USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 184 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot -68:sc= 0.105 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 158:sc= -0.0366 (180deg=-0.25) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.932 -0.125 -0.169 1.00 63.33 N ATOM 2 CA GLY A 1 1.722 -0.051 -1.385 1.00 30.44 C ATOM 3 C GLY A 1 1.984 1.377 -1.820 1.00 21.23 C ATOM 4 O GLY A 1 1.665 1.758 -2.946 1.00 73.23 O ATOM 0 H1 GLY A 1 0.780 -1.122 0.086 1.00 63.33 H new ATOM 0 H2 GLY A 1 1.436 0.357 0.602 1.00 63.33 H new ATOM 0 H3 GLY A 1 0.013 0.336 -0.324 1.00 63.33 H new ATOM 0 HA2 GLY A 1 2.673 -0.560 -1.228 1.00 30.44 H new ATOM 0 HA3 GLY A 1 1.204 -0.582 -2.184 1.00 30.44 H new ATOM 8 N ILE A 2 2.565 2.169 -0.925 1.00 62.01 N ATOM 9 CA ILE A 2 2.869 3.563 -1.223 1.00 51.11 C ATOM 10 C ILE A 2 3.622 3.692 -2.543 1.00 73.30 C ATOM 11 O ILE A 2 3.049 4.079 -3.562 1.00 33.23 O ATOM 12 CB ILE A 2 3.706 4.209 -0.103 1.00 34.21 C ATOM 13 CG1 ILE A 2 4.603 3.162 0.561 1.00 41.40 C ATOM 14 CG2 ILE A 2 2.797 4.865 0.926 1.00 31.40 C ATOM 15 CD1 ILE A 2 6.017 3.643 0.799 1.00 4.13 C ATOM 0 H ILE A 2 2.834 1.869 0.012 1.00 62.01 H new ATOM 0 HA ILE A 2 1.915 4.084 -1.299 1.00 51.11 H new ATOM 0 HB ILE A 2 4.341 4.979 -0.541 1.00 34.21 H new ATOM 0 HG12 ILE A 2 4.162 2.869 1.514 1.00 41.40 H new ATOM 0 HG13 ILE A 2 4.632 2.270 -0.065 1.00 41.40 H new ATOM 0 HG21 ILE A 2 3.403 5.317 1.711 1.00 31.40 H new ATOM 0 HG22 ILE A 2 2.196 5.635 0.442 1.00 31.40 H new ATOM 0 HG23 ILE A 2 2.140 4.113 1.363 1.00 31.40 H new ATOM 0 HD11 ILE A 2 6.596 2.850 1.272 1.00 4.13 H new ATOM 0 HD12 ILE A 2 6.476 3.909 -0.153 1.00 4.13 H new ATOM 0 HD13 ILE A 2 5.999 4.517 1.450 1.00 4.13 H new ATOM 27 N PHE A 3 4.909 3.363 -2.518 1.00 70.22 N ATOM 28 CA PHE A 3 5.741 3.441 -3.713 1.00 61.52 C ATOM 29 C PHE A 3 5.195 2.538 -4.816 1.00 1.02 C ATOM 30 O PHE A 3 5.571 2.666 -5.981 1.00 10.31 O ATOM 31 CB PHE A 3 7.182 3.047 -3.383 1.00 64.23 C ATOM 32 CG PHE A 3 7.289 1.791 -2.566 1.00 53.02 C ATOM 33 CD1 PHE A 3 6.886 0.573 -3.088 1.00 73.45 C ATOM 34 CD2 PHE A 3 7.791 1.829 -1.275 1.00 42.15 C ATOM 35 CE1 PHE A 3 6.983 -0.585 -2.339 1.00 55.04 C ATOM 36 CE2 PHE A 3 7.891 0.675 -0.522 1.00 33.12 C ATOM 37 CZ PHE A 3 7.485 -0.533 -1.054 1.00 32.41 C ATOM 0 H PHE A 3 5.399 3.040 -1.684 1.00 70.22 H new ATOM 0 HA PHE A 3 5.725 4.471 -4.070 1.00 61.52 H new ATOM 0 HB2 PHE A 3 7.736 2.914 -4.312 1.00 64.23 H new ATOM 0 HB3 PHE A 3 7.659 3.864 -2.842 1.00 64.23 H new ATOM 0 HD1 PHE A 3 6.491 0.527 -4.092 1.00 73.45 H new ATOM 0 HD2 PHE A 3 8.108 2.771 -0.853 1.00 42.15 H new ATOM 0 HE1 PHE A 3 6.667 -1.529 -2.758 1.00 55.04 H new ATOM 0 HE2 PHE A 3 8.286 0.718 0.482 1.00 33.12 H new ATOM 0 HZ PHE A 3 7.560 -1.436 -0.466 1.00 32.41 H new ATOM 47 N SER A 4 4.306 1.624 -4.439 1.00 3.54 N ATOM 48 CA SER A 4 3.711 0.697 -5.394 1.00 1.05 C ATOM 49 C SER A 4 2.389 1.240 -5.926 1.00 55.02 C ATOM 50 O SER A 4 1.715 0.592 -6.727 1.00 33.41 O ATOM 51 CB SER A 4 3.489 -0.668 -4.740 1.00 33.21 C ATOM 52 OG SER A 4 3.772 -0.621 -3.352 1.00 74.41 O ATOM 0 H SER A 4 3.982 1.506 -3.479 1.00 3.54 H new ATOM 0 HA SER A 4 4.400 0.583 -6.231 1.00 1.05 H new ATOM 0 HB2 SER A 4 2.457 -0.985 -4.893 1.00 33.21 H new ATOM 0 HB3 SER A 4 4.125 -1.412 -5.219 1.00 33.21 H new ATOM 0 HG SER A 4 4.734 -0.489 -3.219 1.00 74.41 H new ATOM 58 N LYS A 5 2.023 2.435 -5.475 1.00 54.25 N ATOM 59 CA LYS A 5 0.782 3.069 -5.906 1.00 31.32 C ATOM 60 C LYS A 5 0.645 3.022 -7.424 1.00 62.33 C ATOM 61 O LYS A 5 -0.423 2.708 -7.952 1.00 65.23 O ATOM 62 CB LYS A 5 0.732 4.520 -5.423 1.00 42.13 C ATOM 63 CG LYS A 5 1.943 5.340 -5.834 1.00 62.53 C ATOM 64 CD LYS A 5 1.715 6.046 -7.160 1.00 14.31 C ATOM 65 CE LYS A 5 1.964 7.542 -7.044 1.00 55.31 C ATOM 66 NZ LYS A 5 1.491 8.278 -8.249 1.00 51.14 N ATOM 0 H LYS A 5 2.568 2.984 -4.811 1.00 54.25 H new ATOM 0 HA LYS A 5 -0.050 2.518 -5.467 1.00 31.32 H new ATOM 0 HB2 LYS A 5 -0.168 4.994 -5.816 1.00 42.13 H new ATOM 0 HB3 LYS A 5 0.649 4.530 -4.336 1.00 42.13 H new ATOM 0 HG2 LYS A 5 2.164 6.077 -5.062 1.00 62.53 H new ATOM 0 HG3 LYS A 5 2.814 4.690 -5.912 1.00 62.53 H new ATOM 0 HD2 LYS A 5 2.376 5.624 -7.917 1.00 14.31 H new ATOM 0 HD3 LYS A 5 0.693 5.871 -7.496 1.00 14.31 H new ATOM 0 HE2 LYS A 5 1.455 7.927 -6.160 1.00 55.31 H new ATOM 0 HE3 LYS A 5 3.030 7.723 -6.903 1.00 55.31 H new ATOM 0 HZ1 LYS A 5 1.679 9.294 -8.131 1.00 51.14 H new ATOM 0 HZ2 LYS A 5 1.994 7.928 -9.089 1.00 51.14 H new ATOM 0 HZ3 LYS A 5 0.469 8.126 -8.370 1.00 51.14 H new ATOM 80 N LEU A 6 1.732 3.334 -8.121 1.00 50.04 N ATOM 81 CA LEU A 6 1.734 3.326 -9.580 1.00 72.12 C ATOM 82 C LEU A 6 1.745 1.898 -10.117 1.00 12.13 C ATOM 83 O LEU A 6 1.276 1.637 -11.224 1.00 45.14 O ATOM 84 CB LEU A 6 2.946 4.092 -10.113 1.00 12.34 C ATOM 85 CG LEU A 6 4.312 3.610 -9.624 1.00 3.51 C ATOM 86 CD1 LEU A 6 4.755 2.382 -10.403 1.00 42.04 C ATOM 87 CD2 LEU A 6 5.344 4.722 -9.745 1.00 44.12 C ATOM 0 H LEU A 6 2.623 3.596 -7.700 1.00 50.04 H new ATOM 0 HA LEU A 6 0.823 3.817 -9.922 1.00 72.12 H new ATOM 0 HB2 LEU A 6 2.933 4.041 -11.202 1.00 12.34 H new ATOM 0 HB3 LEU A 6 2.835 5.142 -9.842 1.00 12.34 H new ATOM 0 HG LEU A 6 4.224 3.335 -8.573 1.00 3.51 H new ATOM 0 HD11 LEU A 6 5.729 2.053 -10.041 1.00 42.04 H new ATOM 0 HD12 LEU A 6 4.028 1.582 -10.265 1.00 42.04 H new ATOM 0 HD13 LEU A 6 4.826 2.629 -11.462 1.00 42.04 H new ATOM 0 HD21 LEU A 6 6.310 4.361 -9.393 1.00 44.12 H new ATOM 0 HD22 LEU A 6 5.429 5.028 -10.788 1.00 44.12 H new ATOM 0 HD23 LEU A 6 5.033 5.575 -9.141 1.00 44.12 H new ATOM 99 N ALA A 7 2.281 0.977 -9.323 1.00 12.15 N ATOM 100 CA ALA A 7 2.349 -0.425 -9.716 1.00 12.23 C ATOM 101 C ALA A 7 0.980 -1.090 -9.617 1.00 10.40 C ATOM 102 O ALA A 7 0.599 -1.879 -10.480 1.00 31.52 O ATOM 103 CB ALA A 7 3.361 -1.166 -8.855 1.00 10.12 C ATOM 0 H ALA A 7 2.675 1.177 -8.403 1.00 12.15 H new ATOM 0 HA ALA A 7 2.671 -0.470 -10.756 1.00 12.23 H new ATOM 0 HB1 ALA A 7 3.401 -2.212 -9.160 1.00 10.12 H new ATOM 0 HB2 ALA A 7 4.345 -0.714 -8.979 1.00 10.12 H new ATOM 0 HB3 ALA A 7 3.063 -1.104 -7.808 1.00 10.12 H new ATOM 109 N GLY A 8 0.244 -0.765 -8.558 1.00 42.21 N ATOM 110 CA GLY A 8 -1.074 -1.340 -8.366 1.00 31.40 C ATOM 111 C GLY A 8 -2.141 -0.628 -9.173 1.00 51.11 C ATOM 112 O GLY A 8 -3.215 -1.177 -9.419 1.00 71.40 O ATOM 0 H GLY A 8 0.538 -0.114 -7.830 1.00 42.21 H new ATOM 0 HA2 GLY A 8 -1.052 -2.393 -8.648 1.00 31.40 H new ATOM 0 HA3 GLY A 8 -1.335 -1.298 -7.308 1.00 31.40 H new ATOM 116 N LYS A 9 -1.847 0.600 -9.586 1.00 10.43 N ATOM 117 CA LYS A 9 -2.789 1.391 -10.370 1.00 22.34 C ATOM 118 C LYS A 9 -2.755 0.979 -11.838 1.00 22.22 C ATOM 119 O LYS A 9 -3.794 0.880 -12.490 1.00 53.31 O ATOM 120 CB LYS A 9 -2.467 2.881 -10.239 1.00 54.35 C ATOM 121 CG LYS A 9 -3.055 3.730 -11.354 1.00 31.31 C ATOM 122 CD LYS A 9 -4.541 3.466 -11.531 1.00 11.53 C ATOM 123 CE LYS A 9 -5.381 4.458 -10.739 1.00 63.34 C ATOM 124 NZ LYS A 9 -5.314 5.828 -11.319 1.00 23.14 N ATOM 0 H LYS A 9 -0.963 1.070 -9.391 1.00 10.43 H new ATOM 0 HA LYS A 9 -3.791 1.207 -9.983 1.00 22.34 H new ATOM 0 HB2 LYS A 9 -2.842 3.243 -9.282 1.00 54.35 H new ATOM 0 HB3 LYS A 9 -1.385 3.011 -10.227 1.00 54.35 H new ATOM 0 HG2 LYS A 9 -2.896 4.785 -11.132 1.00 31.31 H new ATOM 0 HG3 LYS A 9 -2.533 3.519 -12.287 1.00 31.31 H new ATOM 0 HD2 LYS A 9 -4.800 3.530 -12.588 1.00 11.53 H new ATOM 0 HD3 LYS A 9 -4.773 2.451 -11.207 1.00 11.53 H new ATOM 0 HE2 LYS A 9 -6.418 4.122 -10.720 1.00 63.34 H new ATOM 0 HE3 LYS A 9 -5.035 4.484 -9.706 1.00 63.34 H new ATOM 0 HZ1 LYS A 9 -6.145 6.375 -11.015 1.00 23.14 H new ATOM 0 HZ2 LYS A 9 -4.449 6.302 -10.990 1.00 23.14 H new ATOM 0 HZ3 LYS A 9 -5.301 5.765 -12.357 1.00 23.14 H new ATOM 138 N LYS A 10 -1.554 0.738 -12.352 1.00 63.33 N ATOM 139 CA LYS A 10 -1.383 0.333 -13.743 1.00 15.42 C ATOM 140 C LYS A 10 -2.076 -0.999 -14.011 1.00 12.13 C ATOM 141 O LYS A 10 -2.862 -1.122 -14.951 1.00 22.41 O ATOM 142 CB LYS A 10 0.104 0.225 -14.085 1.00 61.15 C ATOM 143 CG LYS A 10 0.383 -0.596 -15.333 1.00 14.22 C ATOM 144 CD LYS A 10 -0.412 -0.087 -16.524 1.00 20.20 C ATOM 145 CE LYS A 10 0.487 0.175 -17.723 1.00 11.04 C ATOM 146 NZ LYS A 10 0.830 -1.082 -18.444 1.00 53.32 N ATOM 0 H LYS A 10 -0.684 0.816 -11.826 1.00 63.33 H new ATOM 0 HA LYS A 10 -1.840 1.094 -14.376 1.00 15.42 H new ATOM 0 HB2 LYS A 10 0.511 1.227 -14.221 1.00 61.15 H new ATOM 0 HB3 LYS A 10 0.631 -0.221 -13.241 1.00 61.15 H new ATOM 0 HG2 LYS A 10 1.448 -0.560 -15.563 1.00 14.22 H new ATOM 0 HG3 LYS A 10 0.132 -1.640 -15.146 1.00 14.22 H new ATOM 0 HD2 LYS A 10 -1.175 -0.818 -16.793 1.00 20.20 H new ATOM 0 HD3 LYS A 10 -0.932 0.831 -16.250 1.00 20.20 H new ATOM 0 HE2 LYS A 10 -0.011 0.862 -18.407 1.00 11.04 H new ATOM 0 HE3 LYS A 10 1.402 0.664 -17.391 1.00 11.04 H new ATOM 0 HZ1 LYS A 10 1.444 -0.861 -19.254 1.00 53.32 H new ATOM 0 HZ2 LYS A 10 1.328 -1.728 -17.798 1.00 53.32 H new ATOM 0 HZ3 LYS A 10 -0.042 -1.536 -18.784 1.00 53.32 H new ATOM 160 N ILE A 11 -1.781 -1.992 -13.179 1.00 11.24 N ATOM 161 CA ILE A 11 -2.378 -3.314 -13.325 1.00 40.51 C ATOM 162 C ILE A 11 -3.901 -3.231 -13.332 1.00 64.34 C ATOM 163 O ILE A 11 -4.574 -4.039 -13.973 1.00 13.04 O ATOM 164 CB ILE A 11 -1.932 -4.261 -12.196 1.00 23.01 C ATOM 165 CG1 ILE A 11 -2.466 -3.771 -10.848 1.00 43.04 C ATOM 166 CG2 ILE A 11 -0.414 -4.368 -12.163 1.00 75.32 C ATOM 167 CD1 ILE A 11 -3.674 -4.540 -10.362 1.00 10.24 C ATOM 0 H ILE A 11 -1.132 -1.906 -12.397 1.00 11.24 H new ATOM 0 HA ILE A 11 -2.033 -3.712 -14.279 1.00 40.51 H new ATOM 0 HB ILE A 11 -2.343 -5.252 -12.390 1.00 23.01 H new ATOM 0 HG12 ILE A 11 -1.674 -3.846 -10.103 1.00 43.04 H new ATOM 0 HG13 ILE A 11 -2.726 -2.716 -10.931 1.00 43.04 H new ATOM 0 HG21 ILE A 11 -0.114 -5.041 -11.360 1.00 75.32 H new ATOM 0 HG22 ILE A 11 -0.056 -4.758 -13.116 1.00 75.32 H new ATOM 0 HG23 ILE A 11 0.017 -3.382 -11.990 1.00 75.32 H new ATOM 0 HD11 ILE A 11 -3.998 -4.139 -9.402 1.00 10.24 H new ATOM 0 HD12 ILE A 11 -4.482 -4.444 -11.087 1.00 10.24 H new ATOM 0 HD13 ILE A 11 -3.413 -5.592 -10.246 1.00 10.24 H new ATOM 179 N LYS A 12 -4.438 -2.249 -12.618 1.00 0.44 N ATOM 180 CA LYS A 12 -5.882 -2.057 -12.543 1.00 45.01 C ATOM 181 C LYS A 12 -6.358 -1.085 -13.618 1.00 64.22 C ATOM 182 O LYS A 12 -7.554 -0.977 -13.884 1.00 43.02 O ATOM 183 CB LYS A 12 -6.277 -1.537 -11.159 1.00 41.22 C ATOM 184 CG LYS A 12 -7.753 -1.706 -10.845 1.00 13.40 C ATOM 185 CD LYS A 12 -8.547 -0.464 -11.213 1.00 54.44 C ATOM 186 CE LYS A 12 -8.987 0.304 -9.976 1.00 50.23 C ATOM 187 NZ LYS A 12 -10.301 0.975 -10.178 1.00 0.41 N ATOM 0 H LYS A 12 -3.895 -1.572 -12.082 1.00 0.44 H new ATOM 0 HA LYS A 12 -6.361 -3.021 -12.712 1.00 45.01 H new ATOM 0 HB2 LYS A 12 -5.691 -2.059 -10.403 1.00 41.22 H new ATOM 0 HB3 LYS A 12 -6.018 -0.481 -11.089 1.00 41.22 H new ATOM 0 HG2 LYS A 12 -8.146 -2.565 -11.390 1.00 13.40 H new ATOM 0 HG3 LYS A 12 -7.878 -1.918 -9.783 1.00 13.40 H new ATOM 0 HD2 LYS A 12 -7.940 0.182 -11.847 1.00 54.44 H new ATOM 0 HD3 LYS A 12 -9.423 -0.750 -11.795 1.00 54.44 H new ATOM 0 HE2 LYS A 12 -9.054 -0.379 -9.129 1.00 50.23 H new ATOM 0 HE3 LYS A 12 -8.233 1.050 -9.724 1.00 50.23 H new ATOM 0 HZ1 LYS A 12 -10.566 1.488 -9.313 1.00 0.41 H new ATOM 0 HZ2 LYS A 12 -10.230 1.646 -10.970 1.00 0.41 H new ATOM 0 HZ3 LYS A 12 -11.026 0.261 -10.393 1.00 0.41 H new ATOM 201 N ASN A 13 -5.413 -0.382 -14.234 1.00 1.43 N ATOM 202 CA ASN A 13 -5.736 0.580 -15.281 1.00 15.51 C ATOM 203 C ASN A 13 -6.620 -0.056 -16.350 1.00 0.52 C ATOM 204 O ASN A 13 -7.368 0.634 -17.044 1.00 0.40 O ATOM 205 CB ASN A 13 -4.455 1.122 -15.918 1.00 54.23 C ATOM 206 CG ASN A 13 -4.717 2.312 -16.822 1.00 34.15 C ATOM 207 OD1 ASN A 13 -4.932 3.428 -16.349 1.00 51.45 O ATOM 208 ND2 ASN A 13 -4.701 2.077 -18.128 1.00 50.15 N ATOM 0 H ASN A 13 -4.418 -0.461 -14.026 1.00 1.43 H new ATOM 0 HA ASN A 13 -6.284 1.405 -14.825 1.00 15.51 H new ATOM 0 HB2 ASN A 13 -3.757 1.412 -15.133 1.00 54.23 H new ATOM 0 HB3 ASN A 13 -3.976 0.330 -16.494 1.00 54.23 H new ATOM 0 HD21 ASN A 13 -4.871 2.838 -18.785 1.00 50.15 H new ATOM 0 HD22 ASN A 13 -4.518 1.135 -18.475 1.00 50.15 H new ATOM 215 N LEU A 14 -6.529 -1.375 -16.477 1.00 1.35 N ATOM 216 CA LEU A 14 -7.320 -2.105 -17.460 1.00 74.34 C ATOM 217 C LEU A 14 -8.811 -1.969 -17.169 1.00 75.25 C ATOM 218 O LEU A 14 -9.621 -1.803 -18.083 1.00 44.12 O ATOM 219 CB LEU A 14 -6.923 -3.583 -17.468 1.00 54.41 C ATOM 220 CG LEU A 14 -7.644 -4.466 -18.488 1.00 4.25 C ATOM 221 CD1 LEU A 14 -7.691 -3.783 -19.846 1.00 32.52 C ATOM 222 CD2 LEU A 14 -6.962 -5.822 -18.594 1.00 31.33 C ATOM 0 H LEU A 14 -5.915 -1.961 -15.911 1.00 1.35 H new ATOM 0 HA LEU A 14 -7.120 -1.676 -18.442 1.00 74.34 H new ATOM 0 HB2 LEU A 14 -5.851 -3.650 -17.653 1.00 54.41 H new ATOM 0 HB3 LEU A 14 -7.101 -3.992 -16.473 1.00 54.41 H new ATOM 0 HG LEU A 14 -8.668 -4.622 -18.147 1.00 4.25 H new ATOM 0 HD11 LEU A 14 -8.207 -4.426 -20.559 1.00 32.52 H new ATOM 0 HD12 LEU A 14 -8.224 -2.836 -19.759 1.00 32.52 H new ATOM 0 HD13 LEU A 14 -6.675 -3.597 -20.195 1.00 32.52 H new ATOM 0 HD21 LEU A 14 -7.488 -6.438 -19.324 1.00 31.33 H new ATOM 0 HD22 LEU A 14 -5.928 -5.686 -18.912 1.00 31.33 H new ATOM 0 HD23 LEU A 14 -6.981 -6.316 -17.622 1.00 31.33 H new ATOM 234 N LEU A 15 -9.168 -2.039 -15.892 1.00 13.32 N ATOM 235 CA LEU A 15 -10.563 -1.921 -15.479 1.00 44.13 C ATOM 236 C LEU A 15 -11.136 -0.565 -15.878 1.00 4.42 C ATOM 237 O LEU A 15 -12.218 -0.484 -16.459 1.00 41.15 O ATOM 238 CB LEU A 15 -10.686 -2.115 -13.967 1.00 3.21 C ATOM 239 CG LEU A 15 -12.089 -2.419 -13.441 1.00 61.13 C ATOM 240 CD1 LEU A 15 -12.654 -3.660 -14.115 1.00 51.34 C ATOM 241 CD2 LEU A 15 -12.066 -2.595 -11.930 1.00 2.11 C ATOM 0 H LEU A 15 -8.511 -2.177 -15.124 1.00 13.32 H new ATOM 0 HA LEU A 15 -11.134 -2.699 -15.986 1.00 44.13 H new ATOM 0 HB2 LEU A 15 -10.024 -2.929 -13.670 1.00 3.21 H new ATOM 0 HB3 LEU A 15 -10.323 -1.213 -13.474 1.00 3.21 H new ATOM 0 HG LEU A 15 -12.736 -1.574 -13.678 1.00 61.13 H new ATOM 0 HD11 LEU A 15 -13.653 -3.861 -13.728 1.00 51.34 H new ATOM 0 HD12 LEU A 15 -12.708 -3.497 -15.191 1.00 51.34 H new ATOM 0 HD13 LEU A 15 -12.007 -4.513 -13.909 1.00 51.34 H new ATOM 0 HD21 LEU A 15 -13.073 -2.811 -11.573 1.00 2.11 H new ATOM 0 HD22 LEU A 15 -11.404 -3.421 -11.670 1.00 2.11 H new ATOM 0 HD23 LEU A 15 -11.704 -1.679 -11.463 1.00 2.11 H new ATOM 253 N ILE A 16 -10.402 0.497 -15.563 1.00 1.51 N ATOM 254 CA ILE A 16 -10.836 1.850 -15.891 1.00 62.33 C ATOM 255 C ILE A 16 -10.875 2.063 -17.401 1.00 11.13 C ATOM 256 O ILE A 16 -11.629 2.898 -17.901 1.00 34.44 O ATOM 257 CB ILE A 16 -9.912 2.907 -15.259 1.00 23.24 C ATOM 258 CG1 ILE A 16 -9.749 2.642 -13.760 1.00 42.34 C ATOM 259 CG2 ILE A 16 -10.463 4.304 -15.498 1.00 53.24 C ATOM 260 CD1 ILE A 16 -8.333 2.832 -13.264 1.00 25.51 C ATOM 0 H ILE A 16 -9.504 0.447 -15.081 1.00 1.51 H new ATOM 0 HA ILE A 16 -11.840 1.967 -15.483 1.00 62.33 H new ATOM 0 HB ILE A 16 -8.931 2.839 -15.730 1.00 23.24 H new ATOM 0 HG12 ILE A 16 -10.412 3.308 -13.207 1.00 42.34 H new ATOM 0 HG13 ILE A 16 -10.068 1.623 -13.543 1.00 42.34 H new ATOM 0 HG21 ILE A 16 -9.798 5.040 -15.045 1.00 53.24 H new ATOM 0 HG22 ILE A 16 -10.533 4.489 -16.570 1.00 53.24 H new ATOM 0 HG23 ILE A 16 -11.454 4.386 -15.051 1.00 53.24 H new ATOM 0 HD11 ILE A 16 -8.292 2.628 -12.194 1.00 25.51 H new ATOM 0 HD12 ILE A 16 -7.668 2.147 -13.790 1.00 25.51 H new ATOM 0 HD13 ILE A 16 -8.017 3.859 -13.450 1.00 25.51 H new ATOM 272 N SER A 17 -10.058 1.302 -18.122 1.00 34.30 N ATOM 273 CA SER A 17 -9.998 1.408 -19.575 1.00 50.50 C ATOM 274 C SER A 17 -11.128 0.616 -20.225 1.00 64.44 C ATOM 275 O SER A 17 -11.695 1.035 -21.233 1.00 73.11 O ATOM 276 CB SER A 17 -8.647 0.908 -20.089 1.00 23.34 C ATOM 277 OG SER A 17 -7.696 1.957 -20.129 1.00 43.41 O ATOM 0 H SER A 17 -9.428 0.605 -17.724 1.00 34.30 H new ATOM 0 HA SER A 17 -10.114 2.458 -19.843 1.00 50.50 H new ATOM 0 HB2 SER A 17 -8.283 0.108 -19.445 1.00 23.34 H new ATOM 0 HB3 SER A 17 -8.768 0.485 -21.086 1.00 23.34 H new ATOM 0 HG SER A 17 -6.841 1.611 -20.459 1.00 43.41 H new ATOM 283 N GLY A 18 -11.448 -0.534 -19.640 1.00 74.41 N ATOM 284 CA GLY A 18 -12.508 -1.369 -20.175 1.00 53.14 C ATOM 285 C GLY A 18 -13.865 -1.031 -19.589 1.00 44.52 C ATOM 286 O GLY A 18 -14.885 -1.578 -20.009 1.00 21.42 O ATOM 0 H GLY A 18 -10.992 -0.903 -18.805 1.00 74.41 H new ATOM 0 HA2 GLY A 18 -12.545 -1.254 -21.258 1.00 53.14 H new ATOM 0 HA3 GLY A 18 -12.279 -2.415 -19.973 1.00 53.14 H new ATOM 290 N LEU A 19 -13.878 -0.127 -18.616 1.00 4.14 N ATOM 291 CA LEU A 19 -15.119 0.283 -17.969 1.00 13.02 C ATOM 292 C LEU A 19 -15.773 1.435 -18.725 1.00 61.05 C ATOM 293 O LEU A 19 -16.765 1.246 -19.429 1.00 52.35 O ATOM 294 CB LEU A 19 -14.851 0.696 -16.521 1.00 1.23 C ATOM 295 CG LEU A 19 -16.018 1.352 -15.782 1.00 52.34 C ATOM 296 CD1 LEU A 19 -17.190 0.389 -15.673 1.00 23.41 C ATOM 297 CD2 LEU A 19 -15.580 1.822 -14.403 1.00 35.43 C ATOM 0 H LEU A 19 -13.043 0.336 -18.258 1.00 4.14 H new ATOM 0 HA LEU A 19 -15.801 -0.567 -17.978 1.00 13.02 H new ATOM 0 HB2 LEU A 19 -14.545 -0.189 -15.963 1.00 1.23 H new ATOM 0 HB3 LEU A 19 -14.007 1.386 -16.512 1.00 1.23 H new ATOM 0 HG LEU A 19 -16.342 2.222 -16.353 1.00 52.34 H new ATOM 0 HD11 LEU A 19 -18.011 0.873 -15.144 1.00 23.41 H new ATOM 0 HD12 LEU A 19 -17.520 0.103 -16.672 1.00 23.41 H new ATOM 0 HD13 LEU A 19 -16.880 -0.501 -15.125 1.00 23.41 H new ATOM 0 HD21 LEU A 19 -16.423 2.286 -13.892 1.00 35.43 H new ATOM 0 HD22 LEU A 19 -15.229 0.969 -13.822 1.00 35.43 H new ATOM 0 HD23 LEU A 19 -14.774 2.548 -14.505 1.00 35.43 H new ATOM 309 N LYS A 20 -15.209 2.629 -18.577 1.00 62.24 N ATOM 310 CA LYS A 20 -15.733 3.812 -19.249 1.00 13.01 C ATOM 311 C LYS A 20 -15.883 3.566 -20.747 1.00 31.02 C ATOM 312 O LYS A 20 -16.831 4.040 -21.372 1.00 21.02 O ATOM 313 CB LYS A 20 -14.813 5.011 -19.008 1.00 21.43 C ATOM 314 CG LYS A 20 -14.485 5.241 -17.543 1.00 33.24 C ATOM 315 CD LYS A 20 -13.017 5.580 -17.346 1.00 71.30 C ATOM 316 CE LYS A 20 -12.764 7.071 -17.502 1.00 3.31 C ATOM 317 NZ LYS A 20 -11.823 7.585 -16.468 1.00 12.21 N ATOM 0 H LYS A 20 -14.388 2.803 -17.997 1.00 62.24 H new ATOM 0 HA LYS A 20 -16.717 4.028 -18.834 1.00 13.01 H new ATOM 0 HB2 LYS A 20 -13.885 4.863 -19.561 1.00 21.43 H new ATOM 0 HB3 LYS A 20 -15.285 5.907 -19.411 1.00 21.43 H new ATOM 0 HG2 LYS A 20 -15.102 6.051 -17.154 1.00 33.24 H new ATOM 0 HG3 LYS A 20 -14.733 4.348 -16.969 1.00 33.24 H new ATOM 0 HD2 LYS A 20 -12.698 5.257 -16.355 1.00 71.30 H new ATOM 0 HD3 LYS A 20 -12.415 5.030 -18.069 1.00 71.30 H new ATOM 0 HE2 LYS A 20 -12.357 7.269 -18.494 1.00 3.31 H new ATOM 0 HE3 LYS A 20 -13.709 7.609 -17.432 1.00 3.31 H new ATOM 0 HZ1 LYS A 20 -11.676 8.605 -16.608 1.00 12.21 H new ATOM 0 HZ2 LYS A 20 -12.222 7.420 -15.522 1.00 12.21 H new ATOM 0 HZ3 LYS A 20 -10.912 7.090 -16.551 1.00 12.21 H new ATOM 331 N GLY A 21 -14.941 2.820 -21.317 1.00 14.13 N ATOM 332 CA GLY A 21 -14.988 2.523 -22.736 1.00 54.25 C ATOM 333 C GLY A 21 -16.002 1.446 -23.070 1.00 44.33 C ATOM 334 O GLY A 21 -17.020 1.311 -22.392 1.00 41.22 O ATOM 0 H GLY A 21 -14.146 2.416 -20.821 1.00 14.13 H new ATOM 0 HA2 GLY A 21 -15.233 3.431 -23.286 1.00 54.25 H new ATOM 0 HA3 GLY A 21 -14.001 2.204 -23.070 1.00 54.25 H new TER 338 GLY A 21