 18.777 2.870 1.00 0.00 C ATOM 96 CD1 LEU A 7 -34.821 20.122 2.146 1.00 0.00 C ATOM 97 CD2 LEU A 7 -36.057 17.918 2.366 1.00 0.00 C ATOM 0 H LEU A 7 -32.825 18.526 5.062 1.00 0.00 H new ATOM 0 HA LEU A 7 -34.298 16.440 3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -32.756 18.745 2.832 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -33.510 17.571 1.772 1.00 0.00 H new ATOM 0 HG LEU A 7 -35.085 18.988 3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -35.777 20.638 2.238 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -34.035 20.732 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -34.598 19.956 1.092 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -36.988 18.478 2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -35.888 17.655 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -36.123 17.009 2.963 1.00 0.00 H new ATOM 109 N CYS A 8 -31.085 16.243 3.271 1.00 0.00 N ATOM 110 CA CYS A 8 -30.039 15.324 2.854 1.00 0.00 C ATOM 111 C CYS A 8 -30.142 14.060 3.709 1.00 0.00 C ATOM 112 O CYS A 8 -29.775 12.974 3.263 1.00 0.00 O ATOM 113 CB CYS A 8 -28.653 15.965 2.946 1.00 0.00 C ATOM 114 SG CYS A 8 -27.707 15.635 1.415 1.00 0.00 S ATOM 0 H CYS A 8 -30.763 17.186 3.486 1.00 0.00 H new ATOM 0 HA CYS A 8 -30.177 15.064 1.805 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -28.750 17.040 3.099 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -28.116 15.568 3.808 1.00 0.00 H new ATOM 0 HG CYS A 8 -26.533 16.186 1.503 1.00 0.00 H new ATOM 120 N ALA A 9 -30.643 14.243 4.921 1.00 0.00 N ATOM 121 CA ALA A 9 -30.799 13.130 5.843 1.00 0.00 C ATOM 122 C ALA A 9 -32.184 12.508 5.654 1.00 0.00 C ATOM 123 O ALA A 9 -32.926 12.333 6.619 1.00 0.00 O ATOM 124 CB ALA A 9 -30.568 13.617 7.275 1.00 0.00 C ATOM 0 H ALA A 9 -30.947 15.145 5.287 1.00 0.00 H new ATOM 0 HA ALA A 9 -30.059 12.356 5.639 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -30.685 12.783 7.966 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -29.560 14.023 7.363 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -31.294 14.393 7.517 1.00 0.00 H new ATOM 130 N ILE A 10 -32.490 12.190 4.405 1.00 0.00 N ATOM 131 CA ILE A 10 -33.772 11.591 4.078 1.00 0.00 C ATOM 132 C ILE A 10 -33.575 10.540 2.983 1.00 0.00 C ATOM 133 O ILE A 10 -33.998 9.395 3.134 1.00 0.00 O ATOM 134 CB ILE A 10 -34.792 12.672 3.715 1.00 0.00 C ATOM 135 CG1 ILE A 10 -34.960 13.674 4.860 1.00 0.00 C ATOM 136 CG2 ILE A 10 -36.126 12.050 3.298 1.00 0.00 C ATOM 137 CD1 ILE A 10 -35.696 13.039 6.041 1.00 0.00 C ATOM 0 H ILE A 10 -31.872 12.336 3.607 1.00 0.00 H new ATOM 0 HA ILE A 10 -34.183 11.075 4.946 1.00 0.00 H new ATOM 0 HB ILE A 10 -34.412 13.225 2.856 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -33.982 14.028 5.185 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -35.513 14.545 4.508 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -36.833 12.840 3.045 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -35.973 11.409 2.430 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -36.524 11.457 4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -35.802 13.772 6.840 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -36.683 12.708 5.719 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -35.128 12.183 6.406 1.00 0.00 H new ATOM 149 N SER A 11 -32.933 10.967 1.906 1.00 0.00 N ATOM 150 CA SER A 11 -32.674 10.078 0.787 1.00 0.00 C ATOM 151 C SER A 11 -31.499 9.153 1.113 1.00 0.00 C ATOM 152 O SER A 11 -31.552 7.956 0.839 1.00 0.00 O ATOM 153 CB SER A 11 -32.388 10.869 -0.491 1.00 0.00 C ATOM 154 OG SER A 11 -32.958 10.249 -1.641 1.00 0.00 O ATOM 0 H SER A 11 -32.584 11.918 1.785 1.00 0.00 H new ATOM 0 HA SER A 11 -33.566 9.475 0.617 1.00 0.00 H new ATOM 0 HB2 SER A 11 -32.785 11.879 -0.389 1.00 0.00 H new ATOM 0 HB3 SER A 11 -31.310 10.963 -0.626 1.00 0.00 H new ATOM 0 HG SER A 11 -32.755 10.785 -2.436 1.00 0.00 H new ATOM 160 N LEU A 12 -30.466 9.745 1.695 1.00 0.00 N ATOM 161 CA LEU A 12 -29.280 8.990 2.062 1.00 0.00 C ATOM 162 C LEU A 12 -29.667 7.893 3.055 1.00 0.00 C ATOM 163 O LEU A 12 -29.490 6.708 2.776 1.00 0.00 O ATOM 164 CB LEU A 12 -28.186 9.928 2.576 1.00 0.00 C ATOM 165 CG LEU A 12 -27.049 9.266 3.357 1.00 0.00 C ATOM 166 CD1 LEU A 12 -26.105 8.512 2.419 1.00 0.00 C ATOM 167 CD2 LEU A 12 -26.305 10.291 4.217 1.00 0.00 C ATOM 0 H LEU A 12 -30.426 10.739 1.921 1.00 0.00 H new ATOM 0 HA LEU A 12 -28.857 8.494 1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -27.757 10.455 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -28.650 10.680 3.215 1.00 0.00 H new ATOM 0 HG LEU A 12 -27.483 8.531 4.035 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -25.306 8.051 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -26.660 7.739 1.888 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -25.675 9.208 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -25.502 9.795 4.762 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -25.884 11.066 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -26.999 10.743 4.926 1.00 0.00 H new ATOM 179 N ASP A 13 -30.188 8.326 4.194 1.00 0.00 N ATOM 180 CA ASP A 13 -30.601 7.395 5.230 1.00 0.00 C ATOM 181 C ASP A 13 -31.405 6.258 4.597 1.00 0.00 C ATOM 182 O ASP A 13 -31.114 5.085 4.826 1.00 0.00 O ATOM 183 CB ASP A 13 -31.491 8.084 6.267 1.00 0.00 C ATOM 184 CG ASP A 13 -31.556 7.388 7.628 1.00 0.00 C ATOM 185 OD1 ASP A 13 -30.667 7.678 8.457 1.00 0.00 O ATOM 186 OD2 ASP A 13 -32.494 6.582 7.808 1.00 0.00 O ATOM 0 H ASP A 13 -30.333 9.310 4.422 1.00 0.00 H new ATOM 0 HA ASP A 13 -29.704 7.016 5.720 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -31.131 9.102 6.413 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -32.501 8.158 5.865 1.00 0.00 H new ATOM 191 N ARG A 14 -32.401 6.646 3.814 1.00 0.00 N ATOM 192 CA ARG A 14 -33.250 5.673 3.146 1.00 0.00 C ATOM 193 C ARG A 14 -32.407 4.518 2.602 1.00 0.00 C ATOM 194 O ARG A 14 -32.760 3.352 2.775 1.00 0.00 O ATOM 195 CB ARG A 14 -34.024 6.317 1.994 1.00 0.00 C ATOM 196 CG ARG A 14 -35.531 6.127 2.173 1.00 0.00 C ATOM 197 CD ARG A 14 -36.170 5.577 0.896 1.00 0.00 C ATOM 198 NE ARG A 14 -37.640 5.513 1.052 1.00 0.00 N ATOM 199 CZ ARG A 14 -38.499 5.380 0.032 1.00 0.00 C ATOM 200 NH1 ARG A 14 -38.040 5.297 -1.224 1.00 0.00 N ATOM 201 NH2 ARG A 14 -39.817 5.331 0.268 1.00 0.00 N ATOM 0 H ARG A 14 -32.639 7.620 3.627 1.00 0.00 H new ATOM 0 HA ARG A 14 -33.961 5.294 3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -33.791 7.381 1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -33.708 5.877 1.048 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -35.719 5.444 3.001 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -35.993 7.079 2.434 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -35.913 6.213 0.048 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -35.775 4.584 0.681 1.00 0.00 H new ATOM 0 HE ARG A 14 -38.024 5.574 1.995 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -37.037 5.335 -1.404 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -38.694 5.196 -2.000 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -40.167 5.395 1.224 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -40.471 5.230 -0.508 1.00 0.00 H new ATOM 215 N TYR A 15 -31.309 4.882 1.956 1.00 0.00 N ATOM 216 CA TYR A 15 -30.413 3.890 1.386 1.00 0.00 C ATOM 217 C TYR A 15 -29.522 3.271 2.465 1.00 0.00 C ATOM 218 O TYR A 15 -29.219 2.080 2.417 1.00 0.00 O ATOM 219 CB TYR A 15 -29.534 4.642 0.384 1.00 0.00 C ATOM 220 CG TYR A 15 -30.300 5.211 -0.812 1.00 0.00 C ATOM 221 CD1 TYR A 15 -31.077 4.379 -1.592 1.00 0.00 C ATOM 222 CD2 TYR A 15 -30.214 6.555 -1.110 1.00 0.00 C ATOM 223 CE1 TYR A 15 -31.798 4.914 -2.718 1.00 0.00 C ATOM 224 CE2 TYR A 15 -30.935 7.091 -2.236 1.00 0.00 C ATOM 225 CZ TYR A 15 -31.692 6.244 -2.984 1.00 0.00 C ATOM 226 OH TYR A 15 -32.373 6.749 -4.047 1.00 0.00 O ATOM 0 H TYR A 15 -31.020 5.850 1.815 1.00 0.00 H new ATOM 0 HA TYR A 15 -30.980 3.083 0.922 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -29.029 5.458 0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -28.759 3.968 0.019 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -31.144 3.327 -1.358 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -29.606 7.206 -0.499 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -32.409 4.274 -3.337 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -30.876 8.141 -2.481 1.00 0.00 H new ATOM 0 HH TYR A 15 -32.205 7.712 -4.116 1.00 0.00 H new ATOM 236 N TRP A 16 -29.127 4.109 3.412 1.00 0.00 N ATOM 237 CA TRP A 16 -28.276 3.659 4.501 1.00 0.00 C ATOM 238 C TRP A 16 -28.823 2.322 5.007 1.00 0.00 C ATOM 239 O TRP A 16 -28.157 1.294 4.897 1.00 0.00 O ATOM 240 CB TRP A 16 -28.183 4.721 5.599 1.00 0.00 C ATOM 241 CG TRP A 16 -27.411 4.267 6.840 1.00 0.00 C ATOM 242 CD1 TRP A 16 -27.824 4.270 8.115 1.00 0.00 C ATOM 243 CD2 TRP A 16 -26.068 3.741 6.872 1.00 0.00 C ATOM 244 NE1 TRP A 16 -26.849 3.786 8.963 1.00 0.00 N ATOM 245 CE2 TRP A 16 -25.747 3.455 8.183 1.00 0.00 C ATOM 246 CE3 TRP A 16 -25.154 3.515 5.828 1.00 0.00 C ATOM 247 CZ2 TRP A 16 -24.510 2.926 8.572 1.00 0.00 C ATOM 248 CZ3 TRP A 16 -23.922 2.987 6.233 1.00 0.00 C ATOM 249 CH2 TRP A 16 -23.584 2.693 7.548 1.00 0.00 C ATOM 0 H TRP A 16 -29.380 5.096 3.448 1.00 0.00 H new ATOM 0 HA TRP A 16 -27.254 3.508 4.155 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -27.703 5.610 5.190 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -29.191 5.011 5.896 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -28.797 4.609 8.438 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -26.923 3.689 9.976 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -25.384 3.732 4.795 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -24.283 2.710 9.605 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -23.183 2.795 5.470 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -22.611 2.286 7.780 1.00 0.00 H new ATOM 260 N SER A 17 -30.029 2.381 5.551 1.00 0.00 N ATOM 261 CA SER A 17 -30.673 1.188 6.074 1.00 0.00 C ATOM 262 C SER A 17 -30.610 0.063 5.039 1.00 0.00 C ATOM 263 O SER A 17 -30.139 -1.034 5.337 1.00 0.00 O ATOM 264 CB SER A 17 -32.125 1.471 6.463 1.00 0.00 C ATOM 265 OG SER A 17 -32.610 0.541 7.429 1.00 0.00 O ATOM 0 H SER A 17 -30.578 3.236 5.641 1.00 0.00 H new ATOM 0 HA SER A 17 -30.139 0.877 6.972 1.00 0.00 H new ATOM 0 HB2 SER A 17 -32.203 2.482 6.862 1.00 0.00 H new ATOM 0 HB3 SER A 17 -32.753 1.430 5.573 1.00 0.00 H new ATOM 0 HG SER A 17 -33.540 0.756 7.653 1.00 0.00 H new ATOM 271 N ILE A 18 -31.093 0.373 3.845 1.00 0.00 N ATOM 272 CA ILE A 18 -31.097 -0.598 2.764 1.00 0.00 C ATOM 273 C ILE A 18 -29.737 -1.296 2.706 1.00 0.00 C ATOM 274 O ILE A 18 -29.644 -2.502 2.928 1.00 0.00 O ATOM 275 CB ILE A 18 -31.505 0.067 1.448 1.00 0.00 C ATOM 276 CG1 ILE A 18 -32.999 0.395 1.439 1.00 0.00 C ATOM 277 CG2 ILE A 18 -31.099 -0.794 0.250 1.00 0.00 C ATOM 278 CD1 ILE A 18 -33.352 1.311 0.265 1.00 0.00 C ATOM 0 H ILE A 18 -31.484 1.283 3.602 1.00 0.00 H new ATOM 0 HA ILE A 18 -31.844 -1.370 2.948 1.00 0.00 H new ATOM 0 HB ILE A 18 -30.968 1.012 1.362 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -33.577 -0.527 1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -33.275 0.877 2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -31.401 -0.299 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -30.018 -0.932 0.251 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -31.589 -1.765 0.317 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -34.420 1.529 0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -32.790 2.242 0.348 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -33.097 0.816 -0.672 1.00 0.00 H new ATOM 290 N THR A 19 -28.716 -0.507 2.405 1.00 0.00 N ATOM 291 CA THR A 19 -27.365 -1.035 2.314 1.00 0.00 C ATOM 292 C THR A 19 -26.974 -1.729 3.620 1.00 0.00 C ATOM 293 O THR A 19 -26.282 -2.745 3.604 1.00 0.00 O ATOM 294 CB THR A 19 -26.432 0.118 1.936 1.00 0.00 C ATOM 295 OG1 THR A 19 -26.925 1.224 2.686 1.00 0.00 O ATOM 296 CG2 THR A 19 -26.599 0.552 0.478 1.00 0.00 C ATOM 0 H THR A 19 -28.797 0.493 2.221 1.00 0.00 H new ATOM 0 HA THR A 19 -27.291 -1.800 1.541 1.00 0.00 H new ATOM 0 HB THR A 19 -25.398 -0.180 2.110 1.00 0.00 H new ATOM 0 HG1 THR A 19 -27.487 1.784 2.111 1.00 0.00 H new ATOM 0 HG21 THR A 19 -25.914 1.372 0.262 1.00 0.00 H new ATOM 0 HG22 THR A 19 -26.377 -0.289 -0.180 1.00 0.00 H new ATOM 0 HG23 THR A 19 -27.624 0.882 0.312 1.00 0.00 H new ATOM 304 N GLN A 20 -27.436 -1.152 4.720 1.00 0.00 N ATOM 305 CA GLN A 20 -27.143 -1.703 6.033 1.00 0.00 C ATOM 306 C GLN A 20 -27.471 -3.197 6.067 1.00 0.00 C ATOM 307 O GLN A 20 -26.614 -4.016 6.395 1.00 0.00 O ATOM 308 CB GLN A 20 -27.905 -0.950 7.125 1.00 0.00 C ATOM 309 CG GLN A 20 -27.149 -0.999 8.455 1.00 0.00 C ATOM 310 CD GLN A 20 -27.623 -2.175 9.311 1.00 0.00 C ATOM 311 OE1 GLN A 20 -27.238 -3.316 9.113 1.00 0.00 O ATOM 312 NE2 GLN A 20 -28.477 -1.835 10.272 1.00 0.00 N ATOM 0 H GLN A 20 -28.011 -0.309 4.729 1.00 0.00 H new ATOM 0 HA GLN A 20 -26.078 -1.580 6.228 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -28.050 0.087 6.823 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -28.896 -1.387 7.249 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -26.079 -1.090 8.266 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -27.299 -0.066 8.998 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -28.758 -0.861 10.383 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -28.851 -2.548 10.898 1.00 0.00 H new ATOM 321 N ALA A 21 -28.712 -3.506 5.723 1.00 0.00 N ATOM 322 CA ALA A 21 -29.163 -4.887 5.710 1.00 0.00 C ATOM 323 C ALA A 21 -28.862 -5.505 4.342 1.00 0.00 C ATOM 324 O ALA A 21 -29.728 -6.134 3.737 1.00 0.00 O ATOM 325 CB ALA A 21 -30.652 -4.942 6.059 1.00 0.00 C ATOM 0 H ALA A 21 -29.420 -2.824 5.451 1.00 0.00 H new ATOM 0 HA ALA A 21 -28.630 -5.471 6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -30.990 -5.978 6.049 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -30.809 -4.519 7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -31.219 -4.368 5.326 1.00 0.00 H new ATOM 331 N ILE A 22 -27.631 -5.303 3.896 1.00 0.00 N ATOM 332 CA ILE A 22 -27.204 -5.832 2.612 1.00 0.00 C ATOM 333 C ILE A 22 -25.731 -6.236 2.695 1.00 0.00 C ATOM 334 O ILE A 22 -25.363 -7.339 2.294 1.00 0.00 O ATOM 335 CB ILE A 22 -27.506 -4.832 1.494 1.00 0.00 C ATOM 336 CG1 ILE A 22 -29.011 -4.725 1.244 1.00 0.00 C ATOM 337 CG2 ILE A 22 -26.737 -5.187 0.219 1.00 0.00 C ATOM 338 CD1 ILE A 22 -29.329 -3.569 0.295 1.00 0.00 C ATOM 0 H ILE A 22 -26.916 -4.780 4.401 1.00 0.00 H new ATOM 0 HA ILE A 22 -27.767 -6.732 2.364 1.00 0.00 H new ATOM 0 HB ILE A 22 -27.163 -3.848 1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -29.380 -5.659 0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -29.531 -4.576 2.191 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -26.969 -4.461 -0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -25.666 -5.170 0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -27.027 -6.183 -0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -30.406 -3.516 0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -28.980 -2.633 0.732 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -28.828 -3.733 -0.659 1.00 0.00 H new ATOM 350 N GLU A 23 -24.928 -5.321 3.218 1.00 0.00 N ATOM 351 CA GLU A 23 -23.503 -5.568 3.359 1.00 0.00 C ATOM 352 C GLU A 23 -23.259 -6.732 4.322 1.00 0.00 C ATOM 353 O GLU A 23 -22.234 -7.407 4.238 1.00 0.00 O ATOM 354 CB GLU A 23 -22.772 -4.308 3.824 1.00 0.00 C ATOM 355 CG GLU A 23 -21.274 -4.400 3.523 1.00 0.00 C ATOM 356 CD GLU A 23 -20.878 -3.428 2.410 1.00 0.00 C ATOM 357 OE1 GLU A 23 -21.514 -2.354 2.341 1.00 0.00 O ATOM 358 OE2 GLU A 23 -19.949 -3.781 1.652 1.00 0.00 O ATOM 0 H GLU A 23 -25.237 -4.407 3.549 1.00 0.00 H new ATOM 0 HA GLU A 23 -23.102 -5.840 2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -23.193 -3.434 3.327 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -22.924 -4.169 4.894 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -20.704 -4.178 4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -21.020 -5.418 3.229 1.00 0.00 H new ATOM 365 N TYR A 24 -24.218 -6.930 5.215 1.00 0.00 N ATOM 366 CA TYR A 24 -24.119 -8.000 6.193 1.00 0.00 C ATOM 367 C TYR A 24 -23.829 -9.339 5.513 1.00 0.00 C ATOM 368 O TYR A 24 -22.970 -10.095 5.965 1.00 0.00 O ATOM 369 CB TYR A 24 -25.487 -8.074 6.876 1.00 0.00 C ATOM 370 CG TYR A 24 -25.540 -7.381 8.239 1.00 0.00 C ATOM 371 CD1 TYR A 24 -25.373 -6.014 8.326 1.00 0.00 C ATOM 372 CD2 TYR A 24 -25.755 -8.124 9.382 1.00 0.00 C ATOM 373 CE1 TYR A 24 -25.423 -5.362 9.609 1.00 0.00 C ATOM 374 CE2 TYR A 24 -25.805 -7.472 10.665 1.00 0.00 C ATOM 375 CZ TYR A 24 -25.636 -6.124 10.715 1.00 0.00 C ATOM 376 OH TYR A 24 -25.684 -5.508 11.927 1.00 0.00 O ATOM 0 H TYR A 24 -25.067 -6.368 5.282 1.00 0.00 H new ATOM 0 HA TYR A 24 -23.310 -7.804 6.897 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -26.233 -7.624 6.222 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -25.763 -9.121 7.001 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -25.205 -5.433 7.431 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -25.886 -9.194 9.314 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -25.294 -4.293 9.691 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -25.973 -8.041 11.567 1.00 0.00 H new ATOM 0 HH TYR A 24 -25.844 -6.175 12.627 1.00 0.00 H new ATOM 386 N ASN A 25 -24.562 -9.592 4.439 1.00 0.00 N ATOM 387 CA ASN A 25 -24.393 -10.828 3.692 1.00 0.00 C ATOM 388 C ASN A 25 -23.804 -10.510 2.316 1.00 0.00 C ATOM 389 O ASN A 25 -24.476 -10.670 1.298 1.00 0.00 O ATOM 390 CB ASN A 25 -25.736 -11.531 3.481 1.00 0.00 C ATOM 391 CG ASN A 25 -26.044 -12.483 4.639 1.00 0.00 C ATOM 392 OD1 ASN A 25 -25.922 -13.692 4.530 1.00 0.00 O ATOM 393 ND2 ASN A 25 -26.448 -11.873 5.749 1.00 0.00 N ATOM 0 H ASN A 25 -25.274 -8.963 4.068 1.00 0.00 H new ATOM 0 HA ASN A 25 -23.730 -11.479 4.262 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -26.530 -10.789 3.395 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -25.716 -12.087 2.544 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -26.678 -12.422 6.578 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -26.528 -10.856 5.772 1.00 0.00 H new ATOM 400 N LEU A 26 -22.556 -10.068 2.330 1.00 0.00 N ATOM 401 CA LEU A 26 -21.869 -9.727 1.096 1.00 0.00 C ATOM 402 C LEU A 26 -20.401 -10.146 1.202 1.00 0.00 C ATOM 403 O LEU A 26 -19.981 -11.114 0.570 1.00 0.00 O ATOM 404 CB LEU A 26 -22.063 -8.245 0.766 1.00 0.00 C ATOM 405 CG LEU A 26 -21.538 -7.787 -0.596 1.00 0.00 C ATOM 406 CD1 LEU A 26 -22.529 -8.131 -1.710 1.00 0.00 C ATOM 407 CD2 LEU A 26 -21.191 -6.297 -0.577 1.00 0.00 C ATOM 0 H LEU A 26 -22.002 -9.938 3.177 1.00 0.00 H new ATOM 0 HA LEU A 26 -22.298 -10.275 0.257 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -23.128 -8.018 0.818 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -21.573 -7.654 1.540 1.00 0.00 H new ATOM 0 HG LEU A 26 -20.616 -8.329 -0.807 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -22.131 -7.795 -2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -22.683 -9.210 -1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -23.480 -7.634 -1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -20.820 -5.997 -1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -22.082 -5.719 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -20.423 -6.112 0.174 1.00 0.00 H new ATOM 419 N LYS A 27 -19.661 -9.396 2.006 1.00 0.00 N ATOM 420 CA LYS A 27 -18.250 -9.678 2.203 1.00 0.00 C ATOM 421 C LYS A 27 -17.927 -9.627 3.697 1.00 0.00 C ATOM 422 O LYS A 27 -17.255 -8.707 4.160 1.00 0.00 O ATOM 423 CB LYS A 27 -17.392 -8.735 1.356 1.00 0.00 C ATOM 424 CG LYS A 27 -15.903 -9.035 1.539 1.00 0.00 C ATOM 425 CD LYS A 27 -15.394 -9.972 0.442 1.00 0.00 C ATOM 426 CE LYS A 27 -14.140 -10.720 0.899 1.00 0.00 C ATOM 427 NZ LYS A 27 -13.760 -11.749 -0.095 1.00 0.00 N ATOM 0 H LYS A 27 -20.013 -8.594 2.528 1.00 0.00 H new ATOM 0 HA LYS A 27 -18.012 -10.685 1.860 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -17.661 -8.839 0.305 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -17.596 -7.702 1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -15.336 -8.104 1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -15.737 -9.489 2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -16.173 -10.687 0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -15.172 -9.398 -0.458 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.319 -10.016 1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -14.321 -11.189 1.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -12.907 -12.248 0.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.538 -12.430 -0.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.567 -11.293 -1.010 1.00 0.00 H new ATOM 441 N ARG A 28 -18.423 -10.628 4.411 1.00 0.00 N ATOM 442 CA ARG A 28 -18.196 -10.709 5.844 1.00 0.00 C ATOM 443 C ARG A 28 -16.992 -11.605 6.141 1.00 0.00 C ATOM 444 O ARG A 28 -16.497 -12.300 5.255 1.00 0.00 O ATOM 445 CB ARG A 28 -19.426 -11.262 6.566 1.00 0.00 C ATOM 446 CG ARG A 28 -19.901 -10.299 7.656 1.00 0.00 C ATOM 447 CD ARG A 28 -20.559 -11.059 8.810 1.00 0.00 C ATOM 448 NE ARG A 28 -22.029 -11.069 8.637 1.00 0.00 N ATOM 449 CZ ARG A 28 -22.688 -11.943 7.866 1.00 0.00 C ATOM 450 NH1 ARG A 28 -22.014 -12.884 7.192 1.00 0.00 N ATOM 451 NH2 ARG A 28 -24.023 -11.877 7.768 1.00 0.00 N ATOM 0 H ARG A 28 -18.981 -11.389 4.024 1.00 0.00 H new ATOM 0 HA ARG A 28 -18.000 -9.700 6.206 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -20.229 -11.429 5.848 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -19.188 -12.229 7.009 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -19.055 -9.723 8.031 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -20.610 -9.587 7.234 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -20.182 -12.081 8.845 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -20.300 -10.591 9.759 1.00 0.00 H new ATOM 0 HE ARG A 28 -22.574 -10.366 9.136 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -20.998 -12.935 7.266 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -22.517 -13.549 6.605 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -24.537 -11.161 8.281 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -24.525 -12.543 7.181 1.00 0.00 H new ATOM 465 N THR A 29 -16.556 -11.562 7.391 1.00 0.00 N ATOM 466 CA THR A 29 -15.420 -12.362 7.816 1.00 0.00 C ATOM 467 C THR A 29 -14.166 -11.964 7.035 1.00 0.00 C ATOM 468 O THR A 29 -13.641 -12.755 6.253 1.00 0.00 O ATOM 469 CB THR A 29 -15.794 -13.837 7.656 1.00 0.00 C ATOM 470 OG1 THR A 29 -16.699 -14.084 8.728 1.00 0.00 O ATOM 471 CG2 THR A 29 -14.617 -14.773 7.937 1.00 0.00 C ATOM 0 H THR A 29 -16.969 -10.985 8.124 1.00 0.00 H new ATOM 0 HA THR A 29 -15.181 -12.185 8.865 1.00 0.00 H new ATOM 0 HB THR A 29 -16.162 -14.011 6.645 1.00 0.00 H new ATOM 0 HG1 THR A 29 -16.993 -15.018 8.699 1.00 0.00 H new ATOM 0 HG21 THR A 29 -14.936 -15.807 7.809 1.00 0.00 H new ATOM 0 HG22 THR A 29 -13.805 -14.555 7.243 1.00 0.00 H new ATOM 0 HG23 THR A 29 -14.270 -14.624 8.959 1.00 0.00 H new ATOM 479 N PRO A 30 -13.710 -10.707 7.282 1.00 0.00 N ATOM 480 CA PRO A 30 -12.528 -10.195 6.611 1.00 0.00 C ATOM 481 C PRO A 30 -11.255 -10.809 7.198 1.00 0.00 C ATOM 482 O PRO A 30 -11.322 -11.634 8.107 1.00 0.00 O ATOM 483 CB PRO A 30 -12.596 -8.687 6.788 1.00 0.00 C ATOM 484 CG PRO A 30 -13.557 -8.446 7.941 1.00 0.00 C ATOM 485 CD PRO A 30 -14.306 -9.743 8.202 1.00 0.00 C ATOM 0 HA PRO A 30 -12.499 -10.457 5.553 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.611 -8.275 7.008 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -12.949 -8.202 5.878 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -13.013 -8.133 8.832 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.254 -7.645 7.696 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -14.194 -10.063 9.238 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.374 -9.628 8.017 1.00 0.00 H new ATOM 493 N ARG A 31 -10.125 -10.382 6.654 1.00 0.00 N ATOM 494 CA ARG A 31 -8.839 -10.879 7.112 1.00 0.00 C ATOM 495 C ARG A 31 -8.046 -9.758 7.787 1.00 0.00 C ATOM 496 O ARG A 31 -7.228 -9.099 7.147 1.00 0.00 O ATOM 497 CB ARG A 31 -8.021 -11.444 5.950 1.00 0.00 C ATOM 498 CG ARG A 31 -8.608 -12.769 5.459 1.00 0.00 C ATOM 499 CD ARG A 31 -7.729 -13.389 4.371 1.00 0.00 C ATOM 500 NE ARG A 31 -8.114 -14.801 4.153 1.00 0.00 N ATOM 501 CZ ARG A 31 -9.112 -15.192 3.349 1.00 0.00 C ATOM 502 NH1 ARG A 31 -9.833 -14.279 2.683 1.00 0.00 N ATOM 503 NH2 ARG A 31 -9.391 -16.495 3.212 1.00 0.00 N ATOM 0 H ARG A 31 -10.073 -9.697 5.900 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.029 -11.677 7.829 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -8.002 -10.725 5.131 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.989 -11.595 6.267 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.700 -13.462 6.295 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -9.613 -12.604 5.069 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.834 -12.827 3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.680 -13.330 4.662 1.00 0.00 H new ATOM 0 HE ARG A 31 -7.587 -15.522 4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.622 -13.287 2.788 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -10.593 -14.577 2.071 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -8.844 -17.190 3.720 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.151 -16.792 2.600 1.00 0.00 H new ATOM 517 N ARG A 32 -8.317 -9.575 9.071 1.00 0.00 N ATOM 518 CA ARG A 32 -7.639 -8.545 9.840 1.00 0.00 C ATOM 519 C ARG A 32 -6.323 -9.084 10.405 1.00 0.00 C ATOM 520 O ARG A 32 -5.246 -8.640 10.010 1.00 0.00 O ATOM 521 CB ARG A 32 -8.516 -8.051 10.992 1.00 0.00 C ATOM 522 CG ARG A 32 -8.242 -6.577 11.296 1.00 0.00 C ATOM 523 CD ARG A 32 -8.065 -6.351 12.799 1.00 0.00 C ATOM 524 NE ARG A 32 -8.003 -4.901 13.089 1.00 0.00 N ATOM 525 CZ ARG A 32 -6.903 -4.151 12.939 1.00 0.00 C ATOM 526 NH1 ARG A 32 -5.767 -4.709 12.501 1.00 0.00 N ATOM 527 NH2 ARG A 32 -6.940 -2.843 13.226 1.00 0.00 N ATOM 0 H ARG A 32 -8.997 -10.123 9.598 1.00 0.00 H new ATOM 0 HA ARG A 32 -7.436 -7.710 9.169 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -9.567 -8.184 10.736 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.326 -8.651 11.882 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.345 -6.254 10.768 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.066 -5.967 10.927 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.894 -6.804 13.343 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.153 -6.838 13.143 1.00 0.00 H new ATOM 0 HE ARG A 32 -8.851 -4.444 13.424 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.739 -5.705 12.282 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.929 -4.138 12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.806 -2.418 13.559 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.103 -2.272 13.112 1.00 0.00 H new TER 541 ARG A 32