USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 142 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 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.309 -2.225 0.574 1.00 0.00 N ATOM 2 CA GLY A 1 -13.103 -3.519 -0.070 1.00 0.00 C ATOM 3 C GLY A 1 -11.890 -3.570 -0.980 1.00 0.00 C ATOM 4 O GLY A 1 -11.394 -4.654 -1.313 1.00 0.00 O ATOM 0 H2 GLY A 1 -14.154 -2.269 1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.999 -4.284 0.700 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.991 -3.770 -0.651 1.00 0.00 H new ATOM 8 N ILE A 2 -11.420 -2.423 -1.384 1.00 0.00 N ATOM 9 CA ILE A 2 -10.308 -2.306 -2.280 1.00 0.00 C ATOM 10 C ILE A 2 -9.170 -1.650 -1.531 1.00 0.00 C ATOM 11 O ILE A 2 -9.399 -0.830 -0.620 1.00 0.00 O ATOM 12 CB ILE A 2 -10.680 -1.420 -3.526 1.00 0.00 C ATOM 13 CG1 ILE A 2 -11.945 -1.942 -4.232 1.00 0.00 C ATOM 14 CG2 ILE A 2 -9.519 -1.312 -4.527 1.00 0.00 C ATOM 15 CD1 ILE A 2 -11.818 -3.343 -4.795 1.00 0.00 C ATOM 0 H ILE A 2 -11.809 -1.526 -1.093 1.00 0.00 H new ATOM 0 HA ILE A 2 -10.027 -3.297 -2.636 1.00 0.00 H new ATOM 0 HB ILE A 2 -10.885 -0.420 -3.144 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -12.775 -1.922 -3.525 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -12.201 -1.260 -5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -9.822 -0.691 -5.370 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -8.656 -0.861 -4.036 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.254 -2.307 -4.886 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -12.755 -3.629 -5.274 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -11.013 -3.369 -5.529 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -11.595 -4.041 -3.988 1.00 0.00 H new ATOM 27 N CYS A 3 -7.983 -2.028 -1.869 1.00 0.00 N ATOM 28 CA CYS A 3 -6.811 -1.439 -1.325 1.00 0.00 C ATOM 29 C CYS A 3 -5.936 -0.975 -2.456 1.00 0.00 C ATOM 30 O CYS A 3 -5.950 -1.552 -3.551 1.00 0.00 O ATOM 31 CB CYS A 3 -6.049 -2.418 -0.446 1.00 0.00 C ATOM 32 SG CYS A 3 -7.014 -3.124 0.939 1.00 0.00 S ATOM 0 H CYS A 3 -7.799 -2.770 -2.545 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.101 -0.596 -0.698 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.684 -3.235 -1.069 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.173 -1.912 -0.039 1.00 0.00 H new ATOM 37 N ARG A 4 -5.218 0.063 -2.211 1.00 0.00 N ATOM 38 CA ARG A 4 -4.313 0.622 -3.169 1.00 0.00 C ATOM 39 C ARG A 4 -2.955 0.683 -2.515 1.00 0.00 C ATOM 40 O ARG A 4 -2.772 1.367 -1.504 1.00 0.00 O ATOM 41 CB ARG A 4 -4.790 2.016 -3.601 1.00 0.00 C ATOM 42 CG ARG A 4 -4.007 2.637 -4.757 1.00 0.00 C ATOM 43 CD ARG A 4 -4.048 1.752 -6.003 1.00 0.00 C ATOM 44 NE ARG A 4 -5.423 1.420 -6.426 1.00 0.00 N ATOM 45 CZ ARG A 4 -5.780 0.275 -7.048 1.00 0.00 C ATOM 46 NH1 ARG A 4 -4.861 -0.617 -7.371 1.00 0.00 N ATOM 47 NH2 ARG A 4 -7.052 0.041 -7.357 1.00 0.00 N ATOM 0 H ARG A 4 -5.239 0.563 -1.322 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.266 0.010 -4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.840 1.952 -3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.733 2.685 -2.742 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.421 3.618 -4.992 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.972 2.792 -4.454 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.534 2.259 -6.820 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.501 0.830 -5.806 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.155 2.104 -6.235 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.881 -0.442 -7.151 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -5.132 -1.481 -7.841 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -7.768 0.729 -7.124 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -7.311 -0.826 -7.827 1.00 0.00 H new ATOM 61 N CYS A 5 -2.043 -0.072 -3.029 1.00 0.00 N ATOM 62 CA CYS A 5 -0.762 -0.189 -2.453 1.00 0.00 C ATOM 63 C CYS A 5 0.263 0.635 -3.208 1.00 0.00 C ATOM 64 O CYS A 5 0.490 0.440 -4.414 1.00 0.00 O ATOM 65 CB CYS A 5 -0.371 -1.657 -2.416 1.00 0.00 C ATOM 66 SG CYS A 5 -1.614 -2.732 -1.596 1.00 0.00 S ATOM 0 H CYS A 5 -2.176 -0.629 -3.873 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.790 0.202 -1.436 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.216 -2.008 -3.436 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.582 -1.757 -1.896 1.00 0.00 H new ATOM 71 N ILE A 6 0.818 1.596 -2.523 1.00 0.00 N ATOM 72 CA ILE A 6 1.893 2.373 -3.031 1.00 0.00 C ATOM 73 C ILE A 6 3.164 1.686 -2.583 1.00 0.00 C ATOM 74 O ILE A 6 3.244 1.237 -1.438 1.00 0.00 O ATOM 75 CB ILE A 6 1.836 3.856 -2.547 1.00 0.00 C ATOM 76 CG1 ILE A 6 1.780 3.948 -1.009 1.00 0.00 C ATOM 77 CG2 ILE A 6 0.641 4.564 -3.166 1.00 0.00 C ATOM 78 CD1 ILE A 6 1.710 5.360 -0.469 1.00 0.00 C ATOM 0 H ILE A 6 0.525 1.858 -1.582 1.00 0.00 H new ATOM 0 HA ILE A 6 1.840 2.431 -4.118 1.00 0.00 H new ATOM 0 HB ILE A 6 2.751 4.351 -2.874 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.911 3.393 -0.655 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.661 3.457 -0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.612 5.598 -2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.730 4.546 -4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.277 4.056 -2.869 1.00 0.00 H new ATOM 0 HD11 ILE A 6 1.674 5.332 0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 6 2.592 5.916 -0.788 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.814 5.851 -0.849 1.00 0.00 H new ATOM 90 N CYS A 7 4.115 1.557 -3.436 1.00 0.00 N ATOM 91 CA CYS A 7 5.289 0.781 -3.119 1.00 0.00 C ATOM 92 C CYS A 7 6.566 1.562 -3.267 1.00 0.00 C ATOM 93 O CYS A 7 6.656 2.495 -4.076 1.00 0.00 O ATOM 94 CB CYS A 7 5.333 -0.464 -3.990 1.00 0.00 C ATOM 95 SG CYS A 7 3.915 -1.587 -3.759 1.00 0.00 S ATOM 0 H CYS A 7 4.116 1.975 -4.366 1.00 0.00 H new ATOM 0 HA CYS A 7 5.213 0.500 -2.068 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.376 -0.161 -5.036 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.253 -1.010 -3.779 1.00 0.00 H new ATOM 100 N GLY A 8 7.536 1.205 -2.464 1.00 0.00 N ATOM 101 CA GLY A 8 8.840 1.786 -2.569 1.00 0.00 C ATOM 102 C GLY A 8 9.763 0.852 -3.292 1.00 0.00 C ATOM 103 O GLY A 8 9.557 0.548 -4.479 1.00 0.00 O ATOM 0 H GLY A 8 7.440 0.508 -1.726 1.00 0.00 H new ATOM 0 HA2 GLY A 8 8.782 2.736 -3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.232 2.000 -1.575 1.00 0.00 H new ATOM 107 N ARG A 9 10.747 0.360 -2.590 1.00 0.00 N ATOM 108 CA ARG A 9 11.672 -0.586 -3.158 1.00 0.00 C ATOM 109 C ARG A 9 11.033 -1.964 -3.166 1.00 0.00 C ATOM 110 O ARG A 9 10.771 -2.526 -4.221 1.00 0.00 O ATOM 111 CB ARG A 9 12.991 -0.606 -2.373 1.00 0.00 C ATOM 112 CG ARG A 9 13.754 0.710 -2.372 1.00 0.00 C ATOM 113 CD ARG A 9 14.251 1.074 -3.761 1.00 0.00 C ATOM 114 NE ARG A 9 15.006 2.337 -3.767 1.00 0.00 N ATOM 115 CZ ARG A 9 16.097 2.576 -4.518 1.00 0.00 C ATOM 116 NH1 ARG A 9 16.634 1.607 -5.249 1.00 0.00 N ATOM 117 NH2 ARG A 9 16.646 3.777 -4.530 1.00 0.00 N ATOM 0 H ARG A 9 10.931 0.600 -1.616 1.00 0.00 H new ATOM 0 HA ARG A 9 11.903 -0.287 -4.180 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.779 -0.887 -1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.633 -1.382 -2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.109 1.504 -1.997 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.601 0.639 -1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.884 0.272 -4.140 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.402 1.157 -4.439 1.00 0.00 H new ATOM 0 HE ARG A 9 14.679 3.086 -3.157 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.220 0.675 -5.244 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.461 1.794 -5.816 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.243 4.527 -3.969 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.473 3.954 -5.100 1.00 0.00 H new ATOM 131 N ARG A 10 10.741 -2.489 -1.994 1.00 0.00 N ATOM 132 CA ARG A 10 10.124 -3.802 -1.889 1.00 0.00 C ATOM 133 C ARG A 10 9.084 -3.854 -0.773 1.00 0.00 C ATOM 134 O ARG A 10 8.550 -4.916 -0.457 1.00 0.00 O ATOM 135 CB ARG A 10 11.186 -4.888 -1.703 1.00 0.00 C ATOM 136 CG ARG A 10 12.053 -4.728 -0.461 1.00 0.00 C ATOM 137 CD ARG A 10 13.072 -5.845 -0.379 1.00 0.00 C ATOM 138 NE ARG A 10 13.965 -5.853 -1.547 1.00 0.00 N ATOM 139 CZ ARG A 10 14.401 -6.949 -2.184 1.00 0.00 C ATOM 140 NH1 ARG A 10 14.001 -8.159 -1.797 1.00 0.00 N ATOM 141 NH2 ARG A 10 15.223 -6.824 -3.221 1.00 0.00 N ATOM 0 H ARG A 10 10.919 -2.031 -1.100 1.00 0.00 H new ATOM 0 HA ARG A 10 9.600 -3.993 -2.826 1.00 0.00 H new ATOM 0 HB2 ARG A 10 10.690 -5.858 -1.660 1.00 0.00 H new ATOM 0 HB3 ARG A 10 11.832 -4.899 -2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 10 12.562 -3.764 -0.487 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.426 -4.733 0.431 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.663 -5.733 0.530 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.557 -6.803 -0.308 1.00 0.00 H new ATOM 0 HE ARG A 10 14.279 -4.950 -1.902 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.358 -8.257 -1.011 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.337 -8.988 -2.287 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.519 -5.898 -3.528 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.558 -7.655 -3.709 1.00 0.00 H new ATOM 155 N ILE A 11 8.818 -2.722 -0.169 1.00 0.00 N ATOM 156 CA ILE A 11 7.798 -2.631 0.853 1.00 0.00 C ATOM 157 C ILE A 11 6.711 -1.720 0.310 1.00 0.00 C ATOM 158 O ILE A 11 7.002 -0.808 -0.496 1.00 0.00 O ATOM 159 CB ILE A 11 8.353 -2.044 2.191 1.00 0.00 C ATOM 160 CG1 ILE A 11 9.628 -2.790 2.627 1.00 0.00 C ATOM 161 CG2 ILE A 11 7.293 -2.122 3.301 1.00 0.00 C ATOM 162 CD1 ILE A 11 10.283 -2.233 3.877 1.00 0.00 C ATOM 0 H ILE A 11 9.296 -1.843 -0.368 1.00 0.00 H new ATOM 0 HA ILE A 11 7.422 -3.628 1.080 1.00 0.00 H new ATOM 0 HB ILE A 11 8.603 -0.997 2.019 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.381 -3.838 2.797 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.349 -2.761 1.810 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.701 -1.708 4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.413 -1.551 3.005 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.012 -3.163 3.463 1.00 0.00 H new ATOM 0 HD11 ILE A 11 11.173 -2.817 4.112 1.00 0.00 H new ATOM 0 HD12 ILE A 11 10.565 -1.194 3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 11 9.582 -2.288 4.710 1.00 0.00 H new ATOM 174 N CYS A 12 5.501 -1.947 0.707 1.00 0.00 N ATOM 175 CA CYS A 12 4.394 -1.179 0.218 1.00 0.00 C ATOM 176 C CYS A 12 3.518 -0.707 1.362 1.00 0.00 C ATOM 177 O CYS A 12 3.645 -1.172 2.499 1.00 0.00 O ATOM 178 CB CYS A 12 3.548 -2.002 -0.761 1.00 0.00 C ATOM 179 SG CYS A 12 4.463 -2.726 -2.173 1.00 0.00 S ATOM 0 H CYS A 12 5.248 -2.670 1.380 1.00 0.00 H new ATOM 0 HA CYS A 12 4.801 -0.312 -0.303 1.00 0.00 H new ATOM 0 HB2 CYS A 12 3.067 -2.810 -0.209 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.754 -1.366 -1.152 1.00 0.00 H new ATOM 184 N ARG A 13 2.667 0.233 1.057 1.00 0.00 N ATOM 185 CA ARG A 13 1.678 0.746 1.967 1.00 0.00 C ATOM 186 C ARG A 13 0.337 0.581 1.301 1.00 0.00 C ATOM 187 O ARG A 13 0.071 1.202 0.260 1.00 0.00 O ATOM 188 CB ARG A 13 1.902 2.232 2.283 1.00 0.00 C ATOM 189 CG ARG A 13 3.186 2.557 3.030 1.00 0.00 C ATOM 190 CD ARG A 13 3.290 4.055 3.290 1.00 0.00 C ATOM 191 NE ARG A 13 2.149 4.550 4.082 1.00 0.00 N ATOM 192 CZ ARG A 13 1.628 5.784 4.023 1.00 0.00 C ATOM 193 NH1 ARG A 13 2.158 6.700 3.232 1.00 0.00 N ATOM 194 NH2 ARG A 13 0.566 6.087 4.771 1.00 0.00 N ATOM 0 H ARG A 13 2.641 0.678 0.139 1.00 0.00 H new ATOM 0 HA ARG A 13 1.740 0.202 2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.896 2.789 1.346 1.00 0.00 H new ATOM 0 HB3 ARG A 13 1.059 2.591 2.873 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.210 2.016 3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.046 2.223 2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.220 4.269 3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.332 4.588 2.340 1.00 0.00 H new ATOM 0 HE ARG A 13 1.717 3.895 4.733 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.971 6.471 2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.755 7.636 3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.155 5.382 5.383 1.00 0.00 H new ATOM 0 HH22 ARG A 13 0.165 7.024 4.731 1.00 0.00 H new ATOM 208 N CYS A 14 -0.462 -0.282 1.830 1.00 0.00 N ATOM 209 CA CYS A 14 -1.745 -0.544 1.289 1.00 0.00 C ATOM 210 C CYS A 14 -2.806 0.270 1.987 1.00 0.00 C ATOM 211 O CYS A 14 -3.094 0.072 3.178 1.00 0.00 O ATOM 212 CB CYS A 14 -2.035 -2.031 1.348 1.00 0.00 C ATOM 213 SG CYS A 14 -0.917 -3.030 0.298 1.00 0.00 S ATOM 0 H CYS A 14 -0.237 -0.830 2.660 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.758 -0.240 0.242 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -1.951 -2.370 2.381 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.065 -2.206 1.038 1.00 0.00 H new ATOM 218 N ILE A 15 -3.331 1.226 1.267 1.00 0.00 N ATOM 219 CA ILE A 15 -4.385 2.074 1.752 1.00 0.00 C ATOM 220 C ILE A 15 -5.704 1.462 1.325 1.00 0.00 C ATOM 221 O ILE A 15 -5.982 1.332 0.128 1.00 0.00 O ATOM 222 CB ILE A 15 -4.268 3.513 1.174 1.00 0.00 C ATOM 223 CG1 ILE A 15 -2.883 4.128 1.494 1.00 0.00 C ATOM 224 CG2 ILE A 15 -5.399 4.407 1.694 1.00 0.00 C ATOM 225 CD1 ILE A 15 -2.565 4.250 2.978 1.00 0.00 C ATOM 0 H ILE A 15 -3.034 1.440 0.315 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.317 2.149 2.837 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.364 3.448 0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.113 3.519 1.021 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -2.828 5.119 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.294 5.408 1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.360 3.988 1.396 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.348 4.462 2.781 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.576 4.691 3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.309 4.886 3.458 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.582 3.261 3.436 1.00 0.00 H new ATOM 237 N CYS A 16 -6.474 1.048 2.266 1.00 0.00 N ATOM 238 CA CYS A 16 -7.724 0.402 1.992 1.00 0.00 C ATOM 239 C CYS A 16 -8.865 1.326 2.310 1.00 0.00 C ATOM 240 O CYS A 16 -8.758 2.154 3.217 1.00 0.00 O ATOM 241 CB CYS A 16 -7.829 -0.870 2.808 1.00 0.00 C ATOM 242 SG CYS A 16 -6.441 -2.027 2.551 1.00 0.00 S ATOM 0 H CYS A 16 -6.260 1.145 3.259 1.00 0.00 H new ATOM 0 HA CYS A 16 -7.773 0.148 0.933 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.881 -0.609 3.865 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.762 -1.375 2.558 1.00 0.00 H new ATOM 247 N GLY A 17 -9.925 1.219 1.559 1.00 0.00 N ATOM 248 CA GLY A 17 -11.078 2.029 1.811 1.00 0.00 C ATOM 249 C GLY A 17 -12.317 1.186 1.930 1.00 0.00 C ATOM 250 O GLY A 17 -12.754 0.842 3.037 1.00 0.00 O ATOM 0 H GLY A 17 -10.012 0.579 0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.932 2.598 2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.202 2.751 1.004 1.00 0.00 H new ATOM 254 N ARG A 18 -12.880 0.836 0.801 1.00 0.00 N ATOM 255 CA ARG A 18 -14.089 0.040 0.753 1.00 0.00 C ATOM 256 C ARG A 18 -13.855 -1.209 -0.063 1.00 0.00 C ATOM 257 O ARG A 18 -14.067 -1.210 -1.276 1.00 0.00 O ATOM 258 CB ARG A 18 -15.293 0.813 0.152 1.00 0.00 C ATOM 259 CG ARG A 18 -15.890 1.965 0.981 1.00 0.00 C ATOM 260 CD ARG A 18 -14.929 3.130 1.204 1.00 0.00 C ATOM 261 NE ARG A 18 -14.342 3.622 -0.053 1.00 0.00 N ATOM 262 CZ ARG A 18 -13.340 4.502 -0.134 1.00 0.00 C ATOM 263 NH1 ARG A 18 -12.899 5.123 0.953 1.00 0.00 N ATOM 264 NH2 ARG A 18 -12.803 4.782 -1.312 1.00 0.00 N ATOM 0 H ARG A 18 -12.515 1.094 -0.116 1.00 0.00 H new ATOM 0 HA ARG A 18 -14.335 -0.214 1.784 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.984 1.218 -0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -16.088 0.094 -0.045 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -16.784 2.335 0.479 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.206 1.577 1.949 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.459 3.945 1.698 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.131 2.815 1.876 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.729 3.265 -0.927 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.326 4.930 1.859 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.134 5.793 0.882 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.155 4.326 -2.154 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.038 5.453 -1.377 1.00 0.00 H new TER 278 ARG A 18