USER MOD reduce.3.24.130724 H: found=0, std=0, add=157, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 162 hydrogens (42 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 NoAdj-H: A 1 GLY H1 : A 1 GLY N : A 18 ARG C :(NH2R) USER MOD NoAdj-H: A 1 GLY H3 : A 1 GLY N : A 18 ARG C :(NH2R) USER MOD NoAdj-H: A 3 ABA HN2 : A 3 ABA N : A 2 VAL C :(H bumps) USER MOD NoAdj-H: A 3 ABA H : A 3 ABA N : A 2 VAL C :(H bumps) USER MOD NoAdj-H: A 5 ABA HN2 : A 5 ABA N : A 4 ARG C :(H bumps) USER MOD NoAdj-H: A 5 ABA H : A 5 ABA N : A 4 ARG C :(H bumps) USER MOD NoAdj-H: A 7 ABA HN2 : A 7 ABA N : A 6 VAL C :(H bumps) USER MOD NoAdj-H: A 7 ABA H : A 7 ABA N : A 6 VAL C :(H bumps) USER MOD NoAdj-H: A 12 ABA HN2 : A 12 ABA N : A 11 VAL C :(H bumps) USER MOD NoAdj-H: A 12 ABA H : A 12 ABA N : A 11 VAL C :(H bumps) USER MOD NoAdj-H: A 14 ABA HN2 : A 14 ABA N : A 13 ARG C :(H bumps) USER MOD NoAdj-H: A 14 ABA H : A 14 ABA N : A 13 ARG C :(H bumps) USER MOD NoAdj-H: A 16 ABA HN2 : A 16 ABA N : A 15 VAL C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.284 (180deg=-0.284) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.067 -0.414 -1.083 1.00 0.00 N ATOM 2 CA GLY A 1 -12.274 -1.666 -1.741 1.00 0.00 C ATOM 3 C GLY A 1 -10.945 -2.310 -2.066 1.00 0.00 C ATOM 4 O GLY A 1 -10.860 -3.513 -2.269 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.987 0.020 -0.865 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.861 -2.328 -1.104 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.846 -1.514 -2.656 1.00 0.00 H new ATOM 8 N VAL A 2 -9.896 -1.498 -2.105 1.00 0.00 N ATOM 9 CA VAL A 2 -8.565 -1.982 -2.392 1.00 0.00 C ATOM 10 C VAL A 2 -7.481 -1.126 -1.701 1.00 0.00 C ATOM 11 O VAL A 2 -7.179 0.005 -2.114 1.00 0.00 O ATOM 12 CB VAL A 2 -8.293 -2.165 -3.938 1.00 0.00 C ATOM 13 CG1 VAL A 2 -8.508 -0.882 -4.730 1.00 0.00 C ATOM 14 CG2 VAL A 2 -6.896 -2.730 -4.189 1.00 0.00 C ATOM 0 H VAL A 2 -9.950 -0.493 -1.939 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.504 -2.982 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.028 -2.885 -4.298 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.307 -1.068 -5.785 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.539 -0.549 -4.610 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.832 -0.110 -4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -6.737 -2.845 -5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -6.149 -2.048 -3.783 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.803 -3.701 -3.702 1.00 0.00 H new HETATM 24 N ABA A 3 -6.943 -1.646 -0.637 1.00 0.00 N HETATM 25 CA ABA A 3 -5.899 -0.990 0.111 1.00 0.00 C HETATM 26 C ABA A 3 -4.706 -1.907 0.159 1.00 0.00 C HETATM 27 O ABA A 3 -4.854 -3.114 0.370 1.00 0.00 O HETATM 28 CB ABA A 3 -6.350 -0.669 1.543 1.00 0.00 C HETATM 29 CG ABA A 3 -7.524 0.276 1.635 1.00 0.00 C HETATM 0 HG3 ABA A 3 -8.383 -0.159 1.124 1.00 0.00 H new HETATM 0 HG2 ABA A 3 -7.265 1.225 1.165 1.00 0.00 H new HETATM 0 HG1 ABA A 3 -7.773 0.446 2.682 1.00 0.00 H new HETATM 0 HB3 ABA A 3 -5.510 -0.237 2.087 1.00 0.00 H new HETATM 0 HB2 ABA A 3 -6.610 -1.601 2.045 1.00 0.00 H new HETATM 0 HA ABA A 3 -5.651 -0.049 -0.380 1.00 0.00 H new ATOM 37 N ARG A 4 -3.540 -1.371 -0.048 1.00 0.00 N ATOM 38 CA ARG A 4 -2.342 -2.176 -0.005 1.00 0.00 C ATOM 39 C ARG A 4 -1.626 -1.959 1.302 1.00 0.00 C ATOM 40 O ARG A 4 -1.777 -0.901 1.926 1.00 0.00 O ATOM 41 CB ARG A 4 -1.420 -1.871 -1.185 1.00 0.00 C ATOM 42 CG ARG A 4 -2.042 -2.151 -2.544 1.00 0.00 C ATOM 43 CD ARG A 4 -2.525 -3.587 -2.653 1.00 0.00 C ATOM 44 NE ARG A 4 -3.032 -3.898 -3.984 1.00 0.00 N ATOM 45 CZ ARG A 4 -3.276 -5.125 -4.432 1.00 0.00 C ATOM 46 NH1 ARG A 4 -3.026 -6.183 -3.663 1.00 0.00 N ATOM 47 NH2 ARG A 4 -3.751 -5.296 -5.653 1.00 0.00 N ATOM 0 H ARG A 4 -3.386 -0.383 -0.248 1.00 0.00 H new ATOM 0 HA ARG A 4 -2.632 -3.224 -0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -1.125 -0.823 -1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -0.510 -2.463 -1.084 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -2.878 -1.472 -2.709 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -1.311 -1.952 -3.327 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.705 -4.264 -2.411 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.310 -3.761 -1.917 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.212 -3.118 -4.616 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.646 -6.054 -2.726 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -3.215 -7.123 -4.011 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.929 -4.487 -6.249 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.939 -6.237 -6.000 1.00 0.00 H new HETATM 61 N ABA A 5 -0.882 -2.944 1.727 1.00 0.00 N HETATM 62 CA ABA A 5 -0.135 -2.885 2.963 1.00 0.00 C HETATM 63 C ABA A 5 1.327 -3.219 2.685 1.00 0.00 C HETATM 64 O ABA A 5 1.778 -4.351 2.878 1.00 0.00 O HETATM 65 CB ABA A 5 -0.722 -3.859 3.996 1.00 0.00 C HETATM 66 CG ABA A 5 -2.188 -3.618 4.309 1.00 0.00 C HETATM 0 HG3 ABA A 5 -2.777 -3.723 3.398 1.00 0.00 H new HETATM 0 HG2 ABA A 5 -2.314 -2.612 4.708 1.00 0.00 H new HETATM 0 HG1 ABA A 5 -2.527 -4.346 5.046 1.00 0.00 H new HETATM 0 HB3 ABA A 5 -0.147 -3.784 4.919 1.00 0.00 H new HETATM 0 HB2 ABA A 5 -0.602 -4.878 3.628 1.00 0.00 H new HETATM 0 HA ABA A 5 -0.202 -1.878 3.374 1.00 0.00 H new ATOM 74 N VAL A 6 2.047 -2.250 2.188 1.00 0.00 N ATOM 75 CA VAL A 6 3.448 -2.398 1.872 1.00 0.00 C ATOM 76 C VAL A 6 4.173 -1.258 2.531 1.00 0.00 C ATOM 77 O VAL A 6 3.835 -0.109 2.321 1.00 0.00 O ATOM 78 CB VAL A 6 3.726 -2.352 0.345 1.00 0.00 C ATOM 79 CG1 VAL A 6 5.177 -2.699 0.041 1.00 0.00 C ATOM 80 CG2 VAL A 6 2.779 -3.250 -0.437 1.00 0.00 C ATOM 0 H VAL A 6 1.675 -1.322 1.987 1.00 0.00 H new ATOM 0 HA VAL A 6 3.786 -3.371 2.228 1.00 0.00 H new ATOM 0 HB VAL A 6 3.543 -1.328 0.019 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.343 -2.659 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.834 -1.984 0.536 1.00 0.00 H new ATOM 0 HG13 VAL A 6 5.395 -3.703 0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.011 -3.185 -1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.895 -4.281 -0.102 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.751 -2.928 -0.270 1.00 0.00 H new HETATM 90 N ABA A 7 5.121 -1.575 3.337 1.00 0.00 N HETATM 91 CA ABA A 7 5.843 -0.596 4.088 1.00 0.00 C HETATM 92 C ABA A 7 7.345 -0.834 3.974 1.00 0.00 C HETATM 93 O ABA A 7 8.025 -1.167 4.943 1.00 0.00 O HETATM 94 CB ABA A 7 5.363 -0.627 5.545 1.00 0.00 C HETATM 95 CG ABA A 7 5.343 -2.010 6.184 1.00 0.00 C HETATM 0 HG3 ABA A 7 6.349 -2.429 6.177 1.00 0.00 H new HETATM 0 HG2 ABA A 7 4.675 -2.662 5.620 1.00 0.00 H new HETATM 0 HG1 ABA A 7 4.990 -1.931 7.212 1.00 0.00 H new HETATM 0 HB3 ABA A 7 4.358 -0.207 5.590 1.00 0.00 H new HETATM 0 HB2 ABA A 7 6.007 0.022 6.138 1.00 0.00 H new HETATM 0 HA ABA A 7 5.650 0.398 3.685 1.00 0.00 H new ATOM 103 N ARG A 8 7.860 -0.672 2.789 1.00 0.00 N ATOM 104 CA ARG A 8 9.241 -0.934 2.521 1.00 0.00 C ATOM 105 C ARG A 8 9.926 0.366 2.197 1.00 0.00 C ATOM 106 O ARG A 8 9.271 1.364 1.897 1.00 0.00 O ATOM 107 CB ARG A 8 9.369 -1.906 1.342 1.00 0.00 C ATOM 108 CG ARG A 8 8.565 -3.189 1.506 1.00 0.00 C ATOM 109 CD ARG A 8 8.947 -3.946 2.769 1.00 0.00 C ATOM 110 NE ARG A 8 8.057 -5.081 3.001 1.00 0.00 N ATOM 111 CZ ARG A 8 7.710 -5.556 4.204 1.00 0.00 C ATOM 112 NH1 ARG A 8 8.224 -5.030 5.318 1.00 0.00 N ATOM 113 NH2 ARG A 8 6.866 -6.569 4.289 1.00 0.00 N ATOM 0 H ARG A 8 7.329 -0.353 1.979 1.00 0.00 H new ATOM 0 HA ARG A 8 9.709 -1.387 3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 8 9.046 -1.401 0.432 1.00 0.00 H new ATOM 0 HB3 ARG A 8 10.420 -2.163 1.209 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.502 -2.949 1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 8 8.724 -3.829 0.638 1.00 0.00 H new ATOM 0 HD2 ARG A 8 9.975 -4.299 2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.909 -3.272 3.624 1.00 0.00 H new ATOM 0 HE ARG A 8 7.669 -5.549 2.182 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.888 -4.258 5.258 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.952 -5.400 6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 8 6.482 -6.985 3.441 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.598 -6.935 5.203 1.00 0.00 H new ATOM 127 N ARG A 9 11.229 0.355 2.246 1.00 0.00 N ATOM 128 CA ARG A 9 12.008 1.544 1.970 1.00 0.00 C ATOM 129 C ARG A 9 12.056 1.786 0.488 1.00 0.00 C ATOM 130 O ARG A 9 12.803 1.132 -0.240 1.00 0.00 O ATOM 131 CB ARG A 9 13.417 1.459 2.555 1.00 0.00 C ATOM 132 CG ARG A 9 13.432 1.333 4.061 1.00 0.00 C ATOM 133 CD ARG A 9 14.832 1.454 4.624 1.00 0.00 C ATOM 134 NE ARG A 9 15.732 0.385 4.181 1.00 0.00 N ATOM 135 CZ ARG A 9 17.044 0.358 4.433 1.00 0.00 C ATOM 136 NH1 ARG A 9 17.637 1.402 4.997 1.00 0.00 N ATOM 137 NH2 ARG A 9 17.763 -0.699 4.094 1.00 0.00 N ATOM 0 H ARG A 9 11.784 -0.469 2.476 1.00 0.00 H new ATOM 0 HA ARG A 9 11.518 2.387 2.457 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.932 0.602 2.120 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.977 2.348 2.266 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.798 2.105 4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.007 0.372 4.349 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.251 2.417 4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.780 1.447 5.713 1.00 0.00 H new ATOM 0 HE ARG A 9 15.332 -0.386 3.647 1.00 0.00 H new ATOM 0 HH11 ARG A 9 17.091 2.229 5.240 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.639 1.378 5.188 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.316 -1.495 3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 9 18.764 -0.718 4.287 1.00 0.00 H new ATOM 151 N GLY A 10 11.230 2.687 0.050 1.00 0.00 N ATOM 152 CA GLY A 10 11.123 3.009 -1.331 1.00 0.00 C ATOM 153 C GLY A 10 9.754 2.663 -1.845 1.00 0.00 C ATOM 154 O GLY A 10 9.240 3.311 -2.761 1.00 0.00 O ATOM 0 H GLY A 10 10.606 3.223 0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.316 4.071 -1.479 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.879 2.465 -1.897 1.00 0.00 H new ATOM 158 N VAL A 11 9.145 1.667 -1.240 1.00 0.00 N ATOM 159 CA VAL A 11 7.841 1.195 -1.658 1.00 0.00 C ATOM 160 C VAL A 11 6.882 1.237 -0.471 1.00 0.00 C ATOM 161 O VAL A 11 6.849 0.312 0.357 1.00 0.00 O ATOM 162 CB VAL A 11 7.892 -0.257 -2.237 1.00 0.00 C ATOM 163 CG1 VAL A 11 6.540 -0.665 -2.818 1.00 0.00 C ATOM 164 CG2 VAL A 11 8.990 -0.406 -3.287 1.00 0.00 C ATOM 0 H VAL A 11 9.538 1.162 -0.446 1.00 0.00 H new ATOM 0 HA VAL A 11 7.492 1.853 -2.454 1.00 0.00 H new ATOM 0 HB VAL A 11 8.128 -0.926 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.605 -1.679 -3.213 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.782 -0.628 -2.036 1.00 0.00 H new ATOM 0 HG13 VAL A 11 6.267 0.020 -3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.995 -1.428 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.804 0.285 -4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.957 -0.182 -2.837 1.00 0.00 H new HETATM 174 N ABA A 12 6.157 2.314 -0.369 1.00 0.00 N HETATM 175 CA ABA A 12 5.188 2.504 0.680 1.00 0.00 C HETATM 176 C ABA A 12 3.805 2.435 0.090 1.00 0.00 C HETATM 177 O ABA A 12 3.616 2.638 -1.114 1.00 0.00 O HETATM 178 CB ABA A 12 5.395 3.845 1.384 1.00 0.00 C HETATM 179 CG ABA A 12 6.676 3.923 2.172 1.00 0.00 C HETATM 0 HG3 ABA A 12 7.524 3.773 1.504 1.00 0.00 H new HETATM 0 HG2 ABA A 12 6.678 3.150 2.940 1.00 0.00 H new HETATM 0 HG1 ABA A 12 6.754 4.903 2.643 1.00 0.00 H new HETATM 0 HB3 ABA A 12 4.555 4.027 2.054 1.00 0.00 H new HETATM 0 HB2 ABA A 12 5.388 4.641 0.640 1.00 0.00 H new HETATM 0 HA ABA A 12 5.313 1.716 1.423 1.00 0.00 H new ATOM 187 N ARG A 13 2.850 2.135 0.916 1.00 0.00 N ATOM 188 CA ARG A 13 1.500 1.970 0.475 1.00 0.00 C ATOM 189 C ARG A 13 0.757 3.282 0.274 1.00 0.00 C ATOM 190 O ARG A 13 0.171 3.850 1.187 1.00 0.00 O ATOM 191 CB ARG A 13 0.743 0.919 1.337 1.00 0.00 C ATOM 192 CG ARG A 13 0.850 1.067 2.874 1.00 0.00 C ATOM 193 CD ARG A 13 -0.187 2.000 3.473 1.00 0.00 C ATOM 194 NE ARG A 13 -1.553 1.468 3.318 1.00 0.00 N ATOM 195 CZ ARG A 13 -2.665 2.047 3.793 1.00 0.00 C ATOM 196 NH1 ARG A 13 -2.596 3.201 4.455 1.00 0.00 N ATOM 197 NH2 ARG A 13 -3.840 1.455 3.616 1.00 0.00 N ATOM 0 H ARG A 13 2.986 1.997 1.918 1.00 0.00 H new ATOM 0 HA ARG A 13 1.542 1.553 -0.531 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -0.312 0.954 1.065 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.110 -0.071 1.065 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.748 0.083 3.332 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.845 1.435 3.126 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.027 2.151 4.531 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.120 2.976 2.992 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.661 0.590 2.809 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.693 3.650 4.604 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.447 3.635 4.813 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.893 0.565 3.121 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.690 1.890 3.975 1.00 0.00 H new HETATM 211 N ABA A 14 0.795 3.749 -0.949 1.00 0.00 N HETATM 212 CA ABA A 14 0.075 4.947 -1.349 1.00 0.00 C HETATM 213 C ABA A 14 -1.143 4.554 -2.155 1.00 0.00 C HETATM 214 O ABA A 14 -1.669 5.323 -2.973 1.00 0.00 O HETATM 215 CB ABA A 14 0.970 5.892 -2.146 1.00 0.00 C HETATM 216 CG ABA A 14 2.170 6.399 -1.384 1.00 0.00 C HETATM 0 HG3 ABA A 14 2.789 5.556 -1.077 1.00 0.00 H new HETATM 0 HG2 ABA A 14 1.837 6.944 -0.501 1.00 0.00 H new HETATM 0 HG1 ABA A 14 2.752 7.064 -2.022 1.00 0.00 H new HETATM 0 HB3 ABA A 14 0.376 6.745 -2.476 1.00 0.00 H new HETATM 0 HB2 ABA A 14 1.314 5.378 -3.043 1.00 0.00 H new HETATM 0 HA ABA A 14 -0.242 5.481 -0.453 1.00 0.00 H new ATOM 224 N VAL A 15 -1.573 3.346 -1.918 1.00 0.00 N ATOM 225 CA VAL A 15 -2.725 2.773 -2.562 1.00 0.00 C ATOM 226 C VAL A 15 -3.736 2.469 -1.490 1.00 0.00 C ATOM 227 O VAL A 15 -3.560 1.522 -0.685 1.00 0.00 O ATOM 228 CB VAL A 15 -2.405 1.460 -3.292 1.00 0.00 C ATOM 229 CG1 VAL A 15 -3.620 0.962 -4.078 1.00 0.00 C ATOM 230 CG2 VAL A 15 -1.171 1.574 -4.176 1.00 0.00 C ATOM 0 H VAL A 15 -1.122 2.716 -1.255 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.089 3.485 -3.302 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.169 0.717 -2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.368 0.031 -4.586 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.450 0.789 -3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.908 1.711 -4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.988 0.620 -4.670 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.332 2.346 -4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.308 1.838 -3.564 1.00 0.00 H new HETATM 240 N ABA A 16 -4.745 3.250 -1.467 1.00 0.00 N HETATM 241 CA ABA A 16 -5.781 3.155 -0.477 1.00 0.00 C HETATM 242 C ABA A 16 -7.108 3.606 -1.077 1.00 0.00 C HETATM 243 O ABA A 16 -7.444 4.790 -1.074 1.00 0.00 O HETATM 244 CB ABA A 16 -5.412 4.011 0.760 1.00 0.00 C HETATM 245 CG ABA A 16 -6.391 3.907 1.917 1.00 0.00 C HETATM 0 HG3 ABA A 16 -6.446 2.872 2.255 1.00 0.00 H new HETATM 0 HG2 ABA A 16 -7.378 4.235 1.589 1.00 0.00 H new HETATM 0 HG1 ABA A 16 -6.052 4.539 2.738 1.00 0.00 H new HETATM 0 HB3 ABA A 16 -5.341 5.055 0.455 1.00 0.00 H new HETATM 0 HB2 ABA A 16 -4.424 3.713 1.110 1.00 0.00 H new HETATM 0 HA ABA A 16 -5.882 2.119 -0.155 1.00 0.00 H new HETATM 0 H ABA A 16 -4.966 3.582 -2.406 1.00 0.00 H new ATOM 253 N ARG A 17 -7.831 2.679 -1.631 1.00 0.00 N ATOM 254 CA ARG A 17 -9.135 2.934 -2.160 1.00 0.00 C ATOM 255 C ARG A 17 -10.107 2.141 -1.348 1.00 0.00 C ATOM 256 O ARG A 17 -9.734 1.138 -0.748 1.00 0.00 O ATOM 257 CB ARG A 17 -9.254 2.497 -3.613 1.00 0.00 C ATOM 258 CG ARG A 17 -8.363 3.226 -4.590 1.00 0.00 C ATOM 259 CD ARG A 17 -8.691 2.789 -5.999 1.00 0.00 C ATOM 260 NE ARG A 17 -7.914 3.492 -7.010 1.00 0.00 N ATOM 261 CZ ARG A 17 -7.930 3.188 -8.313 1.00 0.00 C ATOM 262 NH1 ARG A 17 -8.676 2.172 -8.753 1.00 0.00 N ATOM 263 NH2 ARG A 17 -7.200 3.888 -9.166 1.00 0.00 N ATOM 0 H ARG A 17 -7.526 1.711 -1.729 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.332 4.005 -2.115 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.032 1.431 -3.672 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.290 2.625 -3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.502 4.303 -4.491 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.316 3.018 -4.368 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.512 1.718 -6.092 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.752 2.953 -6.186 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.321 4.264 -6.706 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.234 1.627 -8.096 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -8.688 1.941 -9.746 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.624 4.660 -8.831 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.213 3.655 -10.159 1.00 0.00 H new ATOM 277 N ARG A 18 -11.332 2.560 -1.340 1.00 0.00 N ATOM 278 CA ARG A 18 -12.365 1.885 -0.577 1.00 0.00 C ATOM 279 C ARG A 18 -12.803 0.636 -1.308 1.00 0.00 C ATOM 280 O ARG A 18 -13.767 0.646 -2.080 1.00 0.00 O ATOM 281 CB ARG A 18 -13.536 2.832 -0.300 1.00 0.00 C ATOM 282 CG ARG A 18 -13.112 4.109 0.417 1.00 0.00 C ATOM 283 CD ARG A 18 -12.406 3.785 1.720 1.00 0.00 C ATOM 284 NE ARG A 18 -11.862 4.969 2.375 1.00 0.00 N ATOM 285 CZ ARG A 18 -11.209 4.957 3.546 1.00 0.00 C ATOM 286 NH1 ARG A 18 -11.037 3.811 4.214 1.00 0.00 N ATOM 287 NH2 ARG A 18 -10.713 6.086 4.031 1.00 0.00 N ATOM 0 H ARG A 18 -11.657 3.377 -1.857 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.965 1.584 0.391 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.016 3.094 -1.243 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.281 2.313 0.303 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.451 4.690 -0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.987 4.728 0.616 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.105 3.291 2.394 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.598 3.079 1.525 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.987 5.868 1.910 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.404 2.939 3.833 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.539 3.809 5.104 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.829 6.958 3.514 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -10.215 6.083 4.921 1.00 0.00 H new TER 301 ARG A 18