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+ 173:sc= -0.102 (180deg=-0.178) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot -31:sc= 0.0156 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.0966 X(o=-0.097,f=-0.27) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 54:sc= 0.64 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 128:sc= 0.171 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.743 K(o=0.74,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 -28.262 26.677 3.865 1.00 0.00 N ATOM 2 CA THR A 1 -27.471 25.990 4.872 1.00 0.00 C ATOM 3 C THR A 1 -28.343 25.011 5.660 1.00 0.00 C ATOM 4 O THR A 1 -27.982 23.847 5.826 1.00 0.00 O ATOM 5 CB THR A 1 -26.800 27.049 5.750 1.00 0.00 C ATOM 6 OG1 THR A 1 -26.065 26.291 6.707 1.00 0.00 O ATOM 7 CG2 THR A 1 -27.808 27.836 6.591 1.00 0.00 C ATOM 0 H1 THR A 1 -27.687 27.420 3.420 1.00 0.00 H new ATOM 0 H2 THR A 1 -28.569 25.996 3.141 1.00 0.00 H new ATOM 0 H3 THR A 1 -29.097 27.107 4.313 1.00 0.00 H new ATOM 0 HA THR A 1 -26.689 25.383 4.414 1.00 0.00 H new ATOM 0 HB THR A 1 -26.236 27.738 5.121 1.00 0.00 H new ATOM 0 HG1 THR A 1 -25.597 26.899 7.316 1.00 0.00 H new ATOM 0 HG21 THR A 1 -27.280 28.574 7.195 1.00 0.00 H new ATOM 0 HG22 THR A 1 -28.513 28.343 5.933 1.00 0.00 H new ATOM 0 HG23 THR A 1 -28.349 27.152 7.245 1.00 0.00 H new ATOM 15 N SER A 2 -29.476 25.520 6.125 1.00 0.00 N ATOM 16 CA SER A 2 -30.403 24.705 6.891 1.00 0.00 C ATOM 17 C SER A 2 -31.387 24.007 5.951 1.00 0.00 C ATOM 18 O SER A 2 -32.067 23.062 6.348 1.00 0.00 O ATOM 19 CB SER A 2 -31.159 25.549 7.919 1.00 0.00 C ATOM 20 OG SER A 2 -31.969 24.749 8.775 1.00 0.00 O ATOM 0 H SER A 2 -29.772 26.486 5.986 1.00 0.00 H new ATOM 0 HA SER A 2 -29.830 23.951 7.431 1.00 0.00 H new ATOM 0 HB2 SER A 2 -30.446 26.114 8.519 1.00 0.00 H new ATOM 0 HB3 SER A 2 -31.786 26.275 7.401 1.00 0.00 H new ATOM 0 HG SER A 2 -32.282 23.960 8.285 1.00 0.00 H new ATOM 26 N SER A 3 -31.431 24.498 4.721 1.00 0.00 N ATOM 27 CA SER A 3 -32.321 23.934 3.721 1.00 0.00 C ATOM 28 C SER A 3 -31.600 22.834 2.940 1.00 0.00 C ATOM 29 O SER A 3 -31.809 22.681 1.738 1.00 0.00 O ATOM 30 CB SER A 3 -32.833 25.014 2.766 1.00 0.00 C ATOM 31 OG SER A 3 -34.256 25.067 2.733 1.00 0.00 O ATOM 0 H SER A 3 -30.864 25.281 4.394 1.00 0.00 H new ATOM 0 HA SER A 3 -33.181 23.503 4.233 1.00 0.00 H new ATOM 0 HB2 SER A 3 -32.441 25.984 3.072 1.00 0.00 H new ATOM 0 HB3 SER A 3 -32.454 24.820 1.763 1.00 0.00 H new ATOM 0 HG SER A 3 -34.543 25.770 2.113 1.00 0.00 H new ATOM 37 N ILE A 4 -30.764 22.095 3.656 1.00 0.00 N ATOM 38 CA ILE A 4 -30.010 21.013 3.045 1.00 0.00 C ATOM 39 C ILE A 4 -30.082 19.776 3.943 1.00 0.00 C ATOM 40 O ILE A 4 -30.643 18.753 3.552 1.00 0.00 O ATOM 41 CB ILE A 4 -28.582 21.465 2.733 1.00 0.00 C ATOM 42 CG1 ILE A 4 -28.562 22.457 1.568 1.00 0.00 C ATOM 43 CG2 ILE A 4 -27.670 20.263 2.478 1.00 0.00 C ATOM 44 CD1 ILE A 4 -27.439 23.481 1.739 1.00 0.00 C ATOM 0 H ILE A 4 -30.592 22.224 4.653 1.00 0.00 H new ATOM 0 HA ILE A 4 -30.449 20.737 2.086 1.00 0.00 H new ATOM 0 HB ILE A 4 -28.191 21.987 3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -28.428 21.919 0.630 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -29.521 22.971 1.507 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -26.661 20.612 2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -27.650 19.627 3.363 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -28.049 19.692 1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -27.447 24.174 0.898 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -27.589 24.034 2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -26.479 22.966 1.775 1.00 0.00 H new ATOM 56 N VAL A 5 -29.507 19.911 5.129 1.00 0.00 N ATOM 57 CA VAL A 5 -29.499 18.818 6.085 1.00 0.00 C ATOM 58 C VAL A 5 -30.866 18.130 6.078 1.00 0.00 C ATOM 59 O VAL A 5 -30.960 16.931 5.821 1.00 0.00 O ATOM 60 CB VAL A 5 -29.097 19.335 7.468 1.00 0.00 C ATOM 61 CG1 VAL A 5 -29.277 18.250 8.532 1.00 0.00 C ATOM 62 CG2 VAL A 5 -27.661 19.862 7.460 1.00 0.00 C ATOM 0 H VAL A 5 -29.043 20.761 5.449 1.00 0.00 H new ATOM 0 HA VAL A 5 -28.757 18.070 5.804 1.00 0.00 H new ATOM 0 HB VAL A 5 -29.757 20.165 7.721 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -28.984 18.643 9.506 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -30.322 17.942 8.564 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -28.653 17.391 8.285 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -27.400 20.223 8.455 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -26.980 19.059 7.176 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -27.577 20.679 6.744 1.00 0.00 H new ATOM 72 N HIS A 6 -31.891 18.918 6.364 1.00 0.00 N ATOM 73 CA HIS A 6 -33.248 18.400 6.394 1.00 0.00 C ATOM 74 C HIS A 6 -33.454 17.434 5.227 1.00 0.00 C ATOM 75 O HIS A 6 -33.955 16.326 5.414 1.00 0.00 O ATOM 76 CB HIS A 6 -34.266 19.543 6.405 1.00 0.00 C ATOM 77 CG HIS A 6 -35.623 19.152 6.940 1.00 0.00 C ATOM 78 ND1 HIS A 6 -35.786 18.371 8.071 1.00 0.00 N ATOM 79 CD2 HIS A 6 -36.876 19.442 6.487 1.00 0.00 C ATOM 80 CE1 HIS A 6 -37.084 18.205 8.280 1.00 0.00 C ATOM 81 NE2 HIS A 6 -37.758 18.868 7.297 1.00 0.00 N ATOM 0 H HIS A 6 -31.809 19.912 6.577 1.00 0.00 H new ATOM 0 HA HIS A 6 -33.407 17.841 7.316 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -33.871 20.361 7.007 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -34.383 19.922 5.390 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -37.111 20.037 5.617 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -37.530 17.643 9.087 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -38.772 18.915 7.200 1.00 0.00 H new ATOM 90 N LEU A 7 -33.058 17.888 4.047 1.00 0.00 N ATOM 91 CA LEU A 7 -33.193 17.077 2.849 1.00 0.00 C ATOM 92 C LEU A 7 -32.299 15.842 2.970 1.00 0.00 C ATOM 93 O LEU A 7 -32.765 14.715 2.809 1.00 0.00 O ATOM 94 CB LEU A 7 -32.916 17.917 1.600 1.00 0.00 C ATOM 95 CG LEU A 7 -32.822 17.146 0.281 1.00 0.00 C ATOM 96 CD1 LEU A 7 -33.885 17.624 -0.710 1.00 0.00 C ATOM 97 CD2 LEU A 7 -31.412 17.233 -0.305 1.00 0.00 C ATOM 0 H LEU A 7 -32.643 18.807 3.895 1.00 0.00 H new ATOM 0 HA LEU A 7 -34.217 16.720 2.745 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -33.704 18.664 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -31.981 18.457 1.750 1.00 0.00 H new ATOM 0 HG LEU A 7 -33.022 16.094 0.485 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -33.796 17.060 -1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -34.876 17.468 -0.284 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -33.741 18.685 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -31.372 16.677 -1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -31.159 18.277 -0.492 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -30.698 16.807 0.400 1.00 0.00 H new ATOM 109 N CYS A 8 -31.029 16.096 3.254 1.00 0.00 N ATOM 110 CA CYS A 8 -30.065 15.019 3.399 1.00 0.00 C ATOM 111 C CYS A 8 -30.643 13.984 4.366 1.00 0.00 C ATOM 112 O CYS A 8 -30.334 12.797 4.269 1.00 0.00 O ATOM 113 CB CYS A 8 -28.703 15.537 3.865 1.00 0.00 C ATOM 114 SG CYS A 8 -27.363 14.603 3.041 1.00 0.00 S ATOM 0 H CYS A 8 -30.646 17.032 3.387 1.00 0.00 H new ATOM 0 HA CYS A 8 -29.890 14.552 2.430 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -28.611 16.599 3.637 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -28.617 15.435 4.947 1.00 0.00 H new ATOM 0 HG CYS A 8 -26.211 15.052 3.442 1.00 0.00 H new ATOM 120 N ALA A 9 -31.473 14.471 5.277 1.00 0.00 N ATOM 121 CA ALA A 9 -32.097 13.603 6.261 1.00 0.00 C ATOM 122 C ALA A 9 -32.978 12.577 5.545 1.00 0.00 C ATOM 123 O ALA A 9 -33.049 11.420 5.955 1.00 0.00 O ATOM 124 CB ALA A 9 -32.885 14.450 7.263 1.00 0.00 C ATOM 0 H ALA A 9 -31.728 15.456 5.354 1.00 0.00 H new ATOM 0 HA ALA A 9 -31.341 13.054 6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -33.353 13.799 8.001 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -32.209 15.141 7.766 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -33.655 15.014 6.737 1.00 0.00 H new ATOM 130 N ILE A 10 -33.628 13.040 4.487 1.00 0.00 N ATOM 131 CA ILE A 10 -34.501 12.177 3.709 1.00 0.00 C ATOM 132 C ILE A 10 -33.654 11.304 2.781 1.00 0.00 C ATOM 133 O ILE A 10 -33.687 10.078 2.874 1.00 0.00 O ATOM 134 CB ILE A 10 -35.560 13.005 2.979 1.00 0.00 C ATOM 135 CG1 ILE A 10 -36.487 13.710 3.972 1.00 0.00 C ATOM 136 CG2 ILE A 10 -36.337 12.145 1.981 1.00 0.00 C ATOM 137 CD1 ILE A 10 -37.292 12.694 4.786 1.00 0.00 C ATOM 0 H ILE A 10 -33.568 14.001 4.151 1.00 0.00 H new ATOM 0 HA ILE A 10 -35.053 11.503 4.364 1.00 0.00 H new ATOM 0 HB ILE A 10 -35.051 13.781 2.407 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -35.899 14.335 4.644 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -37.167 14.371 3.434 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -37.083 12.758 1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -35.649 11.731 1.244 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -36.834 11.332 2.511 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -37.943 13.221 5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -37.897 12.087 4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -36.610 12.050 5.341 1.00 0.00 H new ATOM 149 N SER A 11 -32.916 11.971 1.906 1.00 0.00 N ATOM 150 CA SER A 11 -32.062 11.271 0.961 1.00 0.00 C ATOM 151 C SER A 11 -30.819 10.736 1.676 1.00 0.00 C ATOM 152 O SER A 11 -29.701 11.159 1.386 1.00 0.00 O ATOM 153 CB SER A 11 -31.655 12.186 -0.196 1.00 0.00 C ATOM 154 OG SER A 11 -30.845 13.273 0.242 1.00 0.00 O ATOM 0 H SER A 11 -32.892 12.988 1.831 1.00 0.00 H new ATOM 0 HA SER A 11 -32.624 10.434 0.547 1.00 0.00 H new ATOM 0 HB2 SER A 11 -31.111 11.607 -0.942 1.00 0.00 H new ATOM 0 HB3 SER A 11 -32.550 12.574 -0.683 1.00 0.00 H new ATOM 0 HG SER A 11 -30.074 12.927 0.739 1.00 0.00 H new ATOM 160 N LEU A 12 -31.057 9.812 2.596 1.00 0.00 N ATOM 161 CA LEU A 12 -29.971 9.215 3.354 1.00 0.00 C ATOM 162 C LEU A 12 -30.436 7.877 3.934 1.00 0.00 C ATOM 163 O LEU A 12 -29.865 6.832 3.627 1.00 0.00 O ATOM 164 CB LEU A 12 -29.451 10.194 4.408 1.00 0.00 C ATOM 165 CG LEU A 12 -28.467 9.620 5.430 1.00 0.00 C ATOM 166 CD1 LEU A 12 -27.043 9.604 4.870 1.00 0.00 C ATOM 167 CD2 LEU A 12 -28.553 10.375 6.758 1.00 0.00 C ATOM 0 H LEU A 12 -31.986 9.463 2.833 1.00 0.00 H new ATOM 0 HA LEU A 12 -29.123 9.004 2.703 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -28.968 11.026 3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -30.305 10.605 4.947 1.00 0.00 H new ATOM 0 HG LEU A 12 -28.746 8.585 5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -26.363 9.192 5.616 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -27.012 8.988 3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -26.737 10.621 4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -27.844 9.947 7.466 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -28.314 11.426 6.595 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -29.563 10.291 7.160 1.00 0.00 H new ATOM 179 N ASP A 13 -31.468 7.954 4.761 1.00 0.00 N ATOM 180 CA ASP A 13 -32.015 6.762 5.387 1.00 0.00 C ATOM 181 C ASP A 13 -32.048 5.624 4.364 1.00 0.00 C ATOM 182 O ASP A 13 -31.617 4.510 4.656 1.00 0.00 O ATOM 183 CB ASP A 13 -33.446 7.003 5.873 1.00 0.00 C ATOM 184 CG ASP A 13 -34.065 5.846 6.660 1.00 0.00 C ATOM 185 OD1 ASP A 13 -34.188 4.755 6.063 1.00 0.00 O ATOM 186 OD2 ASP A 13 -34.400 6.079 7.841 1.00 0.00 O ATOM 0 H ASP A 13 -31.940 8.823 5.012 1.00 0.00 H new ATOM 0 HA ASP A 13 -31.383 6.507 6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -33.456 7.895 6.499 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -34.077 7.213 5.009 1.00 0.00 H new ATOM 191 N ARG A 14 -32.565 5.944 3.187 1.00 0.00 N ATOM 192 CA ARG A 14 -32.660 4.963 2.120 1.00 0.00 C ATOM 193 C ARG A 14 -31.380 4.128 2.050 1.00 0.00 C ATOM 194 O ARG A 14 -31.436 2.912 1.872 1.00 0.00 O ATOM 195 CB ARG A 14 -32.893 5.640 0.768 1.00 0.00 C ATOM 196 CG ARG A 14 -33.371 4.629 -0.277 1.00 0.00 C ATOM 197 CD ARG A 14 -34.693 5.074 -0.905 1.00 0.00 C ATOM 198 NE ARG A 14 -35.798 4.219 -0.418 1.00 0.00 N ATOM 199 CZ ARG A 14 -36.958 4.048 -1.067 1.00 0.00 C ATOM 200 NH1 ARG A 14 -37.171 4.672 -2.234 1.00 0.00 N ATOM 201 NH2 ARG A 14 -37.905 3.253 -0.550 1.00 0.00 N ATOM 0 H ARG A 14 -32.923 6.869 2.949 1.00 0.00 H new ATOM 0 HA ARG A 14 -33.509 4.315 2.341 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -33.633 6.433 0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -31.970 6.110 0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -32.614 4.518 -1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -33.496 3.651 0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -34.891 6.116 -0.655 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -34.627 5.014 -1.991 1.00 0.00 H new ATOM 0 HE ARG A 14 -35.669 3.729 0.467 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -36.450 5.277 -2.628 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -38.054 4.542 -2.728 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -37.743 2.778 0.338 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -38.788 3.123 -1.044 1.00 0.00 H new ATOM 215 N TYR A 15 -30.256 4.814 2.196 1.00 0.00 N ATOM 216 CA TYR A 15 -28.964 4.151 2.152 1.00 0.00 C ATOM 217 C TYR A 15 -28.363 4.026 3.554 1.00 0.00 C ATOM 218 O TYR A 15 -27.192 4.339 3.761 1.00 0.00 O ATOM 219 CB TYR A 15 -28.060 5.044 1.300 1.00 0.00 C ATOM 220 CG TYR A 15 -28.698 5.505 -0.011 1.00 0.00 C ATOM 221 CD1 TYR A 15 -28.924 4.597 -1.026 1.00 0.00 C ATOM 222 CD2 TYR A 15 -29.048 6.830 -0.180 1.00 0.00 C ATOM 223 CE1 TYR A 15 -29.524 5.031 -2.260 1.00 0.00 C ATOM 224 CE2 TYR A 15 -29.649 7.264 -1.415 1.00 0.00 C ATOM 225 CZ TYR A 15 -29.857 6.343 -2.394 1.00 0.00 C ATOM 226 OH TYR A 15 -30.425 6.753 -3.560 1.00 0.00 O ATOM 0 H TYR A 15 -30.213 5.822 2.345 1.00 0.00 H new ATOM 0 HA TYR A 15 -29.063 3.145 1.743 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -27.779 5.921 1.883 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -27.141 4.503 1.074 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -28.650 3.561 -0.894 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -28.871 7.541 0.614 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -29.706 4.331 -3.062 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -29.928 8.297 -1.560 1.00 0.00 H new ATOM 0 HH TYR A 15 -30.610 7.714 -3.513 1.00 0.00 H new ATOM 236 N TRP A 16 -29.194 3.570 4.480 1.00 0.00 N ATOM 237 CA TRP A 16 -28.759 3.400 5.856 1.00 0.00 C ATOM 238 C TRP A 16 -28.946 1.929 6.233 1.00 0.00 C ATOM 239 O TRP A 16 -27.970 1.204 6.418 1.00 0.00 O ATOM 240 CB TRP A 16 -29.507 4.355 6.788 1.00 0.00 C ATOM 241 CG TRP A 16 -29.194 4.149 8.272 1.00 0.00 C ATOM 242 CD1 TRP A 16 -30.056 3.935 9.275 1.00 0.00 C ATOM 243 CD2 TRP A 16 -27.886 4.146 8.882 1.00 0.00 C ATOM 244 NE1 TRP A 16 -29.403 3.795 10.482 1.00 0.00 N ATOM 245 CE2 TRP A 16 -28.041 3.928 10.236 1.00 0.00 C ATOM 246 CE3 TRP A 16 -26.614 4.323 8.309 1.00 0.00 C ATOM 247 CZ2 TRP A 16 -26.966 3.865 11.130 1.00 0.00 C ATOM 248 CZ3 TRP A 16 -25.550 4.257 9.217 1.00 0.00 C ATOM 249 CH2 TRP A 16 -25.689 4.038 10.582 1.00 0.00 C ATOM 0 H TRP A 16 -30.165 3.313 4.305 1.00 0.00 H new ATOM 0 HA TRP A 16 -27.705 3.655 5.962 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -29.261 5.381 6.514 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -30.579 4.232 6.633 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -31.128 3.879 9.154 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -29.839 3.625 11.388 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -26.469 4.496 7.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -27.113 3.692 12.186 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -24.550 4.385 8.829 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -24.816 4.001 11.217 1.00 0.00 H new ATOM 260 N SER A 17 -30.206 1.532 6.336 1.00 0.00 N ATOM 261 CA SER A 17 -30.532 0.161 6.687 1.00 0.00 C ATOM 262 C SER A 17 -29.697 -0.808 5.847 1.00 0.00 C ATOM 263 O SER A 17 -29.021 -1.680 6.389 1.00 0.00 O ATOM 264 CB SER A 17 -32.024 -0.117 6.492 1.00 0.00 C ATOM 265 OG SER A 17 -32.536 -1.003 7.484 1.00 0.00 O ATOM 0 H SER A 17 -31.013 2.136 6.182 1.00 0.00 H new ATOM 0 HA SER A 17 -30.297 0.013 7.741 1.00 0.00 H new ATOM 0 HB2 SER A 17 -32.575 0.823 6.526 1.00 0.00 H new ATOM 0 HB3 SER A 17 -32.187 -0.547 5.504 1.00 0.00 H new ATOM 0 HG SER A 17 -33.491 -1.154 7.326 1.00 0.00 H new ATOM 271 N ILE A 18 -29.772 -0.621 4.537 1.00 0.00 N ATOM 272 CA ILE A 18 -29.032 -1.467 3.617 1.00 0.00 C ATOM 273 C ILE A 18 -27.565 -1.521 4.048 1.00 0.00 C ATOM 274 O ILE A 18 -27.041 -2.592 4.349 1.00 0.00 O ATOM 275 CB ILE A 18 -29.233 -0.995 2.176 1.00 0.00 C ATOM 276 CG1 ILE A 18 -30.697 -1.132 1.752 1.00 0.00 C ATOM 277 CG2 ILE A 18 -28.289 -1.730 1.222 1.00 0.00 C ATOM 278 CD1 ILE A 18 -31.013 -0.218 0.567 1.00 0.00 C ATOM 0 H ILE A 18 -30.334 0.104 4.091 1.00 0.00 H new ATOM 0 HA ILE A 18 -29.411 -2.488 3.649 1.00 0.00 H new ATOM 0 HB ILE A 18 -28.982 0.064 2.126 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -30.906 -2.167 1.483 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -31.347 -0.883 2.591 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -28.452 -1.376 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -27.256 -1.537 1.512 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -28.485 -2.801 1.269 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -32.060 -0.335 0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -30.826 0.819 0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -30.378 -0.485 -0.278 1.00 0.00 H new ATOM 290 N THR A 19 -26.943 -0.351 4.065 1.00 0.00 N ATOM 291 CA THR A 19 -25.547 -0.251 4.454 1.00 0.00 C ATOM 292 C THR A 19 -25.253 -1.184 5.630 1.00 0.00 C ATOM 293 O THR A 19 -24.415 -2.078 5.524 1.00 0.00 O ATOM 294 CB THR A 19 -25.244 1.219 4.754 1.00 0.00 C ATOM 295 OG1 THR A 19 -25.278 1.848 3.476 1.00 0.00 O ATOM 296 CG2 THR A 19 -23.808 1.433 5.236 1.00 0.00 C ATOM 0 H THR A 19 -27.381 0.536 3.815 1.00 0.00 H new ATOM 0 HA THR A 19 -24.888 -0.576 3.649 1.00 0.00 H new ATOM 0 HB THR A 19 -25.939 1.587 5.509 1.00 0.00 H new ATOM 0 HG1 THR A 19 -25.877 2.623 3.508 1.00 0.00 H new ATOM 0 HG21 THR A 19 -23.645 2.492 5.435 1.00 0.00 H new ATOM 0 HG22 THR A 19 -23.642 0.863 6.150 1.00 0.00 H new ATOM 0 HG23 THR A 19 -23.112 1.097 4.467 1.00 0.00 H new ATOM 304 N GLN A 20 -25.960 -0.944 6.725 1.00 0.00 N ATOM 305 CA GLN A 20 -25.786 -1.752 7.920 1.00 0.00 C ATOM 306 C GLN A 20 -25.776 -3.239 7.559 1.00 0.00 C ATOM 307 O GLN A 20 -24.811 -3.945 7.846 1.00 0.00 O ATOM 308 CB GLN A 20 -26.872 -1.445 8.953 1.00 0.00 C ATOM 309 CG GLN A 20 -26.419 -1.842 10.359 1.00 0.00 C ATOM 310 CD GLN A 20 -27.009 -3.195 10.764 1.00 0.00 C ATOM 311 OE1 GLN A 20 -26.396 -4.239 10.609 1.00 0.00 O ATOM 312 NE2 GLN A 20 -28.228 -3.119 11.288 1.00 0.00 N ATOM 0 H GLN A 20 -26.654 -0.202 6.809 1.00 0.00 H new ATOM 0 HA GLN A 20 -24.824 -1.501 8.368 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -27.110 -0.382 8.930 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -27.785 -1.982 8.696 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -25.331 -1.891 10.394 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -26.727 -1.078 11.073 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -28.684 -2.212 11.389 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -28.708 -3.967 11.589 1.00 0.00 H new ATOM 321 N ALA A 21 -26.863 -3.670 6.935 1.00 0.00 N ATOM 322 CA ALA A 21 -26.992 -5.060 6.532 1.00 0.00 C ATOM 323 C ALA A 21 -26.854 -5.161 5.011 1.00 0.00 C ATOM 324 O ALA A 21 -27.789 -5.571 4.325 1.00 0.00 O ATOM 325 CB ALA A 21 -28.326 -5.616 7.034 1.00 0.00 C ATOM 0 H ALA A 21 -27.662 -3.081 6.699 1.00 0.00 H new ATOM 0 HA ALA A 21 -26.200 -5.663 6.976 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -28.423 -6.659 6.732 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -28.362 -5.549 8.121 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -29.145 -5.037 6.607 1.00 0.00 H new ATOM 331 N ILE A 22 -25.680 -4.779 4.529 1.00 0.00 N ATOM 332 CA ILE A 22 -25.407 -4.821 3.103 1.00 0.00 C ATOM 333 C ILE A 22 -25.016 -6.246 2.704 1.00 0.00 C ATOM 334 O ILE A 22 -25.464 -6.752 1.676 1.00 0.00 O ATOM 335 CB ILE A 22 -24.363 -3.769 2.725 1.00 0.00 C ATOM 336 CG1 ILE A 22 -24.665 -3.164 1.353 1.00 0.00 C ATOM 337 CG2 ILE A 22 -22.949 -4.348 2.798 1.00 0.00 C ATOM 338 CD1 ILE A 22 -23.869 -1.876 1.134 1.00 0.00 C ATOM 0 H ILE A 22 -24.907 -4.439 5.101 1.00 0.00 H new ATOM 0 HA ILE A 22 -26.303 -4.565 2.537 1.00 0.00 H new ATOM 0 HB ILE A 22 -24.417 -2.959 3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -24.420 -3.884 0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -25.732 -2.955 1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -22.226 -3.579 2.524 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -22.748 -4.690 3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -22.864 -5.188 2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -24.102 -1.467 0.151 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -24.134 -1.149 1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -22.802 -2.093 1.193 1.00 0.00 H new ATOM 350 N GLU A 23 -24.185 -6.852 3.539 1.00 0.00 N ATOM 351 CA GLU A 23 -23.728 -8.208 3.286 1.00 0.00 C ATOM 352 C GLU A 23 -24.923 -9.149 3.122 1.00 0.00 C ATOM 353 O GLU A 23 -24.805 -10.208 2.508 1.00 0.00 O ATOM 354 CB GLU A 23 -22.800 -8.691 4.403 1.00 0.00 C ATOM 355 CG GLU A 23 -21.587 -9.426 3.828 1.00 0.00 C ATOM 356 CD GLU A 23 -20.552 -8.438 3.287 1.00 0.00 C ATOM 357 OE1 GLU A 23 -20.825 -7.862 2.212 1.00 0.00 O ATOM 358 OE2 GLU A 23 -19.511 -8.281 3.961 1.00 0.00 O ATOM 0 H GLU A 23 -23.816 -6.429 4.391 1.00 0.00 H new ATOM 0 HA GLU A 23 -23.158 -8.211 2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -22.466 -7.840 4.997 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -23.347 -9.353 5.074 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -21.133 -10.046 4.601 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -21.908 -10.095 3.030 1.00 0.00 H new ATOM 365 N TYR A 24 -26.048 -8.728 3.683 1.00 0.00 N ATOM 366 CA TYR A 24 -27.264 -9.520 3.606 1.00 0.00 C ATOM 367 C TYR A 24 -27.637 -9.813 2.152 1.00 0.00 C ATOM 368 O TYR A 24 -28.158 -10.884 1.844 1.00 0.00 O ATOM 369 CB TYR A 24 -28.364 -8.666 4.239 1.00 0.00 C ATOM 370 CG TYR A 24 -29.760 -9.287 4.157 1.00 0.00 C ATOM 371 CD1 TYR A 24 -30.016 -10.492 4.779 1.00 0.00 C ATOM 372 CD2 TYR A 24 -30.762 -8.643 3.461 1.00 0.00 C ATOM 373 CE1 TYR A 24 -31.330 -11.077 4.701 1.00 0.00 C ATOM 374 CE2 TYR A 24 -32.076 -9.227 3.384 1.00 0.00 C ATOM 375 CZ TYR A 24 -32.295 -10.416 4.008 1.00 0.00 C ATOM 376 OH TYR A 24 -33.535 -10.968 3.934 1.00 0.00 O ATOM 0 H TYR A 24 -26.143 -7.849 4.192 1.00 0.00 H new ATOM 0 HA TYR A 24 -27.132 -10.476 4.113 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -28.116 -8.491 5.286 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -28.381 -7.693 3.749 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -29.232 -10.996 5.324 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -30.561 -7.700 2.974 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -31.544 -12.020 5.182 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -32.869 -8.733 2.843 1.00 0.00 H new ATOM 0 HH TYR A 24 -34.122 -10.385 3.408 1.00 0.00 H new ATOM 386 N ASN A 25 -27.355 -8.843 1.295 1.00 0.00 N ATOM 387 CA ASN A 25 -27.654 -8.984 -0.120 1.00 0.00 C ATOM 388 C ASN A 25 -26.521 -8.365 -0.941 1.00 0.00 C ATOM 389 O ASN A 25 -26.633 -7.231 -1.404 1.00 0.00 O ATOM 390 CB ASN A 25 -28.951 -8.259 -0.484 1.00 0.00 C ATOM 391 CG ASN A 25 -30.083 -9.256 -0.740 1.00 0.00 C ATOM 392 OD1 ASN A 25 -30.354 -9.653 -1.861 1.00 0.00 O ATOM 393 ND2 ASN A 25 -30.728 -9.636 0.359 1.00 0.00 N ATOM 0 H ASN A 25 -26.923 -7.956 1.553 1.00 0.00 H new ATOM 0 HA ASN A 25 -27.761 -10.047 -0.337 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -29.233 -7.583 0.323 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -28.793 -7.647 -1.372 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -31.501 -10.299 0.293 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -30.450 -9.265 1.268 1.00 0.00 H new ATOM 400 N LEU A 26 -25.455 -9.137 -1.096 1.00 0.00 N ATOM 401 CA LEU A 26 -24.303 -8.679 -1.852 1.00 0.00 C ATOM 402 C LEU A 26 -24.033 -9.651 -3.002 1.00 0.00 C ATOM 403 O LEU A 26 -24.270 -9.325 -4.164 1.00 0.00 O ATOM 404 CB LEU A 26 -23.102 -8.473 -0.927 1.00 0.00 C ATOM 405 CG LEU A 26 -21.736 -8.380 -1.611 1.00 0.00 C ATOM 406 CD1 LEU A 26 -21.655 -7.144 -2.508 1.00 0.00 C ATOM 407 CD2 LEU A 26 -20.604 -8.418 -0.582 1.00 0.00 C ATOM 0 H LEU A 26 -25.366 -10.077 -0.710 1.00 0.00 H new ATOM 0 HA LEU A 26 -24.504 -7.705 -2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -23.262 -7.560 -0.354 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -23.073 -9.296 -0.213 1.00 0.00 H new ATOM 0 HG LEU A 26 -21.616 -9.252 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -20.674 -7.102 -2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -22.427 -7.200 -3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -21.806 -6.248 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.644 -8.350 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -20.709 -7.578 0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -20.652 -9.352 -0.023 1.00 0.00 H new ATOM 419 N LYS A 27 -23.542 -10.827 -2.638 1.00 0.00 N ATOM 420 CA LYS A 27 -23.238 -11.849 -3.625 1.00 0.00 C ATOM 421 C LYS A 27 -23.852 -13.178 -3.182 1.00 0.00 C ATOM 422 O LYS A 27 -23.161 -14.031 -2.625 1.00 0.00 O ATOM 423 CB LYS A 27 -21.731 -11.921 -3.875 1.00 0.00 C ATOM 424 CG LYS A 27 -21.309 -10.939 -4.970 1.00 0.00 C ATOM 425 CD LYS A 27 -20.500 -9.780 -4.386 1.00 0.00 C ATOM 426 CE LYS A 27 -19.320 -9.422 -5.292 1.00 0.00 C ATOM 427 NZ LYS A 27 -18.059 -9.404 -4.518 1.00 0.00 N ATOM 0 H LYS A 27 -23.347 -11.095 -1.673 1.00 0.00 H new ATOM 0 HA LYS A 27 -23.685 -11.595 -4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -21.195 -11.696 -2.953 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -21.455 -12.935 -4.165 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -20.715 -11.460 -5.721 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -22.193 -10.551 -5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -21.144 -8.909 -4.261 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -20.134 -10.051 -3.396 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -19.245 -10.145 -6.104 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -19.487 -8.446 -5.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -17.268 -9.159 -5.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -18.128 -8.697 -3.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -17.893 -10.343 -4.103 1.00 0.00 H new ATOM 441 N ARG A 28 -25.144 -13.314 -3.445 1.00 0.00 N ATOM 442 CA ARG A 28 -25.858 -14.525 -3.080 1.00 0.00 C ATOM 443 C ARG A 28 -25.764 -15.557 -4.206 1.00 0.00 C ATOM 444 O ARG A 28 -25.435 -15.214 -5.340 1.00 0.00 O ATOM 445 CB ARG A 28 -27.331 -14.230 -2.790 1.00 0.00 C ATOM 446 CG ARG A 28 -28.043 -13.713 -4.042 1.00 0.00 C ATOM 447 CD ARG A 28 -29.552 -13.609 -3.810 1.00 0.00 C ATOM 448 NE ARG A 28 -30.265 -14.576 -4.675 1.00 0.00 N ATOM 449 CZ ARG A 28 -31.492 -15.049 -4.419 1.00 0.00 C ATOM 450 NH1 ARG A 28 -32.150 -14.648 -3.323 1.00 0.00 N ATOM 451 NH2 ARG A 28 -32.061 -15.924 -5.259 1.00 0.00 N ATOM 0 H ARG A 28 -25.714 -12.605 -3.906 1.00 0.00 H new ATOM 0 HA ARG A 28 -25.394 -14.924 -2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -27.824 -15.135 -2.435 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -27.408 -13.491 -1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -27.645 -12.735 -4.314 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -27.845 -14.382 -4.880 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -29.782 -13.807 -2.763 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -29.892 -12.596 -4.025 1.00 0.00 H new ATOM 0 HE ARG A 28 -29.793 -14.902 -5.518 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -31.717 -13.982 -2.683 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -33.084 -15.008 -3.129 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -31.560 -16.230 -6.093 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -32.995 -16.284 -5.064 1.00 0.00 H new ATOM 465 N THR A 29 -26.060 -16.799 -3.853 1.00 0.00 N ATOM 466 CA THR A 29 -26.013 -17.883 -4.820 1.00 0.00 C ATOM 467 C THR A 29 -24.772 -17.754 -5.706 1.00 0.00 C ATOM 468 O THR A 29 -24.883 -17.482 -6.900 1.00 0.00 O ATOM 469 CB THR A 29 -27.325 -17.872 -5.607 1.00 0.00 C ATOM 470 OG1 THR A 29 -28.312 -18.224 -4.641 1.00 0.00 O ATOM 471 CG2 THR A 29 -27.397 -18.997 -6.641 1.00 0.00 C ATOM 0 H THR A 29 -26.333 -17.079 -2.911 1.00 0.00 H new ATOM 0 HA THR A 29 -25.922 -18.850 -4.326 1.00 0.00 H new ATOM 0 HB THR A 29 -27.440 -16.911 -6.108 1.00 0.00 H new ATOM 0 HG1 THR A 29 -29.195 -18.239 -5.066 1.00 0.00 H new ATOM 0 HG21 THR A 29 -28.348 -18.944 -7.171 1.00 0.00 H new ATOM 0 HG22 THR A 29 -26.578 -18.890 -7.353 1.00 0.00 H new ATOM 0 HG23 THR A 29 -27.316 -19.960 -6.137 1.00 0.00 H new ATOM 479 N PRO A 30 -23.588 -17.961 -5.070 1.00 0.00 N ATOM 480 CA PRO A 30 -22.327 -17.870 -5.787 1.00 0.00 C ATOM 481 C PRO A 30 -22.109 -19.102 -6.668 1.00 0.00 C ATOM 482 O PRO A 30 -22.301 -20.232 -6.222 1.00 0.00 O ATOM 483 CB PRO A 30 -21.270 -17.719 -4.706 1.00 0.00 C ATOM 484 CG PRO A 30 -21.920 -18.194 -3.417 1.00 0.00 C ATOM 485 CD PRO A 30 -23.418 -18.285 -3.656 1.00 0.00 C ATOM 0 HA PRO A 30 -22.295 -17.027 -6.477 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -20.386 -18.312 -4.939 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -20.945 -16.682 -4.620 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -21.521 -19.165 -3.123 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -21.705 -17.501 -2.603 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -23.795 -19.282 -3.430 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -23.963 -17.587 -3.021 1.00 0.00 H new ATOM 493 N ARG A 31 -21.709 -18.841 -7.905 1.00 0.00 N ATOM 494 CA ARG A 31 -21.462 -19.914 -8.853 1.00 0.00 C ATOM 495 C ARG A 31 -19.959 -20.076 -9.091 1.00 0.00 C ATOM 496 O ARG A 31 -19.301 -19.156 -9.574 1.00 0.00 O ATOM 497 CB ARG A 31 -22.156 -19.640 -10.188 1.00 0.00 C ATOM 498 CG ARG A 31 -22.621 -20.943 -10.842 1.00 0.00 C ATOM 499 CD ARG A 31 -22.338 -20.932 -12.346 1.00 0.00 C ATOM 500 NE ARG A 31 -21.665 -22.189 -12.743 1.00 0.00 N ATOM 501 CZ ARG A 31 -21.666 -22.681 -13.989 1.00 0.00 C ATOM 502 NH1 ARG A 31 -22.306 -22.026 -14.967 1.00 0.00 N ATOM 503 NH2 ARG A 31 -21.028 -23.828 -14.257 1.00 0.00 N ATOM 0 H ARG A 31 -21.550 -17.903 -8.272 1.00 0.00 H new ATOM 0 HA ARG A 31 -21.867 -20.832 -8.428 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -23.011 -18.983 -10.029 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -21.472 -19.117 -10.857 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -22.113 -21.789 -10.379 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -23.689 -21.080 -10.670 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -23.270 -20.819 -12.899 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -21.711 -20.078 -12.600 1.00 0.00 H new ATOM 0 HE ARG A 31 -21.169 -22.714 -12.022 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -22.792 -21.153 -14.763 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -22.307 -22.400 -15.916 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -20.541 -24.327 -13.512 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -21.029 -24.202 -15.206 1.00 0.00 H new ATOM 517 N ARG A 32 -19.460 -21.253 -8.742 1.00 0.00 N ATOM 518 CA ARG A 32 -18.048 -21.548 -8.912 1.00 0.00 C ATOM 519 C ARG A 32 -17.844 -23.042 -9.171 1.00 0.00 C ATOM 520 O ARG A 32 -18.720 -23.704 -9.726 1.00 0.00 O ATOM 521 CB ARG A 32 -17.247 -21.138 -7.674 1.00 0.00 C ATOM 522 CG ARG A 32 -16.038 -20.284 -8.062 1.00 0.00 C ATOM 523 CD ARG A 32 -15.651 -19.334 -6.926 1.00 0.00 C ATOM 524 NE ARG A 32 -14.348 -18.698 -7.220 1.00 0.00 N ATOM 525 CZ ARG A 32 -13.532 -18.189 -6.286 1.00 0.00 C ATOM 526 NH1 ARG A 32 -13.881 -18.240 -4.993 1.00 0.00 N ATOM 527 NH2 ARG A 32 -12.369 -17.631 -6.645 1.00 0.00 N ATOM 0 H ARG A 32 -20.009 -22.014 -8.342 1.00 0.00 H new ATOM 0 HA ARG A 32 -17.691 -20.976 -9.768 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -17.887 -20.580 -6.991 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -16.912 -22.028 -7.142 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -15.194 -20.930 -8.304 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -16.267 -19.709 -8.959 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -16.418 -18.570 -6.803 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -15.593 -19.883 -5.986 1.00 0.00 H new ATOM 0 HE ARG A 32 -14.052 -18.643 -8.195 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -14.767 -18.666 -4.720 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.261 -17.853 -4.282 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.104 -17.593 -7.629 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -11.748 -17.244 -5.934 1.00 0.00 H new TER 541 ARG A 32