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+ -155:sc= 0 (180deg=-0.229) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot -6:sc= 0.114 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.00056) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.234 K(o=-0.23,f=-2.2!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0727 X(o=-0.073,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -68:sc= 0.47 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -32.239 26.984 1.924 1.00 0.00 N ATOM 2 CA THR A 1 -31.142 27.083 2.872 1.00 0.00 C ATOM 3 C THR A 1 -31.231 25.962 3.910 1.00 0.00 C ATOM 4 O THR A 1 -30.326 25.137 4.016 1.00 0.00 O ATOM 5 CB THR A 1 -31.174 28.484 3.487 1.00 0.00 C ATOM 6 OG1 THR A 1 -30.624 29.321 2.473 1.00 0.00 O ATOM 7 CG2 THR A 1 -30.202 28.631 4.660 1.00 0.00 C ATOM 0 H1 THR A 1 -31.965 27.434 1.027 1.00 0.00 H new ATOM 0 H2 THR A 1 -32.462 25.982 1.755 1.00 0.00 H new ATOM 0 H3 THR A 1 -33.076 27.465 2.311 1.00 0.00 H new ATOM 0 HA THR A 1 -30.179 26.950 2.378 1.00 0.00 H new ATOM 0 HB THR A 1 -32.186 28.709 3.824 1.00 0.00 H new ATOM 0 HG1 THR A 1 -30.609 30.249 2.787 1.00 0.00 H new ATOM 0 HG21 THR A 1 -30.264 29.643 5.060 1.00 0.00 H new ATOM 0 HG22 THR A 1 -30.463 27.916 5.440 1.00 0.00 H new ATOM 0 HG23 THR A 1 -29.186 28.439 4.317 1.00 0.00 H new ATOM 15 N SER A 2 -32.331 25.969 4.649 1.00 0.00 N ATOM 16 CA SER A 2 -32.550 24.963 5.674 1.00 0.00 C ATOM 17 C SER A 2 -33.190 23.718 5.057 1.00 0.00 C ATOM 18 O SER A 2 -33.213 22.656 5.677 1.00 0.00 O ATOM 19 CB SER A 2 -33.428 25.508 6.802 1.00 0.00 C ATOM 20 OG SER A 2 -33.910 24.471 7.652 1.00 0.00 O ATOM 0 H SER A 2 -33.080 26.655 4.558 1.00 0.00 H new ATOM 0 HA SER A 2 -31.584 24.693 6.101 1.00 0.00 H new ATOM 0 HB2 SER A 2 -32.857 26.224 7.392 1.00 0.00 H new ATOM 0 HB3 SER A 2 -34.273 26.049 6.375 1.00 0.00 H new ATOM 0 HG SER A 2 -33.657 23.600 7.281 1.00 0.00 H new ATOM 26 N SER A 3 -33.694 23.890 3.844 1.00 0.00 N ATOM 27 CA SER A 3 -34.333 22.794 3.137 1.00 0.00 C ATOM 28 C SER A 3 -33.296 21.730 2.773 1.00 0.00 C ATOM 29 O SER A 3 -33.624 20.550 2.658 1.00 0.00 O ATOM 30 CB SER A 3 -35.047 23.292 1.878 1.00 0.00 C ATOM 31 OG SER A 3 -36.376 22.788 1.784 1.00 0.00 O ATOM 0 H SER A 3 -33.673 24.772 3.333 1.00 0.00 H new ATOM 0 HA SER A 3 -35.081 22.353 3.796 1.00 0.00 H new ATOM 0 HB2 SER A 3 -35.072 24.382 1.882 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.481 22.990 0.997 1.00 0.00 H new ATOM 0 HG SER A 3 -36.799 23.130 0.968 1.00 0.00 H new ATOM 37 N ILE A 4 -32.063 22.186 2.602 1.00 0.00 N ATOM 38 CA ILE A 4 -30.975 21.288 2.254 1.00 0.00 C ATOM 39 C ILE A 4 -30.505 20.552 3.511 1.00 0.00 C ATOM 40 O ILE A 4 -30.534 19.324 3.562 1.00 0.00 O ATOM 41 CB ILE A 4 -29.861 22.050 1.535 1.00 0.00 C ATOM 42 CG1 ILE A 4 -30.370 22.663 0.228 1.00 0.00 C ATOM 43 CG2 ILE A 4 -28.640 21.155 1.311 1.00 0.00 C ATOM 44 CD1 ILE A 4 -30.321 24.191 0.283 1.00 0.00 C ATOM 0 H ILE A 4 -31.794 23.165 2.698 1.00 0.00 H new ATOM 0 HA ILE A 4 -31.317 20.530 1.549 1.00 0.00 H new ATOM 0 HB ILE A 4 -29.544 22.874 2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -29.765 22.306 -0.605 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -31.393 22.335 0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -27.863 21.722 0.798 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -28.262 20.808 2.273 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -28.925 20.297 0.703 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -30.688 24.601 -0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -30.947 24.546 1.102 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -29.293 24.517 0.444 1.00 0.00 H new ATOM 56 N VAL A 5 -30.082 21.335 4.493 1.00 0.00 N ATOM 57 CA VAL A 5 -29.606 20.773 5.745 1.00 0.00 C ATOM 58 C VAL A 5 -30.506 19.604 6.149 1.00 0.00 C ATOM 59 O VAL A 5 -30.040 18.473 6.280 1.00 0.00 O ATOM 60 CB VAL A 5 -29.530 21.866 6.814 1.00 0.00 C ATOM 61 CG1 VAL A 5 -29.316 21.261 8.202 1.00 0.00 C ATOM 62 CG2 VAL A 5 -28.435 22.881 6.483 1.00 0.00 C ATOM 0 H VAL A 5 -30.059 22.354 4.447 1.00 0.00 H new ATOM 0 HA VAL A 5 -28.596 20.380 5.628 1.00 0.00 H new ATOM 0 HB VAL A 5 -30.484 22.394 6.822 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -29.266 22.059 8.943 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -30.146 20.596 8.441 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -28.384 20.696 8.213 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -28.402 23.647 7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -27.472 22.374 6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -28.650 23.347 5.521 1.00 0.00 H new ATOM 72 N HIS A 6 -31.780 19.916 6.336 1.00 0.00 N ATOM 73 CA HIS A 6 -32.750 18.905 6.722 1.00 0.00 C ATOM 74 C HIS A 6 -32.707 17.745 5.726 1.00 0.00 C ATOM 75 O HIS A 6 -32.557 16.589 6.119 1.00 0.00 O ATOM 76 CB HIS A 6 -34.146 19.516 6.861 1.00 0.00 C ATOM 77 CG HIS A 6 -34.902 19.048 8.081 1.00 0.00 C ATOM 78 ND1 HIS A 6 -35.470 19.922 8.993 1.00 0.00 N ATOM 79 CD2 HIS A 6 -35.179 17.790 8.530 1.00 0.00 C ATOM 80 CE1 HIS A 6 -36.058 19.211 9.943 1.00 0.00 C ATOM 81 NE2 HIS A 6 -35.877 17.890 9.655 1.00 0.00 N ATOM 0 H HIS A 6 -32.163 20.855 6.227 1.00 0.00 H new ATOM 0 HA HIS A 6 -32.493 18.505 7.703 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -34.054 20.602 6.897 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -34.727 19.275 5.971 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -34.881 16.869 8.051 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -36.588 19.608 10.796 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -36.221 17.108 10.212 1.00 0.00 H new ATOM 90 N LEU A 7 -32.841 18.094 4.455 1.00 0.00 N ATOM 91 CA LEU A 7 -32.820 17.096 3.399 1.00 0.00 C ATOM 92 C LEU A 7 -31.599 16.193 3.581 1.00 0.00 C ATOM 93 O LEU A 7 -31.719 14.969 3.564 1.00 0.00 O ATOM 94 CB LEU A 7 -32.888 17.768 2.025 1.00 0.00 C ATOM 95 CG LEU A 7 -32.593 16.868 0.823 1.00 0.00 C ATOM 96 CD1 LEU A 7 -33.714 15.849 0.614 1.00 0.00 C ATOM 97 CD2 LEU A 7 -32.333 17.701 -0.434 1.00 0.00 C ATOM 0 H LEU A 7 -32.965 19.054 4.133 1.00 0.00 H new ATOM 0 HA LEU A 7 -33.701 16.458 3.461 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -33.884 18.193 1.900 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -32.183 18.599 2.014 1.00 0.00 H new ATOM 0 HG LEU A 7 -31.682 16.306 1.031 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -33.480 15.222 -0.246 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -33.809 15.225 1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -34.653 16.373 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -32.126 17.038 -1.274 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -33.212 18.306 -0.658 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -31.476 18.354 -0.267 1.00 0.00 H new ATOM 109 N CYS A 8 -30.450 16.831 3.752 1.00 0.00 N ATOM 110 CA CYS A 8 -29.208 16.100 3.938 1.00 0.00 C ATOM 111 C CYS A 8 -29.417 15.073 5.052 1.00 0.00 C ATOM 112 O CYS A 8 -28.725 14.058 5.103 1.00 0.00 O ATOM 113 CB CYS A 8 -28.039 17.040 4.241 1.00 0.00 C ATOM 114 SG CYS A 8 -27.134 17.429 2.699 1.00 0.00 S ATOM 0 H CYS A 8 -30.353 17.846 3.766 1.00 0.00 H new ATOM 0 HA CYS A 8 -28.945 15.584 3.014 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -28.409 17.958 4.697 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -27.365 16.575 4.961 1.00 0.00 H new ATOM 0 HG CYS A 8 -26.145 18.229 2.966 1.00 0.00 H new ATOM 120 N ALA A 9 -30.376 15.371 5.917 1.00 0.00 N ATOM 121 CA ALA A 9 -30.685 14.486 7.027 1.00 0.00 C ATOM 122 C ALA A 9 -31.948 13.688 6.700 1.00 0.00 C ATOM 123 O ALA A 9 -32.812 13.507 7.557 1.00 0.00 O ATOM 124 CB ALA A 9 -30.830 15.307 8.310 1.00 0.00 C ATOM 0 H ALA A 9 -30.949 16.213 5.871 1.00 0.00 H new ATOM 0 HA ALA A 9 -29.876 13.773 7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -31.062 14.643 9.143 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -29.897 15.832 8.513 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -31.635 16.032 8.189 1.00 0.00 H new ATOM 130 N ILE A 10 -32.017 13.231 5.458 1.00 0.00 N ATOM 131 CA ILE A 10 -33.160 12.456 5.007 1.00 0.00 C ATOM 132 C ILE A 10 -32.718 11.503 3.894 1.00 0.00 C ATOM 133 O ILE A 10 -32.914 10.293 3.995 1.00 0.00 O ATOM 134 CB ILE A 10 -34.309 13.382 4.604 1.00 0.00 C ATOM 135 CG1 ILE A 10 -34.882 14.108 5.823 1.00 0.00 C ATOM 136 CG2 ILE A 10 -35.387 12.615 3.834 1.00 0.00 C ATOM 137 CD1 ILE A 10 -36.088 14.965 5.434 1.00 0.00 C ATOM 0 H ILE A 10 -31.299 13.383 4.750 1.00 0.00 H new ATOM 0 HA ILE A 10 -33.547 11.840 5.819 1.00 0.00 H new ATOM 0 HB ILE A 10 -33.914 14.144 3.932 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -35.177 13.380 6.579 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -34.113 14.738 6.270 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -36.192 13.296 3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -34.953 12.184 2.932 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -35.785 11.818 4.462 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -36.476 15.470 6.319 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -35.784 15.708 4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -36.865 14.329 5.009 1.00 0.00 H new ATOM 149 N SER A 11 -32.131 12.085 2.859 1.00 0.00 N ATOM 150 CA SER A 11 -31.660 11.303 1.729 1.00 0.00 C ATOM 151 C SER A 11 -30.341 10.614 2.082 1.00 0.00 C ATOM 152 O SER A 11 -29.319 10.856 1.442 1.00 0.00 O ATOM 153 CB SER A 11 -31.485 12.180 0.487 1.00 0.00 C ATOM 154 OG SER A 11 -31.893 11.509 -0.702 1.00 0.00 O ATOM 0 H SER A 11 -31.971 13.089 2.779 1.00 0.00 H new ATOM 0 HA SER A 11 -32.409 10.544 1.503 1.00 0.00 H new ATOM 0 HB2 SER A 11 -32.066 13.095 0.604 1.00 0.00 H new ATOM 0 HB3 SER A 11 -30.440 12.475 0.396 1.00 0.00 H new ATOM 0 HG SER A 11 -31.768 12.102 -1.472 1.00 0.00 H new ATOM 160 N LEU A 12 -30.406 9.769 3.101 1.00 0.00 N ATOM 161 CA LEU A 12 -29.229 9.043 3.547 1.00 0.00 C ATOM 162 C LEU A 12 -29.666 7.765 4.266 1.00 0.00 C ATOM 163 O LEU A 12 -29.357 6.661 3.819 1.00 0.00 O ATOM 164 CB LEU A 12 -28.331 9.948 4.393 1.00 0.00 C ATOM 165 CG LEU A 12 -26.824 9.777 4.189 1.00 0.00 C ATOM 166 CD1 LEU A 12 -26.331 8.469 4.812 1.00 0.00 C ATOM 167 CD2 LEU A 12 -26.457 9.880 2.707 1.00 0.00 C ATOM 0 H LEU A 12 -31.255 9.571 3.630 1.00 0.00 H new ATOM 0 HA LEU A 12 -28.623 8.738 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -28.591 10.985 4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -28.558 9.771 5.444 1.00 0.00 H new ATOM 0 HG LEU A 12 -26.315 10.591 4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -25.257 8.372 4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -26.540 8.474 5.882 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -26.844 7.628 4.346 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -25.381 9.755 2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -26.976 9.101 2.149 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -26.753 10.858 2.326 1.00 0.00 H new ATOM 179 N ASP A 13 -30.378 7.957 5.367 1.00 0.00 N ATOM 180 CA ASP A 13 -30.860 6.833 6.152 1.00 0.00 C ATOM 181 C ASP A 13 -31.542 5.825 5.225 1.00 0.00 C ATOM 182 O ASP A 13 -31.287 4.624 5.312 1.00 0.00 O ATOM 183 CB ASP A 13 -31.885 7.287 7.192 1.00 0.00 C ATOM 184 CG ASP A 13 -32.102 6.316 8.354 1.00 0.00 C ATOM 185 OD1 ASP A 13 -31.122 6.095 9.099 1.00 0.00 O ATOM 186 OD2 ASP A 13 -33.241 5.816 8.471 1.00 0.00 O ATOM 0 H ASP A 13 -30.633 8.874 5.734 1.00 0.00 H new ATOM 0 HA ASP A 13 -30.006 6.385 6.659 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -31.568 8.248 7.596 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -32.840 7.450 6.692 1.00 0.00 H new ATOM 191 N ARG A 14 -32.395 6.349 4.358 1.00 0.00 N ATOM 192 CA ARG A 14 -33.116 5.510 3.415 1.00 0.00 C ATOM 193 C ARG A 14 -32.199 4.412 2.874 1.00 0.00 C ATOM 194 O ARG A 14 -32.545 3.232 2.917 1.00 0.00 O ATOM 195 CB ARG A 14 -33.658 6.334 2.246 1.00 0.00 C ATOM 196 CG ARG A 14 -34.829 5.620 1.568 1.00 0.00 C ATOM 197 CD ARG A 14 -34.706 5.690 0.045 1.00 0.00 C ATOM 198 NE ARG A 14 -35.942 6.258 -0.538 1.00 0.00 N ATOM 199 CZ ARG A 14 -36.021 6.781 -1.769 1.00 0.00 C ATOM 200 NH1 ARG A 14 -34.937 6.811 -2.555 1.00 0.00 N ATOM 201 NH2 ARG A 14 -37.186 7.273 -2.214 1.00 0.00 N ATOM 0 H ARG A 14 -32.604 7.345 4.288 1.00 0.00 H new ATOM 0 HA ARG A 14 -33.955 5.060 3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -33.982 7.311 2.604 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -32.864 6.508 1.520 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -34.858 4.578 1.887 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -35.768 6.075 1.882 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -33.849 6.304 -0.231 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -34.528 4.694 -0.360 1.00 0.00 H new ATOM 0 HE ARG A 14 -36.787 6.251 0.033 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -34.051 6.436 -2.216 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -34.997 7.209 -3.492 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -38.012 7.249 -1.615 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -37.247 7.671 -3.151 1.00 0.00 H new ATOM 215 N TYR A 15 -31.047 4.838 2.378 1.00 0.00 N ATOM 216 CA TYR A 15 -30.078 3.905 1.828 1.00 0.00 C ATOM 217 C TYR A 15 -29.347 3.154 2.943 1.00 0.00 C ATOM 218 O TYR A 15 -29.038 1.972 2.801 1.00 0.00 O ATOM 219 CB TYR A 15 -29.067 4.754 1.055 1.00 0.00 C ATOM 220 CG TYR A 15 -29.675 5.539 -0.109 1.00 0.00 C ATOM 221 CD1 TYR A 15 -30.193 6.800 0.105 1.00 0.00 C ATOM 222 CD2 TYR A 15 -29.705 4.986 -1.373 1.00 0.00 C ATOM 223 CE1 TYR A 15 -30.766 7.539 -0.990 1.00 0.00 C ATOM 224 CE2 TYR A 15 -30.278 5.725 -2.469 1.00 0.00 C ATOM 225 CZ TYR A 15 -30.780 6.965 -2.223 1.00 0.00 C ATOM 226 OH TYR A 15 -31.320 7.663 -3.258 1.00 0.00 O ATOM 0 H TYR A 15 -30.763 5.817 2.345 1.00 0.00 H new ATOM 0 HA TYR A 15 -30.572 3.166 1.198 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -28.594 5.454 1.744 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -28.281 4.104 0.670 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -30.169 7.233 1.094 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -29.299 3.999 -1.541 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -31.175 8.526 -0.836 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -30.308 5.304 -3.463 1.00 0.00 H new ATOM 0 HH TYR A 15 -31.260 7.130 -4.078 1.00 0.00 H new ATOM 236 N TRP A 16 -29.092 3.871 4.028 1.00 0.00 N ATOM 237 CA TRP A 16 -28.404 3.287 5.167 1.00 0.00 C ATOM 238 C TRP A 16 -29.022 1.914 5.439 1.00 0.00 C ATOM 239 O TRP A 16 -28.337 0.895 5.366 1.00 0.00 O ATOM 240 CB TRP A 16 -28.460 4.219 6.378 1.00 0.00 C ATOM 241 CG TRP A 16 -27.819 3.639 7.640 1.00 0.00 C ATOM 242 CD1 TRP A 16 -28.370 3.493 8.853 1.00 0.00 C ATOM 243 CD2 TRP A 16 -26.474 3.129 7.765 1.00 0.00 C ATOM 244 NE1 TRP A 16 -27.482 2.928 9.747 1.00 0.00 N ATOM 245 CE2 TRP A 16 -26.293 2.700 9.064 1.00 0.00 C ATOM 246 CE3 TRP A 16 -25.446 3.033 6.812 1.00 0.00 C ATOM 247 CZ2 TRP A 16 -25.094 2.146 9.529 1.00 0.00 C ATOM 248 CZ3 TRP A 16 -24.254 2.477 7.291 1.00 0.00 C ATOM 249 CH2 TRP A 16 -24.055 2.041 8.596 1.00 0.00 C ATOM 0 H TRP A 16 -29.350 4.851 4.142 1.00 0.00 H new ATOM 0 HA TRP A 16 -27.344 3.155 4.951 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -27.961 5.155 6.127 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -29.502 4.460 6.590 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -29.381 3.781 9.100 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -27.665 2.717 10.728 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -25.566 3.362 5.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -24.977 1.818 10.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -23.431 2.380 6.598 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -23.103 1.623 8.889 1.00 0.00 H new ATOM 260 N SER A 17 -30.311 1.931 5.749 1.00 0.00 N ATOM 261 CA SER A 17 -31.029 0.701 6.033 1.00 0.00 C ATOM 262 C SER A 17 -30.815 -0.303 4.898 1.00 0.00 C ATOM 263 O SER A 17 -30.441 -1.450 5.142 1.00 0.00 O ATOM 264 CB SER A 17 -32.522 0.968 6.231 1.00 0.00 C ATOM 265 OG SER A 17 -33.282 -0.238 6.251 1.00 0.00 O ATOM 0 H SER A 17 -30.876 2.778 5.809 1.00 0.00 H new ATOM 0 HA SER A 17 -30.637 0.282 6.960 1.00 0.00 H new ATOM 0 HB2 SER A 17 -32.673 1.507 7.166 1.00 0.00 H new ATOM 0 HB3 SER A 17 -32.885 1.612 5.430 1.00 0.00 H new ATOM 0 HG SER A 17 -34.230 -0.025 6.381 1.00 0.00 H new ATOM 271 N ILE A 18 -31.063 0.163 3.683 1.00 0.00 N ATOM 272 CA ILE A 18 -30.902 -0.680 2.511 1.00 0.00 C ATOM 273 C ILE A 18 -29.516 -1.328 2.540 1.00 0.00 C ATOM 274 O ILE A 18 -29.400 -2.549 2.636 1.00 0.00 O ATOM 275 CB ILE A 18 -31.181 0.118 1.235 1.00 0.00 C ATOM 276 CG1 ILE A 18 -32.609 0.667 1.233 1.00 0.00 C ATOM 277 CG2 ILE A 18 -30.887 -0.720 -0.011 1.00 0.00 C ATOM 278 CD1 ILE A 18 -32.765 1.784 0.199 1.00 0.00 C ATOM 0 H ILE A 18 -31.374 1.114 3.485 1.00 0.00 H new ATOM 0 HA ILE A 18 -31.633 -1.489 2.520 1.00 0.00 H new ATOM 0 HB ILE A 18 -30.507 0.974 1.213 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -33.311 -0.137 1.014 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -32.858 1.046 2.224 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -31.093 -0.130 -0.904 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -29.839 -1.020 -0.009 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -31.519 -1.608 -0.009 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -33.789 2.157 0.218 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -32.078 2.597 0.435 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -32.539 1.395 -0.794 1.00 0.00 H new ATOM 290 N THR A 19 -28.500 -0.482 2.455 1.00 0.00 N ATOM 291 CA THR A 19 -27.127 -0.957 2.471 1.00 0.00 C ATOM 292 C THR A 19 -26.959 -2.066 3.512 1.00 0.00 C ATOM 293 O THR A 19 -26.458 -3.145 3.199 1.00 0.00 O ATOM 294 CB THR A 19 -26.213 0.246 2.711 1.00 0.00 C ATOM 295 OG1 THR A 19 -26.251 0.961 1.479 1.00 0.00 O ATOM 296 CG2 THR A 19 -24.745 -0.156 2.864 1.00 0.00 C ATOM 0 H THR A 19 -28.600 0.530 2.375 1.00 0.00 H new ATOM 0 HA THR A 19 -26.852 -1.406 1.517 1.00 0.00 H new ATOM 0 HB THR A 19 -26.539 0.777 3.605 1.00 0.00 H new ATOM 0 HG1 THR A 19 -25.686 1.759 1.546 1.00 0.00 H new ATOM 0 HG21 THR A 19 -24.140 0.735 3.032 1.00 0.00 H new ATOM 0 HG22 THR A 19 -24.639 -0.832 3.712 1.00 0.00 H new ATOM 0 HG23 THR A 19 -24.409 -0.657 1.956 1.00 0.00 H new ATOM 304 N GLN A 20 -27.386 -1.761 4.728 1.00 0.00 N ATOM 305 CA GLN A 20 -27.288 -2.718 5.817 1.00 0.00 C ATOM 306 C GLN A 20 -27.686 -4.114 5.334 1.00 0.00 C ATOM 307 O GLN A 20 -27.123 -5.113 5.780 1.00 0.00 O ATOM 308 CB GLN A 20 -28.147 -2.284 7.007 1.00 0.00 C ATOM 309 CG GLN A 20 -27.377 -2.430 8.321 1.00 0.00 C ATOM 310 CD GLN A 20 -28.318 -2.793 9.471 1.00 0.00 C ATOM 311 OE1 GLN A 20 -29.514 -2.964 9.298 1.00 0.00 O ATOM 312 NE2 GLN A 20 -27.715 -2.901 10.651 1.00 0.00 N ATOM 0 H GLN A 20 -27.801 -0.865 4.984 1.00 0.00 H new ATOM 0 HA GLN A 20 -26.251 -2.753 6.152 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -28.458 -1.247 6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -29.054 -2.887 7.044 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -26.613 -3.200 8.215 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -26.861 -1.498 8.549 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -26.710 -2.745 10.726 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -28.258 -3.140 11.481 1.00 0.00 H new ATOM 321 N ALA A 21 -28.653 -4.139 4.429 1.00 0.00 N ATOM 322 CA ALA A 21 -29.133 -5.396 3.881 1.00 0.00 C ATOM 323 C ALA A 21 -28.265 -5.789 2.683 1.00 0.00 C ATOM 324 O ALA A 21 -28.782 -6.062 1.601 1.00 0.00 O ATOM 325 CB ALA A 21 -30.611 -5.261 3.510 1.00 0.00 C ATOM 0 H ALA A 21 -29.117 -3.309 4.061 1.00 0.00 H new ATOM 0 HA ALA A 21 -29.055 -6.192 4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -30.971 -6.204 3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -31.188 -5.010 4.400 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -30.729 -4.473 2.766 1.00 0.00 H new ATOM 331 N ILE A 22 -26.961 -5.807 2.918 1.00 0.00 N ATOM 332 CA ILE A 22 -26.017 -6.162 1.872 1.00 0.00 C ATOM 333 C ILE A 22 -24.813 -6.869 2.497 1.00 0.00 C ATOM 334 O ILE A 22 -24.590 -8.054 2.254 1.00 0.00 O ATOM 335 CB ILE A 22 -25.646 -4.930 1.045 1.00 0.00 C ATOM 336 CG1 ILE A 22 -26.888 -4.296 0.416 1.00 0.00 C ATOM 337 CG2 ILE A 22 -24.584 -5.272 -0.003 1.00 0.00 C ATOM 338 CD1 ILE A 22 -26.511 -3.096 -0.454 1.00 0.00 C ATOM 0 H ILE A 22 -26.536 -5.581 3.817 1.00 0.00 H new ATOM 0 HA ILE A 22 -26.470 -6.863 1.171 1.00 0.00 H new ATOM 0 HB ILE A 22 -25.211 -4.188 1.715 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -27.412 -5.037 -0.188 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -27.576 -3.979 1.200 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -24.338 -4.379 -0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -23.687 -5.641 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -24.969 -6.040 -0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -27.412 -2.664 -0.889 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -26.008 -2.347 0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -25.843 -3.421 -1.252 1.00 0.00 H new ATOM 350 N GLU A 23 -24.068 -6.112 3.289 1.00 0.00 N ATOM 351 CA GLU A 23 -22.892 -6.652 3.951 1.00 0.00 C ATOM 352 C GLU A 23 -23.306 -7.575 5.099 1.00 0.00 C ATOM 353 O GLU A 23 -23.166 -7.219 6.268 1.00 0.00 O ATOM 354 CB GLU A 23 -21.981 -5.530 4.451 1.00 0.00 C ATOM 355 CG GLU A 23 -20.715 -5.430 3.598 1.00 0.00 C ATOM 356 CD GLU A 23 -21.023 -4.820 2.229 1.00 0.00 C ATOM 357 OE1 GLU A 23 -21.660 -5.531 1.422 1.00 0.00 O ATOM 358 OE2 GLU A 23 -20.615 -3.657 2.021 1.00 0.00 O ATOM 0 H GLU A 23 -24.256 -5.129 3.487 1.00 0.00 H new ATOM 0 HA GLU A 23 -22.327 -7.238 3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -22.518 -4.582 4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -21.710 -5.713 5.491 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -19.972 -4.820 4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -20.280 -6.421 3.469 1.00 0.00 H new ATOM 365 N TYR A 24 -23.807 -8.744 4.725 1.00 0.00 N ATOM 366 CA TYR A 24 -24.242 -9.721 5.708 1.00 0.00 C ATOM 367 C TYR A 24 -24.571 -11.059 5.044 1.00 0.00 C ATOM 368 O TYR A 24 -24.257 -12.118 5.584 1.00 0.00 O ATOM 369 CB TYR A 24 -25.515 -9.150 6.336 1.00 0.00 C ATOM 370 CG TYR A 24 -25.348 -8.709 7.791 1.00 0.00 C ATOM 371 CD1 TYR A 24 -24.863 -9.596 8.730 1.00 0.00 C ATOM 372 CD2 TYR A 24 -25.683 -7.423 8.165 1.00 0.00 C ATOM 373 CE1 TYR A 24 -24.706 -9.181 10.100 1.00 0.00 C ATOM 374 CE2 TYR A 24 -25.526 -7.008 9.535 1.00 0.00 C ATOM 375 CZ TYR A 24 -25.045 -7.907 10.435 1.00 0.00 C ATOM 376 OH TYR A 24 -24.897 -7.515 11.728 1.00 0.00 O ATOM 0 H TYR A 24 -23.921 -9.036 3.754 1.00 0.00 H new ATOM 0 HA TYR A 24 -23.457 -9.900 6.443 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -25.848 -8.297 5.745 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -26.302 -9.902 6.283 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -24.601 -10.602 8.437 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -26.063 -6.728 7.430 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -24.328 -9.866 10.845 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -25.785 -6.005 9.841 1.00 0.00 H new ATOM 0 HH TYR A 24 -25.177 -6.580 11.821 1.00 0.00 H new ATOM 386 N ASN A 25 -25.199 -10.967 3.881 1.00 0.00 N ATOM 387 CA ASN A 25 -25.574 -12.157 3.136 1.00 0.00 C ATOM 388 C ASN A 25 -24.833 -12.171 1.798 1.00 0.00 C ATOM 389 O ASN A 25 -25.418 -12.489 0.764 1.00 0.00 O ATOM 390 CB ASN A 25 -27.076 -12.175 2.846 1.00 0.00 C ATOM 391 CG ASN A 25 -27.664 -13.567 3.085 1.00 0.00 C ATOM 392 OD1 ASN A 25 -28.140 -14.232 2.179 1.00 0.00 O ATOM 393 ND2 ASN A 25 -27.605 -13.970 4.351 1.00 0.00 N ATOM 0 H ASN A 25 -25.458 -10.086 3.436 1.00 0.00 H new ATOM 0 HA ASN A 25 -25.313 -13.028 3.738 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -27.582 -11.449 3.482 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -27.254 -11.873 1.814 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -27.971 -14.885 4.612 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -27.193 -13.364 5.061 1.00 0.00 H new ATOM 400 N LEU A 26 -23.556 -11.822 1.861 1.00 0.00 N ATOM 401 CA LEU A 26 -22.730 -11.790 0.666 1.00 0.00 C ATOM 402 C LEU A 26 -21.346 -12.356 0.993 1.00 0.00 C ATOM 403 O LEU A 26 -21.002 -13.453 0.557 1.00 0.00 O ATOM 404 CB LEU A 26 -22.693 -10.378 0.078 1.00 0.00 C ATOM 405 CG LEU A 26 -21.606 -10.114 -0.966 1.00 0.00 C ATOM 406 CD1 LEU A 26 -21.786 -11.019 -2.187 1.00 0.00 C ATOM 407 CD2 LEU A 26 -21.562 -8.634 -1.351 1.00 0.00 C ATOM 0 H LEU A 26 -23.074 -11.559 2.720 1.00 0.00 H new ATOM 0 HA LEU A 26 -23.159 -12.423 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -23.662 -10.169 -0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -22.564 -9.669 0.896 1.00 0.00 H new ATOM 0 HG LEU A 26 -20.641 -10.360 -0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -21.000 -10.811 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -21.727 -12.063 -1.878 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -22.759 -10.829 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -20.781 -8.474 -2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -22.525 -8.338 -1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -21.349 -8.034 -0.466 1.00 0.00 H new ATOM 419 N LYS A 27 -20.591 -11.581 1.758 1.00 0.00 N ATOM 420 CA LYS A 27 -19.253 -11.992 2.148 1.00 0.00 C ATOM 421 C LYS A 27 -19.093 -11.822 3.660 1.00 0.00 C ATOM 422 O LYS A 27 -18.256 -11.044 4.116 1.00 0.00 O ATOM 423 CB LYS A 27 -18.201 -11.239 1.330 1.00 0.00 C ATOM 424 CG LYS A 27 -16.787 -11.618 1.775 1.00 0.00 C ATOM 425 CD LYS A 27 -16.118 -12.536 0.750 1.00 0.00 C ATOM 426 CE LYS A 27 -16.298 -14.007 1.131 1.00 0.00 C ATOM 427 NZ LYS A 27 -15.057 -14.542 1.734 1.00 0.00 N ATOM 0 H LYS A 27 -20.880 -10.671 2.118 1.00 0.00 H new ATOM 0 HA LYS A 27 -19.099 -13.048 1.927 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -18.326 -11.467 0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -18.347 -10.165 1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -16.189 -10.716 1.906 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -16.828 -12.117 2.743 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -16.545 -12.357 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -15.056 -12.301 0.685 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -17.124 -14.108 1.835 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -16.560 -14.588 0.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.197 -15.541 1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.277 -14.463 1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -14.824 -13.998 2.589 1.00 0.00 H new ATOM 441 N ARG A 28 -19.908 -12.563 4.397 1.00 0.00 N ATOM 442 CA ARG A 28 -19.868 -12.504 5.848 1.00 0.00 C ATOM 443 C ARG A 28 -20.031 -13.905 6.441 1.00 0.00 C ATOM 444 O ARG A 28 -20.486 -14.822 5.759 1.00 0.00 O ATOM 445 CB ARG A 28 -20.971 -11.595 6.393 1.00 0.00 C ATOM 446 CG ARG A 28 -20.613 -11.073 7.786 1.00 0.00 C ATOM 447 CD ARG A 28 -21.237 -9.698 8.034 1.00 0.00 C ATOM 448 NE ARG A 28 -20.614 -9.065 9.217 1.00 0.00 N ATOM 449 CZ ARG A 28 -20.985 -7.879 9.717 1.00 0.00 C ATOM 450 NH1 ARG A 28 -21.979 -7.190 9.140 1.00 0.00 N ATOM 451 NH2 ARG A 28 -20.362 -7.381 10.795 1.00 0.00 N ATOM 0 H ARG A 28 -20.600 -13.208 4.016 1.00 0.00 H new ATOM 0 HA ARG A 28 -18.900 -12.094 6.137 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -21.124 -10.756 5.714 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -21.911 -12.145 6.437 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -20.962 -11.776 8.542 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -19.530 -11.008 7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -21.100 -9.064 7.158 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -22.311 -9.800 8.189 1.00 0.00 H new ATOM 0 HE ARG A 28 -19.854 -9.563 9.681 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -22.453 -7.569 8.320 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -22.262 -6.287 9.521 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -19.605 -7.905 11.234 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -20.645 -6.478 11.176 1.00 0.00 H new ATOM 465 N THR A 29 -19.651 -14.026 7.704 1.00 0.00 N ATOM 466 CA THR A 29 -19.749 -15.300 8.396 1.00 0.00 C ATOM 467 C THR A 29 -20.719 -15.192 9.575 1.00 0.00 C ATOM 468 O THR A 29 -20.295 -15.043 10.720 1.00 0.00 O ATOM 469 CB THR A 29 -18.338 -15.726 8.807 1.00 0.00 C ATOM 470 OG1 THR A 29 -18.552 -16.733 9.791 1.00 0.00 O ATOM 471 CG2 THR A 29 -17.589 -14.623 9.558 1.00 0.00 C ATOM 0 H THR A 29 -19.275 -13.263 8.266 1.00 0.00 H new ATOM 0 HA THR A 29 -20.160 -16.073 7.746 1.00 0.00 H new ATOM 0 HB THR A 29 -17.772 -16.010 7.920 1.00 0.00 H new ATOM 0 HG1 THR A 29 -18.933 -16.327 10.597 1.00 0.00 H new ATOM 0 HG21 THR A 29 -16.594 -14.977 9.827 1.00 0.00 H new ATOM 0 HG22 THR A 29 -17.502 -13.743 8.920 1.00 0.00 H new ATOM 0 HG23 THR A 29 -18.138 -14.362 10.463 1.00 0.00 H new ATOM 479 N PRO A 30 -22.036 -15.275 9.246 1.00 0.00 N ATOM 480 CA PRO A 30 -23.069 -15.189 10.264 1.00 0.00 C ATOM 481 C PRO A 30 -23.153 -16.486 11.070 1.00 0.00 C ATOM 482 O PRO A 30 -23.074 -17.577 10.508 1.00 0.00 O ATOM 483 CB PRO A 30 -24.347 -14.879 9.502 1.00 0.00 C ATOM 484 CG PRO A 30 -24.074 -15.261 8.057 1.00 0.00 C ATOM 485 CD PRO A 30 -22.574 -15.452 7.900 1.00 0.00 C ATOM 0 HA PRO A 30 -22.866 -14.416 11.006 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -25.188 -15.445 9.903 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -24.605 -13.823 9.585 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -24.605 -16.177 7.798 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -24.432 -14.483 7.382 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -22.340 -16.441 7.507 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -22.152 -14.725 7.206 1.00 0.00 H new ATOM 493 N ARG A 31 -23.313 -16.325 12.376 1.00 0.00 N ATOM 494 CA ARG A 31 -23.410 -17.470 13.265 1.00 0.00 C ATOM 495 C ARG A 31 -24.541 -17.264 14.274 1.00 0.00 C ATOM 496 O ARG A 31 -24.766 -16.149 14.742 1.00 0.00 O ATOM 497 CB ARG A 31 -22.097 -17.693 14.019 1.00 0.00 C ATOM 498 CG ARG A 31 -21.453 -19.021 13.617 1.00 0.00 C ATOM 499 CD ARG A 31 -20.016 -19.113 14.135 1.00 0.00 C ATOM 500 NE ARG A 31 -19.281 -20.168 13.403 1.00 0.00 N ATOM 501 CZ ARG A 31 -19.461 -21.482 13.597 1.00 0.00 C ATOM 502 NH1 ARG A 31 -20.353 -21.910 14.501 1.00 0.00 N ATOM 503 NH2 ARG A 31 -18.749 -22.368 12.887 1.00 0.00 N ATOM 0 H ARG A 31 -23.378 -15.419 12.839 1.00 0.00 H new ATOM 0 HA ARG A 31 -23.619 -18.348 12.654 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -21.410 -16.873 13.810 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -22.284 -17.686 15.093 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -22.040 -19.849 14.014 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -21.459 -19.118 12.531 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -19.513 -18.154 14.009 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -20.019 -19.334 15.202 1.00 0.00 H new ATOM 0 HE ARG A 31 -18.594 -19.877 12.707 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -20.895 -21.236 15.041 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -20.490 -22.910 14.649 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -18.070 -22.042 12.199 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -18.886 -23.368 13.035 1.00 0.00 H new ATOM 517 N ARG A 32 -25.224 -18.358 14.581 1.00 0.00 N ATOM 518 CA ARG A 32 -26.326 -18.311 15.526 1.00 0.00 C ATOM 519 C ARG A 32 -25.842 -18.692 16.926 1.00 0.00 C ATOM 520 O ARG A 32 -24.999 -18.006 17.503 1.00 0.00 O ATOM 521 CB ARG A 32 -27.451 -19.261 15.107 1.00 0.00 C ATOM 522 CG ARG A 32 -26.982 -20.717 15.145 1.00 0.00 C ATOM 523 CD ARG A 32 -28.173 -21.677 15.143 1.00 0.00 C ATOM 524 NE ARG A 32 -28.147 -22.512 13.921 1.00 0.00 N ATOM 525 CZ ARG A 32 -28.633 -22.123 12.735 1.00 0.00 C ATOM 526 NH1 ARG A 32 -29.185 -20.909 12.602 1.00 0.00 N ATOM 527 NH2 ARG A 32 -28.567 -22.947 11.681 1.00 0.00 N ATOM 0 H ARG A 32 -25.035 -19.282 14.192 1.00 0.00 H new ATOM 0 HA ARG A 32 -26.711 -17.291 15.536 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -28.306 -19.133 15.771 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -27.788 -19.010 14.101 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -26.345 -20.920 14.284 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -26.377 -20.885 16.036 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -28.140 -22.312 16.028 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -29.105 -21.114 15.189 1.00 0.00 H new ATOM 0 HE ARG A 32 -27.733 -23.442 13.986 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -29.235 -20.281 13.404 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -29.555 -20.613 11.699 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -28.147 -23.871 11.781 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -28.937 -22.651 10.778 1.00 0.00 H new TER 541 ARG A 32