USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=2 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 Set 1.1: A 13 ASN : amide:sc= -3.63! C(o=-3!,f=-3.8!) USER MOD Set 1.2: A 17 SER OG : rot 112:sc= 0.618 USER MOD Set 2.1: A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= -0.505 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.166 -0.576 -0.018 1.00 3.23 N ATOM 2 CA GLY A 1 1.930 -0.535 -1.251 1.00 70.31 C ATOM 3 C GLY A 1 2.197 0.881 -1.721 1.00 70.35 C ATOM 4 O GLY A 1 1.831 1.250 -2.838 1.00 12.34 O ATOM 0 H1 GLY A 1 1.010 -1.566 0.261 1.00 3.23 H new ATOM 0 H2 GLY A 1 1.691 -0.083 0.732 1.00 3.23 H new ATOM 0 H3 GLY A 1 0.248 -0.108 -0.162 1.00 3.23 H new ATOM 0 HA2 GLY A 1 2.879 -1.051 -1.104 1.00 70.31 H new ATOM 0 HA3 GLY A 1 1.390 -1.077 -2.028 1.00 70.31 H new ATOM 8 N ILE A 2 2.835 1.675 -0.869 1.00 12.32 N ATOM 9 CA ILE A 2 3.149 3.059 -1.204 1.00 24.43 C ATOM 10 C ILE A 2 3.834 3.153 -2.563 1.00 2.11 C ATOM 11 O ILE A 2 3.219 3.547 -3.554 1.00 70.10 O ATOM 12 CB ILE A 2 4.056 3.703 -0.139 1.00 1.42 C ATOM 13 CG1 ILE A 2 4.965 2.648 0.496 1.00 53.35 C ATOM 14 CG2 ILE A 2 3.216 4.395 0.924 1.00 34.33 C ATOM 15 CD1 ILE A 2 6.399 3.103 0.655 1.00 73.44 C ATOM 0 H ILE A 2 3.145 1.384 0.058 1.00 12.32 H new ATOM 0 HA ILE A 2 2.203 3.599 -1.239 1.00 24.43 H new ATOM 0 HB ILE A 2 4.684 4.451 -0.623 1.00 1.42 H new ATOM 0 HG12 ILE A 2 4.567 2.379 1.474 1.00 53.35 H new ATOM 0 HG13 ILE A 2 4.944 1.746 -0.116 1.00 53.35 H new ATOM 0 HG21 ILE A 2 3.871 4.845 1.670 1.00 34.33 H new ATOM 0 HG22 ILE A 2 2.608 5.171 0.459 1.00 34.33 H new ATOM 0 HG23 ILE A 2 2.566 3.665 1.406 1.00 34.33 H new ATOM 0 HD11 ILE A 2 6.985 2.305 1.111 1.00 73.44 H new ATOM 0 HD12 ILE A 2 6.815 3.345 -0.323 1.00 73.44 H new ATOM 0 HD13 ILE A 2 6.432 3.987 1.292 1.00 73.44 H new ATOM 27 N PHE A 3 5.111 2.787 -2.603 1.00 2.43 N ATOM 28 CA PHE A 3 5.880 2.830 -3.841 1.00 23.21 C ATOM 29 C PHE A 3 5.252 1.931 -4.902 1.00 44.33 C ATOM 30 O PHE A 3 5.570 2.036 -6.087 1.00 1.31 O ATOM 31 CB PHE A 3 7.326 2.400 -3.583 1.00 40.10 C ATOM 32 CG PHE A 3 8.186 3.496 -3.022 1.00 43.35 C ATOM 33 CD1 PHE A 3 8.246 4.734 -3.643 1.00 65.31 C ATOM 34 CD2 PHE A 3 8.934 3.290 -1.875 1.00 24.42 C ATOM 35 CE1 PHE A 3 9.038 5.744 -3.130 1.00 30.32 C ATOM 36 CE2 PHE A 3 9.727 4.296 -1.356 1.00 45.15 C ATOM 37 CZ PHE A 3 9.778 5.525 -1.984 1.00 44.14 C ATOM 0 H PHE A 3 5.635 2.457 -1.792 1.00 2.43 H new ATOM 0 HA PHE A 3 5.873 3.856 -4.209 1.00 23.21 H new ATOM 0 HB2 PHE A 3 7.328 1.557 -2.892 1.00 40.10 H new ATOM 0 HB3 PHE A 3 7.764 2.047 -4.517 1.00 40.10 H new ATOM 0 HD1 PHE A 3 7.667 4.911 -4.538 1.00 65.31 H new ATOM 0 HD2 PHE A 3 8.897 2.331 -1.380 1.00 24.42 H new ATOM 0 HE1 PHE A 3 9.078 6.703 -3.624 1.00 30.32 H new ATOM 0 HE2 PHE A 3 10.306 4.121 -0.461 1.00 45.15 H new ATOM 0 HZ PHE A 3 10.395 6.314 -1.580 1.00 44.14 H new ATOM 47 N SER A 4 4.360 1.047 -4.468 1.00 54.41 N ATOM 48 CA SER A 4 3.690 0.127 -5.379 1.00 73.12 C ATOM 49 C SER A 4 2.354 0.699 -5.845 1.00 43.30 C ATOM 50 O SER A 4 1.621 0.061 -6.601 1.00 4.20 O ATOM 51 CB SER A 4 3.468 -1.226 -4.700 1.00 5.12 C ATOM 52 OG SER A 4 3.841 -1.177 -3.333 1.00 74.13 O ATOM 0 H SER A 4 4.084 0.948 -3.491 1.00 54.41 H new ATOM 0 HA SER A 4 4.330 -0.012 -6.250 1.00 73.12 H new ATOM 0 HB2 SER A 4 2.419 -1.511 -4.784 1.00 5.12 H new ATOM 0 HB3 SER A 4 4.049 -1.993 -5.212 1.00 5.12 H new ATOM 0 HG SER A 4 3.688 -2.053 -2.921 1.00 74.13 H new ATOM 58 N LYS A 5 2.044 1.908 -5.388 1.00 62.30 N ATOM 59 CA LYS A 5 0.798 2.569 -5.757 1.00 44.41 C ATOM 60 C LYS A 5 0.579 2.514 -7.266 1.00 21.04 C ATOM 61 O LYS A 5 -0.524 2.227 -7.733 1.00 21.33 O ATOM 62 CB LYS A 5 0.811 4.025 -5.286 1.00 42.40 C ATOM 63 CG LYS A 5 2.016 4.812 -5.773 1.00 70.32 C ATOM 64 CD LYS A 5 1.730 5.510 -7.092 1.00 13.42 C ATOM 65 CE LYS A 5 2.017 7.002 -7.006 1.00 64.54 C ATOM 66 NZ LYS A 5 1.035 7.802 -7.789 1.00 63.44 N ATOM 0 H LYS A 5 2.639 2.450 -4.761 1.00 62.30 H new ATOM 0 HA LYS A 5 -0.022 2.042 -5.269 1.00 44.41 H new ATOM 0 HB2 LYS A 5 -0.098 4.518 -5.631 1.00 42.40 H new ATOM 0 HB3 LYS A 5 0.790 4.046 -4.196 1.00 42.40 H new ATOM 0 HG2 LYS A 5 2.297 5.551 -5.023 1.00 70.32 H new ATOM 0 HG3 LYS A 5 2.866 4.140 -5.892 1.00 70.32 H new ATOM 0 HD2 LYS A 5 2.339 5.066 -7.880 1.00 13.42 H new ATOM 0 HD3 LYS A 5 0.687 5.354 -7.369 1.00 13.42 H new ATOM 0 HE2 LYS A 5 1.992 7.317 -5.963 1.00 64.54 H new ATOM 0 HE3 LYS A 5 3.023 7.200 -7.375 1.00 64.54 H new ATOM 0 HZ1 LYS A 5 1.265 8.813 -7.705 1.00 63.44 H new ATOM 0 HZ2 LYS A 5 1.076 7.520 -8.789 1.00 63.44 H new ATOM 0 HZ3 LYS A 5 0.077 7.633 -7.421 1.00 63.44 H new ATOM 80 N LEU A 6 1.635 2.789 -8.023 1.00 3.23 N ATOM 81 CA LEU A 6 1.559 2.769 -9.479 1.00 55.14 C ATOM 82 C LEU A 6 1.508 1.337 -10.002 1.00 51.13 C ATOM 83 O LEU A 6 0.980 1.079 -11.083 1.00 72.14 O ATOM 84 CB LEU A 6 2.758 3.502 -10.083 1.00 54.41 C ATOM 85 CG LEU A 6 4.137 2.993 -9.664 1.00 32.24 C ATOM 86 CD1 LEU A 6 4.508 1.746 -10.452 1.00 13.22 C ATOM 87 CD2 LEU A 6 5.187 4.078 -9.853 1.00 73.11 C ATOM 0 H LEU A 6 2.555 3.029 -7.652 1.00 3.23 H new ATOM 0 HA LEU A 6 0.642 3.278 -9.777 1.00 55.14 H new ATOM 0 HB2 LEU A 6 2.685 3.442 -11.169 1.00 54.41 H new ATOM 0 HB3 LEU A 6 2.686 4.556 -9.816 1.00 54.41 H new ATOM 0 HG LEU A 6 4.100 2.732 -8.606 1.00 32.24 H new ATOM 0 HD11 LEU A 6 5.493 1.398 -10.140 1.00 13.22 H new ATOM 0 HD12 LEU A 6 3.771 0.965 -10.265 1.00 13.22 H new ATOM 0 HD13 LEU A 6 4.526 1.980 -11.516 1.00 13.22 H new ATOM 0 HD21 LEU A 6 6.162 3.697 -9.550 1.00 73.11 H new ATOM 0 HD22 LEU A 6 5.222 4.371 -10.902 1.00 73.11 H new ATOM 0 HD23 LEU A 6 4.930 4.944 -9.243 1.00 73.11 H new ATOM 99 N ALA A 7 2.059 0.409 -9.226 1.00 52.43 N ATOM 100 CA ALA A 7 2.073 -0.997 -9.609 1.00 55.00 C ATOM 101 C ALA A 7 0.695 -1.627 -9.433 1.00 22.41 C ATOM 102 O ALA A 7 0.250 -2.413 -10.268 1.00 62.41 O ATOM 103 CB ALA A 7 3.110 -1.755 -8.795 1.00 23.42 C ATOM 0 H ALA A 7 2.501 0.606 -8.328 1.00 52.43 H new ATOM 0 HA ALA A 7 2.340 -1.059 -10.664 1.00 55.00 H new ATOM 0 HB1 ALA A 7 3.110 -2.804 -9.091 1.00 23.42 H new ATOM 0 HB2 ALA A 7 4.097 -1.328 -8.974 1.00 23.42 H new ATOM 0 HB3 ALA A 7 2.868 -1.677 -7.735 1.00 23.42 H new ATOM 109 N GLY A 8 0.025 -1.277 -8.339 1.00 74.53 N ATOM 110 CA GLY A 8 -1.295 -1.819 -8.073 1.00 71.34 C ATOM 111 C GLY A 8 -2.388 -1.073 -8.812 1.00 11.30 C ATOM 112 O GLY A 8 -3.495 -1.584 -8.980 1.00 55.14 O ATOM 0 H GLY A 8 0.372 -0.628 -7.633 1.00 74.53 H new ATOM 0 HA2 GLY A 8 -1.318 -2.870 -8.362 1.00 71.34 H new ATOM 0 HA3 GLY A 8 -1.492 -1.778 -7.002 1.00 71.34 H new ATOM 116 N LYS A 9 -2.079 0.142 -9.253 1.00 64.22 N ATOM 117 CA LYS A 9 -3.042 0.962 -9.978 1.00 33.23 C ATOM 118 C LYS A 9 -3.068 0.592 -11.457 1.00 71.33 C ATOM 119 O LYS A 9 -4.131 0.543 -12.077 1.00 64.33 O ATOM 120 CB LYS A 9 -2.703 2.445 -9.818 1.00 44.40 C ATOM 121 CG LYS A 9 -3.338 3.332 -10.875 1.00 41.00 C ATOM 122 CD LYS A 9 -4.831 3.076 -10.993 1.00 51.33 C ATOM 123 CE LYS A 9 -5.631 4.036 -10.127 1.00 13.44 C ATOM 124 NZ LYS A 9 -6.997 4.270 -10.673 1.00 21.02 N ATOM 0 H LYS A 9 -1.168 0.581 -9.121 1.00 64.22 H new ATOM 0 HA LYS A 9 -4.030 0.774 -9.558 1.00 33.23 H new ATOM 0 HB2 LYS A 9 -3.028 2.779 -8.833 1.00 44.40 H new ATOM 0 HB3 LYS A 9 -1.621 2.568 -9.855 1.00 44.40 H new ATOM 0 HG2 LYS A 9 -3.166 4.379 -10.624 1.00 41.00 H new ATOM 0 HG3 LYS A 9 -2.860 3.152 -11.838 1.00 41.00 H new ATOM 0 HD2 LYS A 9 -5.138 3.181 -12.034 1.00 51.33 H new ATOM 0 HD3 LYS A 9 -5.050 2.050 -10.698 1.00 51.33 H new ATOM 0 HE2 LYS A 9 -5.708 3.635 -9.116 1.00 13.44 H new ATOM 0 HE3 LYS A 9 -5.102 4.986 -10.054 1.00 13.44 H new ATOM 0 HZ1 LYS A 9 -7.510 4.930 -10.054 1.00 21.02 H new ATOM 0 HZ2 LYS A 9 -6.924 4.676 -11.628 1.00 21.02 H new ATOM 0 HZ3 LYS A 9 -7.512 3.367 -10.719 1.00 21.02 H new ATOM 138 N LYS A 10 -1.892 0.330 -12.018 1.00 10.43 N ATOM 139 CA LYS A 10 -1.779 -0.038 -13.424 1.00 30.32 C ATOM 140 C LYS A 10 -2.454 -1.380 -13.690 1.00 52.25 C ATOM 141 O LYS A 10 -3.208 -1.525 -14.653 1.00 61.13 O ATOM 142 CB LYS A 10 -0.307 -0.105 -13.838 1.00 53.32 C ATOM 143 CG LYS A 10 -0.065 -0.930 -15.090 1.00 44.22 C ATOM 144 CD LYS A 10 -0.948 -0.473 -16.239 1.00 31.11 C ATOM 145 CE LYS A 10 -0.137 -0.223 -17.501 1.00 22.40 C ATOM 146 NZ LYS A 10 0.096 1.229 -17.732 1.00 44.12 N ATOM 0 H LYS A 10 -1.003 0.366 -11.519 1.00 10.43 H new ATOM 0 HA LYS A 10 -2.282 0.726 -14.016 1.00 30.32 H new ATOM 0 HB2 LYS A 10 0.062 0.907 -14.003 1.00 53.32 H new ATOM 0 HB3 LYS A 10 0.274 -0.526 -13.017 1.00 53.32 H new ATOM 0 HG2 LYS A 10 0.982 -0.852 -15.382 1.00 44.22 H new ATOM 0 HG3 LYS A 10 -0.259 -1.981 -14.877 1.00 44.22 H new ATOM 0 HD2 LYS A 10 -1.708 -1.229 -16.438 1.00 31.11 H new ATOM 0 HD3 LYS A 10 -1.472 0.440 -15.956 1.00 31.11 H new ATOM 0 HE2 LYS A 10 0.821 -0.737 -17.425 1.00 22.40 H new ATOM 0 HE3 LYS A 10 -0.659 -0.648 -18.358 1.00 22.40 H new ATOM 0 HZ1 LYS A 10 0.652 1.357 -18.601 1.00 44.12 H new ATOM 0 HZ2 LYS A 10 -0.818 1.716 -17.830 1.00 44.12 H new ATOM 0 HZ3 LYS A 10 0.617 1.630 -16.926 1.00 44.12 H new ATOM 160 N ILE A 11 -2.180 -2.356 -12.832 1.00 11.03 N ATOM 161 CA ILE A 11 -2.764 -3.684 -12.974 1.00 65.11 C ATOM 162 C ILE A 11 -4.287 -3.620 -12.953 1.00 61.45 C ATOM 163 O ILE A 11 -4.962 -4.417 -13.606 1.00 21.44 O ATOM 164 CB ILE A 11 -2.285 -4.632 -11.858 1.00 14.40 C ATOM 165 CG1 ILE A 11 -2.788 -4.146 -10.497 1.00 2.02 C ATOM 166 CG2 ILE A 11 -0.767 -4.733 -11.863 1.00 54.32 C ATOM 167 CD1 ILE A 11 -4.000 -4.899 -9.996 1.00 72.42 C ATOM 0 H ILE A 11 -1.557 -2.252 -12.031 1.00 11.03 H new ATOM 0 HA ILE A 11 -2.433 -4.073 -13.937 1.00 65.11 H new ATOM 0 HB ILE A 11 -2.695 -5.625 -12.043 1.00 14.40 H new ATOM 0 HG12 ILE A 11 -1.984 -4.241 -9.767 1.00 2.02 H new ATOM 0 HG13 ILE A 11 -3.032 -3.086 -10.566 1.00 2.02 H new ATOM 0 HG21 ILE A 11 -0.445 -5.406 -11.069 1.00 54.32 H new ATOM 0 HG22 ILE A 11 -0.431 -5.120 -12.825 1.00 54.32 H new ATOM 0 HG23 ILE A 11 -0.336 -3.745 -11.699 1.00 54.32 H new ATOM 0 HD11 ILE A 11 -4.301 -4.501 -9.027 1.00 72.42 H new ATOM 0 HD12 ILE A 11 -4.819 -4.784 -10.706 1.00 72.42 H new ATOM 0 HD13 ILE A 11 -3.755 -5.956 -9.894 1.00 72.42 H new ATOM 179 N LYS A 12 -4.824 -2.666 -12.201 1.00 45.54 N ATOM 180 CA LYS A 12 -6.268 -2.494 -12.097 1.00 43.11 C ATOM 181 C LYS A 12 -6.749 -1.368 -13.007 1.00 61.20 C ATOM 182 O LYS A 12 -7.947 -1.106 -13.105 1.00 61.21 O ATOM 183 CB LYS A 12 -6.664 -2.198 -10.649 1.00 5.32 C ATOM 184 CG LYS A 12 -6.582 -0.725 -10.285 1.00 24.43 C ATOM 185 CD LYS A 12 -7.943 -0.055 -10.361 1.00 72.42 C ATOM 186 CE LYS A 12 -8.482 0.271 -8.977 1.00 33.11 C ATOM 187 NZ LYS A 12 -8.057 1.623 -8.521 1.00 12.23 N ATOM 0 H LYS A 12 -4.280 -1.999 -11.654 1.00 45.54 H new ATOM 0 HA LYS A 12 -6.743 -3.422 -12.415 1.00 43.11 H new ATOM 0 HB2 LYS A 12 -7.682 -2.549 -10.480 1.00 5.32 H new ATOM 0 HB3 LYS A 12 -6.016 -2.765 -9.981 1.00 5.32 H new ATOM 0 HG2 LYS A 12 -6.180 -0.620 -9.277 1.00 24.43 H new ATOM 0 HG3 LYS A 12 -5.889 -0.221 -10.959 1.00 24.43 H new ATOM 0 HD2 LYS A 12 -7.867 0.860 -10.948 1.00 72.42 H new ATOM 0 HD3 LYS A 12 -8.643 -0.709 -10.880 1.00 72.42 H new ATOM 0 HE2 LYS A 12 -9.571 0.217 -8.989 1.00 33.11 H new ATOM 0 HE3 LYS A 12 -8.134 -0.478 -8.266 1.00 33.11 H new ATOM 0 HZ1 LYS A 12 -8.445 1.808 -7.574 1.00 12.23 H new ATOM 0 HZ2 LYS A 12 -7.019 1.667 -8.485 1.00 12.23 H new ATOM 0 HZ3 LYS A 12 -8.411 2.341 -9.186 1.00 12.23 H new ATOM 201 N ASN A 13 -5.807 -0.707 -13.672 1.00 2.03 N ATOM 202 CA ASN A 13 -6.136 0.390 -14.575 1.00 4.13 C ATOM 203 C ASN A 13 -6.861 -0.125 -15.814 1.00 43.44 C ATOM 204 O ASN A 13 -7.410 0.655 -16.595 1.00 25.24 O ATOM 205 CB ASN A 13 -4.866 1.137 -14.986 1.00 44.43 C ATOM 206 CG ASN A 13 -5.136 2.207 -16.027 1.00 63.10 C ATOM 207 OD1 ASN A 13 -5.226 1.919 -17.220 1.00 61.45 O ATOM 208 ND2 ASN A 13 -5.266 3.450 -15.578 1.00 21.21 N ATOM 0 H ASN A 13 -4.810 -0.912 -13.603 1.00 2.03 H new ATOM 0 HA ASN A 13 -6.798 1.076 -14.048 1.00 4.13 H new ATOM 0 HB2 ASN A 13 -4.417 1.596 -14.105 1.00 44.43 H new ATOM 0 HB3 ASN A 13 -4.141 0.425 -15.380 1.00 44.43 H new ATOM 0 HD21 ASN A 13 -5.448 4.212 -16.231 1.00 21.21 H new ATOM 0 HD22 ASN A 13 -5.184 3.643 -14.580 1.00 21.21 H new ATOM 215 N LEU A 14 -6.860 -1.441 -15.990 1.00 25.43 N ATOM 216 CA LEU A 14 -7.518 -2.061 -17.134 1.00 62.53 C ATOM 217 C LEU A 14 -9.032 -1.908 -17.041 1.00 15.44 C ATOM 218 O LEU A 14 -9.694 -1.561 -18.020 1.00 61.03 O ATOM 219 CB LEU A 14 -7.149 -3.544 -17.219 1.00 4.53 C ATOM 220 CG LEU A 14 -7.796 -4.333 -18.357 1.00 52.20 C ATOM 221 CD1 LEU A 14 -7.683 -3.570 -19.668 1.00 10.34 C ATOM 222 CD2 LEU A 14 -7.159 -5.709 -18.482 1.00 45.21 C ATOM 0 H LEU A 14 -6.410 -2.100 -15.354 1.00 25.43 H new ATOM 0 HA LEU A 14 -7.175 -1.555 -18.036 1.00 62.53 H new ATOM 0 HB2 LEU A 14 -6.066 -3.623 -17.319 1.00 4.53 H new ATOM 0 HB3 LEU A 14 -7.418 -4.019 -16.276 1.00 4.53 H new ATOM 0 HG LEU A 14 -8.853 -4.464 -18.127 1.00 52.20 H new ATOM 0 HD11 LEU A 14 -8.149 -4.147 -20.466 1.00 10.34 H new ATOM 0 HD12 LEU A 14 -8.187 -2.608 -19.574 1.00 10.34 H new ATOM 0 HD13 LEU A 14 -6.632 -3.407 -19.905 1.00 10.34 H new ATOM 0 HD21 LEU A 14 -7.632 -6.256 -19.297 1.00 45.21 H new ATOM 0 HD22 LEU A 14 -6.094 -5.600 -18.688 1.00 45.21 H new ATOM 0 HD23 LEU A 14 -7.293 -6.258 -17.550 1.00 45.21 H new ATOM 234 N LEU A 15 -9.576 -2.165 -15.856 1.00 62.21 N ATOM 235 CA LEU A 15 -11.013 -2.053 -15.633 1.00 71.10 C ATOM 236 C LEU A 15 -11.499 -0.635 -15.917 1.00 33.44 C ATOM 237 O LEU A 15 -12.484 -0.437 -16.629 1.00 33.45 O ATOM 238 CB LEU A 15 -11.358 -2.445 -14.195 1.00 40.31 C ATOM 239 CG LEU A 15 -10.791 -3.779 -13.709 1.00 35.14 C ATOM 240 CD1 LEU A 15 -11.457 -4.199 -12.407 1.00 5.52 C ATOM 241 CD2 LEU A 15 -10.970 -4.854 -14.771 1.00 52.53 C ATOM 0 H LEU A 15 -9.043 -2.452 -15.035 1.00 62.21 H new ATOM 0 HA LEU A 15 -11.517 -2.734 -16.319 1.00 71.10 H new ATOM 0 HB2 LEU A 15 -11.003 -1.658 -13.530 1.00 40.31 H new ATOM 0 HB3 LEU A 15 -12.443 -2.478 -14.099 1.00 40.31 H new ATOM 0 HG LEU A 15 -9.724 -3.652 -13.525 1.00 35.14 H new ATOM 0 HD11 LEU A 15 -11.041 -5.151 -12.076 1.00 5.52 H new ATOM 0 HD12 LEU A 15 -11.278 -3.440 -11.645 1.00 5.52 H new ATOM 0 HD13 LEU A 15 -12.530 -4.308 -12.566 1.00 5.52 H new ATOM 0 HD21 LEU A 15 -10.561 -5.796 -14.407 1.00 52.53 H new ATOM 0 HD22 LEU A 15 -12.031 -4.979 -14.987 1.00 52.53 H new ATOM 0 HD23 LEU A 15 -10.447 -4.558 -15.680 1.00 52.53 H new ATOM 253 N ILE A 16 -10.801 0.347 -15.357 1.00 32.11 N ATOM 254 CA ILE A 16 -11.160 1.746 -15.553 1.00 10.04 C ATOM 255 C ILE A 16 -10.932 2.175 -16.998 1.00 2.10 C ATOM 256 O ILE A 16 -11.509 3.158 -17.463 1.00 62.10 O ATOM 257 CB ILE A 16 -10.353 2.670 -14.621 1.00 70.32 C ATOM 258 CG1 ILE A 16 -8.865 2.611 -14.973 1.00 30.55 C ATOM 259 CG2 ILE A 16 -10.575 2.281 -13.167 1.00 55.12 C ATOM 260 CD1 ILE A 16 -8.007 3.523 -14.124 1.00 52.24 C ATOM 0 H ILE A 16 -9.984 0.200 -14.764 1.00 32.11 H new ATOM 0 HA ILE A 16 -12.219 1.837 -15.313 1.00 10.04 H new ATOM 0 HB ILE A 16 -10.700 3.694 -14.759 1.00 70.32 H new ATOM 0 HG12 ILE A 16 -8.513 1.585 -14.860 1.00 30.55 H new ATOM 0 HG13 ILE A 16 -8.737 2.878 -16.022 1.00 30.55 H new ATOM 0 HG21 ILE A 16 -9.998 2.943 -12.521 1.00 55.12 H new ATOM 0 HG22 ILE A 16 -11.634 2.369 -12.924 1.00 55.12 H new ATOM 0 HG23 ILE A 16 -10.252 1.251 -13.012 1.00 55.12 H new ATOM 0 HD11 ILE A 16 -6.965 3.429 -14.429 1.00 52.24 H new ATOM 0 HD12 ILE A 16 -8.332 4.555 -14.256 1.00 52.24 H new ATOM 0 HD13 ILE A 16 -8.105 3.243 -13.075 1.00 52.24 H new ATOM 272 N SER A 17 -10.088 1.430 -17.704 1.00 44.14 N ATOM 273 CA SER A 17 -9.781 1.734 -19.097 1.00 53.23 C ATOM 274 C SER A 17 -10.814 1.109 -20.030 1.00 14.12 C ATOM 275 O SER A 17 -11.198 1.702 -21.037 1.00 45.41 O ATOM 276 CB SER A 17 -8.382 1.229 -19.456 1.00 13.32 C ATOM 277 OG SER A 17 -7.394 2.192 -19.132 1.00 52.14 O ATOM 0 H SER A 17 -9.604 0.611 -17.335 1.00 44.14 H new ATOM 0 HA SER A 17 -9.812 2.816 -19.221 1.00 53.23 H new ATOM 0 HB2 SER A 17 -8.179 0.301 -18.922 1.00 13.32 H new ATOM 0 HB3 SER A 17 -8.336 1.001 -20.521 1.00 13.32 H new ATOM 0 HG SER A 17 -6.840 1.857 -18.396 1.00 52.14 H new ATOM 283 N GLY A 18 -11.262 -0.095 -19.685 1.00 43.24 N ATOM 284 CA GLY A 18 -12.246 -0.782 -20.501 1.00 51.30 C ATOM 285 C GLY A 18 -13.668 -0.490 -20.063 1.00 5.11 C ATOM 286 O GLY A 18 -14.625 -0.925 -20.705 1.00 3.42 O ATOM 0 H GLY A 18 -10.961 -0.606 -18.855 1.00 43.24 H new ATOM 0 HA2 GLY A 18 -12.121 -0.485 -21.542 1.00 51.30 H new ATOM 0 HA3 GLY A 18 -12.067 -1.856 -20.453 1.00 51.30 H new ATOM 290 N LEU A 19 -13.807 0.247 -18.966 1.00 73.33 N ATOM 291 CA LEU A 19 -15.123 0.595 -18.441 1.00 51.12 C ATOM 292 C LEU A 19 -15.690 1.816 -19.158 1.00 44.34 C ATOM 293 O LEU A 19 -16.586 1.699 -19.994 1.00 32.00 O ATOM 294 CB LEU A 19 -15.039 0.866 -16.938 1.00 62.30 C ATOM 295 CG LEU A 19 -16.291 1.459 -16.292 1.00 33.55 C ATOM 296 CD1 LEU A 19 -16.812 0.541 -15.197 1.00 33.43 C ATOM 297 CD2 LEU A 19 -15.999 2.844 -15.734 1.00 41.02 C ATOM 0 H LEU A 19 -13.025 0.615 -18.423 1.00 73.33 H new ATOM 0 HA LEU A 19 -15.791 -0.249 -18.615 1.00 51.12 H new ATOM 0 HB2 LEU A 19 -14.803 -0.071 -16.433 1.00 62.30 H new ATOM 0 HB3 LEU A 19 -14.205 1.545 -16.758 1.00 62.30 H new ATOM 0 HG LEU A 19 -17.061 1.553 -17.057 1.00 33.55 H new ATOM 0 HD11 LEU A 19 -17.703 0.979 -14.748 1.00 33.43 H new ATOM 0 HD12 LEU A 19 -17.061 -0.430 -15.624 1.00 33.43 H new ATOM 0 HD13 LEU A 19 -16.045 0.415 -14.432 1.00 33.43 H new ATOM 0 HD21 LEU A 19 -16.902 3.250 -15.278 1.00 41.02 H new ATOM 0 HD22 LEU A 19 -15.212 2.775 -14.983 1.00 41.02 H new ATOM 0 HD23 LEU A 19 -15.673 3.500 -16.541 1.00 41.02 H new ATOM 309 N LYS A 20 -15.159 2.989 -18.828 1.00 31.10 N ATOM 310 CA LYS A 20 -15.608 4.233 -19.442 1.00 73.31 C ATOM 311 C LYS A 20 -15.345 4.224 -20.945 1.00 21.25 C ATOM 312 O LYS A 20 -16.082 4.834 -21.717 1.00 50.44 O ATOM 313 CB LYS A 20 -14.903 5.428 -18.797 1.00 61.20 C ATOM 314 CG LYS A 20 -15.145 6.741 -19.522 1.00 21.43 C ATOM 315 CD LYS A 20 -13.890 7.228 -20.227 1.00 31.14 C ATOM 316 CE LYS A 20 -14.211 7.821 -21.590 1.00 13.43 C ATOM 317 NZ LYS A 20 -13.173 8.794 -22.030 1.00 62.41 N ATOM 0 H LYS A 20 -14.417 3.104 -18.138 1.00 31.10 H new ATOM 0 HA LYS A 20 -16.682 4.322 -19.279 1.00 73.31 H new ATOM 0 HB2 LYS A 20 -15.241 5.525 -17.765 1.00 61.20 H new ATOM 0 HB3 LYS A 20 -13.831 5.233 -18.765 1.00 61.20 H new ATOM 0 HG2 LYS A 20 -15.946 6.613 -20.250 1.00 21.43 H new ATOM 0 HG3 LYS A 20 -15.479 7.495 -18.809 1.00 21.43 H new ATOM 0 HD2 LYS A 20 -13.393 7.977 -19.611 1.00 31.14 H new ATOM 0 HD3 LYS A 20 -13.193 6.399 -20.345 1.00 31.14 H new ATOM 0 HE2 LYS A 20 -14.292 7.020 -22.325 1.00 13.43 H new ATOM 0 HE3 LYS A 20 -15.181 8.317 -21.551 1.00 13.43 H new ATOM 0 HZ1 LYS A 20 -13.428 9.176 -22.963 1.00 62.41 H new ATOM 0 HZ2 LYS A 20 -13.113 9.572 -21.342 1.00 62.41 H new ATOM 0 HZ3 LYS A 20 -12.252 8.315 -22.092 1.00 62.41 H new ATOM 331 N GLY A 21 -14.289 3.526 -21.352 1.00 31.42 N ATOM 332 CA GLY A 21 -13.949 3.449 -22.760 1.00 44.45 C ATOM 333 C GLY A 21 -14.321 2.115 -23.376 1.00 23.15 C ATOM 334 O GLY A 21 -13.615 1.123 -23.196 1.00 24.20 O ATOM 0 H GLY A 21 -13.663 3.013 -20.731 1.00 31.42 H new ATOM 0 HA2 GLY A 21 -14.459 4.248 -23.298 1.00 44.45 H new ATOM 0 HA3 GLY A 21 -12.879 3.616 -22.881 1.00 44.45 H new TER 338 GLY A 21