USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=4 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= -2.92! C(o=-2.4!,f=-3.7!) USER MOD Set 1.2: A 17 SER OG : rot 97:sc= 0.566 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 46:sc= 1.25 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0517) 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 20 LYS NZ :NH3+ -165:sc= 0.0227 (180deg=-0.0578) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 13.00 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 45.03 C ATOM 3 C GLY A 1 2.341 1.402 -1.760 1.00 70.45 C ATOM 4 O GLY A 1 1.958 1.744 -2.880 1.00 12.05 O ATOM 0 H1 GLY A 1 1.171 -0.980 0.309 1.00 13.00 H new ATOM 0 H2 GLY A 1 1.873 0.508 0.727 1.00 13.00 H new ATOM 0 H3 GLY A 1 0.414 0.472 -0.140 1.00 13.00 H new ATOM 0 HA2 GLY A 1 3.018 -0.519 -1.104 1.00 45.03 H new ATOM 0 HA3 GLY A 1 1.512 -0.556 -1.999 1.00 45.03 H new ATOM 8 N ILE A 2 3.000 2.214 -0.941 1.00 21.40 N ATOM 9 CA ILE A 2 3.319 3.585 -1.319 1.00 24.24 C ATOM 10 C ILE A 2 3.970 3.638 -2.697 1.00 4.14 C ATOM 11 O ILE A 2 3.332 4.005 -3.683 1.00 75.41 O ATOM 12 CB ILE A 2 4.259 4.247 -0.293 1.00 72.15 C ATOM 13 CG1 ILE A 2 5.174 3.199 0.343 1.00 1.13 C ATOM 14 CG2 ILE A 2 3.452 4.972 0.773 1.00 20.24 C ATOM 15 CD1 ILE A 2 6.617 3.642 0.450 1.00 74.52 C ATOM 0 H ILE A 2 3.323 1.946 -0.011 1.00 21.40 H new ATOM 0 HA ILE A 2 2.377 4.133 -1.344 1.00 24.24 H new ATOM 0 HB ILE A 2 4.881 4.978 -0.810 1.00 72.15 H new ATOM 0 HG12 ILE A 2 4.801 2.959 1.339 1.00 1.13 H new ATOM 0 HG13 ILE A 2 5.126 2.282 -0.245 1.00 1.13 H new ATOM 0 HG21 ILE A 2 4.130 5.435 1.491 1.00 20.24 H new ATOM 0 HG22 ILE A 2 2.839 5.742 0.304 1.00 20.24 H new ATOM 0 HG23 ILE A 2 2.808 4.260 1.289 1.00 20.24 H new ATOM 0 HD11 ILE A 2 7.208 2.850 0.910 1.00 74.52 H new ATOM 0 HD12 ILE A 2 7.007 3.854 -0.545 1.00 74.52 H new ATOM 0 HD13 ILE A 2 6.677 4.542 1.063 1.00 74.52 H new ATOM 27 N PHE A 3 5.245 3.268 -2.757 1.00 43.12 N ATOM 28 CA PHE A 3 5.984 3.273 -4.015 1.00 34.32 C ATOM 29 C PHE A 3 5.327 2.346 -5.034 1.00 44.11 C ATOM 30 O PHE A 3 5.617 2.415 -6.228 1.00 65.34 O ATOM 31 CB PHE A 3 7.434 2.846 -3.781 1.00 3.15 C ATOM 32 CG PHE A 3 7.567 1.620 -2.924 1.00 25.34 C ATOM 33 CD1 PHE A 3 7.090 0.396 -3.364 1.00 31.23 C ATOM 34 CD2 PHE A 3 8.171 1.691 -1.678 1.00 73.33 C ATOM 35 CE1 PHE A 3 7.211 -0.734 -2.577 1.00 14.02 C ATOM 36 CE2 PHE A 3 8.295 0.564 -0.887 1.00 53.21 C ATOM 37 CZ PHE A 3 7.815 -0.650 -1.338 1.00 12.05 C ATOM 0 H PHE A 3 5.788 2.961 -1.950 1.00 43.12 H new ATOM 0 HA PHE A 3 5.971 4.288 -4.411 1.00 34.32 H new ATOM 0 HB2 PHE A 3 7.909 2.660 -4.744 1.00 3.15 H new ATOM 0 HB3 PHE A 3 7.975 3.668 -3.312 1.00 3.15 H new ATOM 0 HD1 PHE A 3 6.618 0.324 -4.333 1.00 31.23 H new ATOM 0 HD2 PHE A 3 8.549 2.638 -1.321 1.00 73.33 H new ATOM 0 HE1 PHE A 3 6.833 -1.682 -2.931 1.00 14.02 H new ATOM 0 HE2 PHE A 3 8.767 0.633 0.082 1.00 53.21 H new ATOM 0 HZ PHE A 3 7.912 -1.532 -0.723 1.00 12.05 H new ATOM 47 N SER A 4 4.442 1.479 -4.553 1.00 52.51 N ATOM 48 CA SER A 4 3.747 0.535 -5.421 1.00 1.54 C ATOM 49 C SER A 4 2.415 1.110 -5.892 1.00 14.02 C ATOM 50 O SER A 4 1.672 0.463 -6.630 1.00 71.33 O ATOM 51 CB SER A 4 3.514 -0.787 -4.688 1.00 25.22 C ATOM 52 OG SER A 4 4.716 -1.270 -4.113 1.00 64.01 O ATOM 0 H SER A 4 4.189 1.410 -3.567 1.00 52.51 H new ATOM 0 HA SER A 4 4.373 0.353 -6.294 1.00 1.54 H new ATOM 0 HB2 SER A 4 2.765 -0.647 -3.909 1.00 25.22 H new ATOM 0 HB3 SER A 4 3.117 -1.527 -5.383 1.00 25.22 H new ATOM 0 HG SER A 4 5.176 -0.537 -3.653 1.00 64.01 H new ATOM 58 N LYS A 5 2.118 2.331 -5.459 1.00 71.23 N ATOM 59 CA LYS A 5 0.876 2.996 -5.836 1.00 63.11 C ATOM 60 C LYS A 5 0.650 2.912 -7.342 1.00 53.22 C ATOM 61 O LYS A 5 -0.457 2.622 -7.799 1.00 11.53 O ATOM 62 CB LYS A 5 0.904 4.461 -5.394 1.00 71.24 C ATOM 63 CG LYS A 5 2.110 5.228 -5.908 1.00 54.43 C ATOM 64 CD LYS A 5 1.816 5.902 -7.239 1.00 24.24 C ATOM 65 CE LYS A 5 2.108 7.394 -7.184 1.00 73.33 C ATOM 66 NZ LYS A 5 1.139 8.178 -8.000 1.00 23.14 N ATOM 0 H LYS A 5 2.721 2.880 -4.846 1.00 71.23 H new ATOM 0 HA LYS A 5 0.053 2.487 -5.334 1.00 63.11 H new ATOM 0 HB2 LYS A 5 -0.004 4.954 -5.741 1.00 71.24 H new ATOM 0 HB3 LYS A 5 0.894 4.504 -4.305 1.00 71.24 H new ATOM 0 HG2 LYS A 5 2.404 5.980 -5.175 1.00 54.43 H new ATOM 0 HG3 LYS A 5 2.954 4.547 -6.022 1.00 54.43 H new ATOM 0 HD2 LYS A 5 2.418 5.441 -8.022 1.00 24.24 H new ATOM 0 HD3 LYS A 5 0.771 5.744 -7.505 1.00 24.24 H new ATOM 0 HE2 LYS A 5 2.070 7.734 -6.149 1.00 73.33 H new ATOM 0 HE3 LYS A 5 3.120 7.580 -7.544 1.00 73.33 H new ATOM 0 HZ1 LYS A 5 1.371 9.190 -7.937 1.00 23.14 H new ATOM 0 HZ2 LYS A 5 1.193 7.871 -8.992 1.00 23.14 H new ATOM 0 HZ3 LYS A 5 0.176 8.021 -7.641 1.00 23.14 H new ATOM 80 N LEU A 6 1.704 3.166 -8.109 1.00 50.14 N ATOM 81 CA LEU A 6 1.620 3.118 -9.565 1.00 64.10 C ATOM 82 C LEU A 6 1.539 1.677 -10.058 1.00 71.23 C ATOM 83 O LEU A 6 0.996 1.407 -11.129 1.00 72.31 O ATOM 84 CB LEU A 6 2.831 3.815 -10.188 1.00 61.44 C ATOM 85 CG LEU A 6 4.202 3.288 -9.762 1.00 12.12 C ATOM 86 CD1 LEU A 6 4.548 2.020 -10.527 1.00 2.14 C ATOM 87 CD2 LEU A 6 5.271 4.350 -9.974 1.00 52.12 C ATOM 0 H LEU A 6 2.627 3.407 -7.748 1.00 50.14 H new ATOM 0 HA LEU A 6 0.712 3.638 -9.870 1.00 64.10 H new ATOM 0 HB2 LEU A 6 2.754 3.734 -11.272 1.00 61.44 H new ATOM 0 HB3 LEU A 6 2.780 4.876 -9.943 1.00 61.44 H new ATOM 0 HG LEU A 6 4.163 3.047 -8.700 1.00 12.12 H new ATOM 0 HD11 LEU A 6 5.527 1.660 -10.211 1.00 2.14 H new ATOM 0 HD12 LEU A 6 3.797 1.256 -10.324 1.00 2.14 H new ATOM 0 HD13 LEU A 6 4.568 2.234 -11.596 1.00 2.14 H new ATOM 0 HD21 LEU A 6 6.240 3.958 -9.666 1.00 52.12 H new ATOM 0 HD22 LEU A 6 5.309 4.623 -11.029 1.00 52.12 H new ATOM 0 HD23 LEU A 6 5.031 5.232 -9.380 1.00 52.12 H new ATOM 99 N ALA A 7 2.080 0.755 -9.269 1.00 4.11 N ATOM 100 CA ALA A 7 2.065 -0.659 -9.623 1.00 42.32 C ATOM 101 C ALA A 7 0.680 -1.262 -9.415 1.00 2.11 C ATOM 102 O ALA A 7 0.213 -2.062 -10.224 1.00 53.02 O ATOM 103 CB ALA A 7 3.102 -1.418 -8.808 1.00 73.24 C ATOM 0 H ALA A 7 2.535 0.962 -8.380 1.00 4.11 H new ATOM 0 HA ALA A 7 2.315 -0.747 -10.680 1.00 42.32 H new ATOM 0 HB1 ALA A 7 3.080 -2.473 -9.083 1.00 73.24 H new ATOM 0 HB2 ALA A 7 4.093 -1.011 -9.010 1.00 73.24 H new ATOM 0 HB3 ALA A 7 2.877 -1.315 -7.746 1.00 73.24 H new ATOM 109 N GLY A 8 0.028 -0.873 -8.323 1.00 62.12 N ATOM 110 CA GLY A 8 -1.297 -1.386 -8.028 1.00 63.41 C ATOM 111 C GLY A 8 -2.386 -0.647 -8.780 1.00 64.43 C ATOM 112 O GLY A 8 -3.502 -1.147 -8.922 1.00 12.35 O ATOM 0 H GLY A 8 0.394 -0.212 -7.638 1.00 62.12 H new ATOM 0 HA2 GLY A 8 -1.338 -2.445 -8.283 1.00 63.41 H new ATOM 0 HA3 GLY A 8 -1.483 -1.309 -6.957 1.00 63.41 H new ATOM 116 N LYS A 9 -2.062 0.547 -9.264 1.00 12.21 N ATOM 117 CA LYS A 9 -3.021 1.358 -10.006 1.00 24.04 C ATOM 118 C LYS A 9 -3.062 0.945 -11.473 1.00 44.24 C ATOM 119 O LYS A 9 -4.133 0.854 -12.074 1.00 24.42 O ATOM 120 CB LYS A 9 -2.661 2.841 -9.892 1.00 11.12 C ATOM 121 CG LYS A 9 -3.400 3.724 -10.882 1.00 73.13 C ATOM 122 CD LYS A 9 -4.878 3.374 -10.947 1.00 4.14 C ATOM 123 CE LYS A 9 -5.748 4.621 -10.900 1.00 71.44 C ATOM 124 NZ LYS A 9 -5.455 5.544 -12.031 1.00 4.31 N ATOM 0 H LYS A 9 -1.142 0.975 -9.156 1.00 12.21 H new ATOM 0 HA LYS A 9 -4.008 1.196 -9.574 1.00 24.04 H new ATOM 0 HB2 LYS A 9 -2.879 3.182 -8.880 1.00 11.12 H new ATOM 0 HB3 LYS A 9 -1.588 2.958 -10.044 1.00 11.12 H new ATOM 0 HG2 LYS A 9 -3.285 4.769 -10.595 1.00 73.13 H new ATOM 0 HG3 LYS A 9 -2.955 3.614 -11.871 1.00 73.13 H new ATOM 0 HD2 LYS A 9 -5.082 2.821 -11.864 1.00 4.14 H new ATOM 0 HD3 LYS A 9 -5.135 2.718 -10.115 1.00 4.14 H new ATOM 0 HE2 LYS A 9 -6.799 4.332 -10.930 1.00 71.44 H new ATOM 0 HE3 LYS A 9 -5.587 5.141 -9.956 1.00 71.44 H new ATOM 0 HZ1 LYS A 9 -6.185 6.284 -12.074 1.00 4.31 H new ATOM 0 HZ2 LYS A 9 -4.524 5.984 -11.887 1.00 4.31 H new ATOM 0 HZ3 LYS A 9 -5.451 5.010 -12.923 1.00 4.31 H new ATOM 138 N LYS A 10 -1.889 0.696 -12.046 1.00 61.50 N ATOM 139 CA LYS A 10 -1.790 0.289 -13.443 1.00 1.41 C ATOM 140 C LYS A 10 -2.468 -1.059 -13.667 1.00 4.31 C ATOM 141 O LYS A 10 -3.219 -1.234 -14.626 1.00 53.03 O ATOM 142 CB LYS A 10 -0.322 0.212 -13.870 1.00 75.22 C ATOM 143 CG LYS A 10 -0.092 -0.650 -15.099 1.00 64.51 C ATOM 144 CD LYS A 10 -0.988 -0.230 -16.252 1.00 30.13 C ATOM 145 CE LYS A 10 -0.191 -0.022 -17.530 1.00 50.53 C ATOM 146 NZ LYS A 10 0.120 1.416 -17.762 1.00 3.25 N ATOM 0 H LYS A 10 -0.993 0.769 -11.564 1.00 61.50 H new ATOM 0 HA LYS A 10 -2.300 1.037 -14.050 1.00 1.41 H new ATOM 0 HB2 LYS A 10 0.043 1.219 -14.069 1.00 75.22 H new ATOM 0 HB3 LYS A 10 0.268 -0.183 -13.043 1.00 75.22 H new ATOM 0 HG2 LYS A 10 0.952 -0.579 -15.404 1.00 64.51 H new ATOM 0 HG3 LYS A 10 -0.281 -1.695 -14.852 1.00 64.51 H new ATOM 0 HD2 LYS A 10 -1.751 -0.991 -16.417 1.00 30.13 H new ATOM 0 HD3 LYS A 10 -1.509 0.692 -15.993 1.00 30.13 H new ATOM 0 HE2 LYS A 10 0.738 -0.590 -17.475 1.00 50.53 H new ATOM 0 HE3 LYS A 10 -0.755 -0.413 -18.377 1.00 50.53 H new ATOM 0 HZ1 LYS A 10 0.664 1.516 -18.643 1.00 3.25 H new ATOM 0 HZ2 LYS A 10 -0.766 1.955 -17.840 1.00 3.25 H new ATOM 0 HZ3 LYS A 10 0.680 1.783 -16.966 1.00 3.25 H new ATOM 160 N ILE A 11 -2.198 -2.007 -12.776 1.00 2.42 N ATOM 161 CA ILE A 11 -2.784 -3.337 -12.876 1.00 20.43 C ATOM 162 C ILE A 11 -4.307 -3.270 -12.855 1.00 73.12 C ATOM 163 O ILE A 11 -4.985 -4.084 -13.484 1.00 45.52 O ATOM 164 CB ILE A 11 -2.306 -4.250 -11.731 1.00 72.42 C ATOM 165 CG1 ILE A 11 -2.798 -3.716 -10.384 1.00 73.54 C ATOM 166 CG2 ILE A 11 -0.789 -4.362 -11.741 1.00 1.34 C ATOM 167 CD1 ILE A 11 -4.010 -4.448 -9.850 1.00 62.15 C ATOM 0 H ILE A 11 -1.577 -1.878 -11.977 1.00 2.42 H new ATOM 0 HA ILE A 11 -2.454 -3.756 -13.827 1.00 20.43 H new ATOM 0 HB ILE A 11 -2.725 -5.245 -11.880 1.00 72.42 H new ATOM 0 HG12 ILE A 11 -1.990 -3.789 -9.656 1.00 73.54 H new ATOM 0 HG13 ILE A 11 -3.039 -2.658 -10.488 1.00 73.54 H new ATOM 0 HG21 ILE A 11 -0.467 -5.010 -10.926 1.00 1.34 H new ATOM 0 HG22 ILE A 11 -0.462 -4.784 -12.691 1.00 1.34 H new ATOM 0 HG23 ILE A 11 -0.350 -3.372 -11.613 1.00 1.34 H new ATOM 0 HD11 ILE A 11 -4.303 -4.016 -8.893 1.00 62.15 H new ATOM 0 HD12 ILE A 11 -4.833 -4.354 -10.558 1.00 62.15 H new ATOM 0 HD13 ILE A 11 -3.768 -5.502 -9.714 1.00 62.15 H new ATOM 179 N LYS A 12 -4.841 -2.294 -12.129 1.00 51.33 N ATOM 180 CA LYS A 12 -6.285 -2.116 -12.028 1.00 62.32 C ATOM 181 C LYS A 12 -6.764 -1.011 -12.964 1.00 0.24 C ATOM 182 O LYS A 12 -7.960 -0.741 -13.059 1.00 34.02 O ATOM 183 CB LYS A 12 -6.679 -1.786 -10.587 1.00 11.11 C ATOM 184 CG LYS A 12 -6.616 -0.303 -10.264 1.00 20.13 C ATOM 185 CD LYS A 12 -7.984 0.350 -10.372 1.00 23.10 C ATOM 186 CE LYS A 12 -8.175 1.423 -9.311 1.00 65.01 C ATOM 187 NZ LYS A 12 -9.613 1.639 -8.993 1.00 32.20 N ATOM 0 H LYS A 12 -4.295 -1.613 -11.601 1.00 51.33 H new ATOM 0 HA LYS A 12 -6.763 -3.050 -12.324 1.00 62.32 H new ATOM 0 HB2 LYS A 12 -7.691 -2.146 -10.404 1.00 11.11 H new ATOM 0 HB3 LYS A 12 -6.021 -2.326 -9.906 1.00 11.11 H new ATOM 0 HG2 LYS A 12 -6.225 -0.166 -9.256 1.00 20.13 H new ATOM 0 HG3 LYS A 12 -5.922 0.189 -10.945 1.00 20.13 H new ATOM 0 HD2 LYS A 12 -8.101 0.791 -11.362 1.00 23.10 H new ATOM 0 HD3 LYS A 12 -8.760 -0.409 -10.268 1.00 23.10 H new ATOM 0 HE2 LYS A 12 -7.642 1.136 -8.405 1.00 65.01 H new ATOM 0 HE3 LYS A 12 -7.735 2.358 -9.657 1.00 65.01 H new ATOM 0 HZ1 LYS A 12 -9.701 2.378 -8.266 1.00 32.20 H new ATOM 0 HZ2 LYS A 12 -10.118 1.937 -9.852 1.00 32.20 H new ATOM 0 HZ3 LYS A 12 -10.027 0.753 -8.638 1.00 32.20 H new ATOM 201 N ASN A 13 -5.822 -0.376 -13.653 1.00 41.41 N ATOM 202 CA ASN A 13 -6.149 0.700 -14.582 1.00 42.10 C ATOM 203 C ASN A 13 -6.815 0.149 -15.839 1.00 41.53 C ATOM 204 O ASN A 13 -7.301 0.907 -16.681 1.00 24.15 O ATOM 205 CB ASN A 13 -4.886 1.478 -14.959 1.00 73.21 C ATOM 206 CG ASN A 13 -5.161 2.568 -15.977 1.00 31.11 C ATOM 207 OD1 ASN A 13 -5.781 3.584 -15.663 1.00 34.23 O ATOM 208 ND2 ASN A 13 -4.699 2.361 -17.205 1.00 33.24 N ATOM 0 H ASN A 13 -4.826 -0.587 -13.586 1.00 41.41 H new ATOM 0 HA ASN A 13 -6.848 1.374 -14.087 1.00 42.10 H new ATOM 0 HB2 ASN A 13 -4.455 1.923 -14.062 1.00 73.21 H new ATOM 0 HB3 ASN A 13 -4.144 0.788 -15.361 1.00 73.21 H new ATOM 0 HD21 ASN A 13 -4.853 3.059 -17.932 1.00 33.24 H new ATOM 0 HD22 ASN A 13 -4.190 1.504 -17.421 1.00 33.24 H new ATOM 215 N LEU A 14 -6.835 -1.173 -15.961 1.00 24.34 N ATOM 216 CA LEU A 14 -7.442 -1.827 -17.115 1.00 1.31 C ATOM 217 C LEU A 14 -8.964 -1.798 -17.019 1.00 1.13 C ATOM 218 O LEU A 14 -9.654 -1.525 -18.002 1.00 62.00 O ATOM 219 CB LEU A 14 -6.954 -3.272 -17.223 1.00 25.43 C ATOM 220 CG LEU A 14 -7.559 -4.103 -18.355 1.00 13.22 C ATOM 221 CD1 LEU A 14 -7.555 -3.315 -19.656 1.00 33.13 C ATOM 222 CD2 LEU A 14 -6.802 -5.412 -18.520 1.00 30.43 C ATOM 0 H LEU A 14 -6.438 -1.814 -15.274 1.00 24.34 H new ATOM 0 HA LEU A 14 -7.142 -1.281 -18.010 1.00 1.31 H new ATOM 0 HB2 LEU A 14 -5.871 -3.260 -17.347 1.00 25.43 H new ATOM 0 HB3 LEU A 14 -7.161 -3.776 -16.279 1.00 25.43 H new ATOM 0 HG LEU A 14 -8.592 -4.335 -18.097 1.00 13.22 H new ATOM 0 HD11 LEU A 14 -7.989 -3.922 -20.450 1.00 33.13 H new ATOM 0 HD12 LEU A 14 -8.143 -2.405 -19.532 1.00 33.13 H new ATOM 0 HD13 LEU A 14 -6.530 -3.052 -19.919 1.00 33.13 H new ATOM 0 HD21 LEU A 14 -7.247 -5.990 -19.330 1.00 30.43 H new ATOM 0 HD22 LEU A 14 -5.759 -5.202 -18.755 1.00 30.43 H new ATOM 0 HD23 LEU A 14 -6.857 -5.984 -17.594 1.00 30.43 H new ATOM 234 N LEU A 15 -9.482 -2.079 -15.828 1.00 44.01 N ATOM 235 CA LEU A 15 -10.923 -2.083 -15.602 1.00 62.21 C ATOM 236 C LEU A 15 -11.509 -0.689 -15.802 1.00 33.34 C ATOM 237 O LEU A 15 -12.548 -0.529 -16.442 1.00 55.54 O ATOM 238 CB LEU A 15 -11.236 -2.583 -14.191 1.00 31.51 C ATOM 239 CG LEU A 15 -10.543 -3.880 -13.769 1.00 51.40 C ATOM 240 CD1 LEU A 15 -11.163 -4.425 -12.492 1.00 1.12 C ATOM 241 CD2 LEU A 15 -10.619 -4.912 -14.884 1.00 71.40 C ATOM 0 H LEU A 15 -8.925 -2.307 -15.004 1.00 44.01 H new ATOM 0 HA LEU A 15 -11.378 -2.756 -16.328 1.00 62.21 H new ATOM 0 HB2 LEU A 15 -10.964 -1.802 -13.482 1.00 31.51 H new ATOM 0 HB3 LEU A 15 -12.313 -2.727 -14.109 1.00 31.51 H new ATOM 0 HG LEU A 15 -9.493 -3.662 -13.574 1.00 51.40 H new ATOM 0 HD11 LEU A 15 -10.657 -5.348 -12.207 1.00 1.12 H new ATOM 0 HD12 LEU A 15 -11.056 -3.691 -11.693 1.00 1.12 H new ATOM 0 HD13 LEU A 15 -12.221 -4.628 -12.659 1.00 1.12 H new ATOM 0 HD21 LEU A 15 -10.121 -5.828 -14.566 1.00 71.40 H new ATOM 0 HD22 LEU A 15 -11.663 -5.126 -15.111 1.00 71.40 H new ATOM 0 HD23 LEU A 15 -10.127 -4.522 -15.775 1.00 71.40 H new ATOM 253 N ILE A 16 -10.836 0.315 -15.251 1.00 24.21 N ATOM 254 CA ILE A 16 -11.288 1.695 -15.372 1.00 14.04 C ATOM 255 C ILE A 16 -11.074 2.222 -16.786 1.00 45.42 C ATOM 256 O ILE A 16 -11.657 3.233 -17.178 1.00 72.33 O ATOM 257 CB ILE A 16 -10.559 2.616 -14.376 1.00 43.00 C ATOM 258 CG1 ILE A 16 -9.091 2.776 -14.777 1.00 62.32 C ATOM 259 CG2 ILE A 16 -10.670 2.063 -12.963 1.00 71.22 C ATOM 260 CD1 ILE A 16 -8.730 4.183 -15.200 1.00 25.43 C ATOM 0 H ILE A 16 -9.975 0.198 -14.716 1.00 24.21 H new ATOM 0 HA ILE A 16 -12.354 1.699 -15.144 1.00 14.04 H new ATOM 0 HB ILE A 16 -11.032 3.598 -14.399 1.00 43.00 H new ATOM 0 HG12 ILE A 16 -8.460 2.484 -13.938 1.00 62.32 H new ATOM 0 HG13 ILE A 16 -8.870 2.091 -15.596 1.00 62.32 H new ATOM 0 HG21 ILE A 16 -10.150 2.725 -12.271 1.00 71.22 H new ATOM 0 HG22 ILE A 16 -11.720 1.996 -12.680 1.00 71.22 H new ATOM 0 HG23 ILE A 16 -10.219 1.071 -12.924 1.00 71.22 H new ATOM 0 HD11 ILE A 16 -7.675 4.222 -15.470 1.00 25.43 H new ATOM 0 HD12 ILE A 16 -9.336 4.471 -16.059 1.00 25.43 H new ATOM 0 HD13 ILE A 16 -8.919 4.871 -14.376 1.00 25.43 H new ATOM 272 N SER A 17 -10.233 1.530 -17.549 1.00 11.24 N ATOM 273 CA SER A 17 -9.939 1.930 -18.920 1.00 33.31 C ATOM 274 C SER A 17 -10.890 1.249 -19.900 1.00 13.03 C ATOM 275 O SER A 17 -11.297 1.839 -20.899 1.00 42.55 O ATOM 276 CB SER A 17 -8.491 1.586 -19.275 1.00 34.44 C ATOM 277 OG SER A 17 -7.608 2.616 -18.867 1.00 22.45 O ATOM 0 H SER A 17 -9.744 0.690 -17.241 1.00 11.24 H new ATOM 0 HA SER A 17 -10.078 3.009 -18.995 1.00 33.31 H new ATOM 0 HB2 SER A 17 -8.208 0.649 -18.795 1.00 34.44 H new ATOM 0 HB3 SER A 17 -8.404 1.432 -20.351 1.00 34.44 H new ATOM 0 HG SER A 17 -7.215 2.385 -18.000 1.00 22.45 H new ATOM 283 N GLY A 18 -11.241 0.001 -19.604 1.00 71.11 N ATOM 284 CA GLY A 18 -12.141 -0.741 -20.468 1.00 13.24 C ATOM 285 C GLY A 18 -13.591 -0.605 -20.047 1.00 53.55 C ATOM 286 O GLY A 18 -14.490 -1.122 -20.713 1.00 4.12 O ATOM 0 H GLY A 18 -10.918 -0.509 -18.782 1.00 71.11 H new ATOM 0 HA2 GLY A 18 -12.029 -0.388 -21.493 1.00 13.24 H new ATOM 0 HA3 GLY A 18 -11.861 -1.794 -20.461 1.00 13.24 H new ATOM 290 N LEU A 19 -13.822 0.092 -18.940 1.00 24.11 N ATOM 291 CA LEU A 19 -15.174 0.294 -18.430 1.00 64.52 C ATOM 292 C LEU A 19 -15.896 1.382 -19.218 1.00 61.30 C ATOM 293 O LEU A 19 -16.767 1.095 -20.040 1.00 24.52 O ATOM 294 CB LEU A 19 -15.130 0.665 -16.947 1.00 14.20 C ATOM 295 CG LEU A 19 -16.438 1.182 -16.346 1.00 72.31 C ATOM 296 CD1 LEU A 19 -17.560 0.180 -16.569 1.00 33.43 C ATOM 297 CD2 LEU A 19 -16.266 1.471 -14.862 1.00 44.12 C ATOM 0 H LEU A 19 -13.090 0.527 -18.378 1.00 24.11 H new ATOM 0 HA LEU A 19 -15.724 -0.639 -18.548 1.00 64.52 H new ATOM 0 HB2 LEU A 19 -14.816 -0.213 -16.382 1.00 14.20 H new ATOM 0 HB3 LEU A 19 -14.363 1.426 -16.806 1.00 14.20 H new ATOM 0 HG LEU A 19 -16.704 2.112 -16.848 1.00 72.31 H new ATOM 0 HD11 LEU A 19 -18.483 0.565 -16.135 1.00 33.43 H new ATOM 0 HD12 LEU A 19 -17.700 0.023 -17.638 1.00 33.43 H new ATOM 0 HD13 LEU A 19 -17.302 -0.766 -16.094 1.00 33.43 H new ATOM 0 HD21 LEU A 19 -17.207 1.838 -14.451 1.00 44.12 H new ATOM 0 HD22 LEU A 19 -15.976 0.557 -14.344 1.00 44.12 H new ATOM 0 HD23 LEU A 19 -15.492 2.226 -14.726 1.00 44.12 H new ATOM 309 N LYS A 20 -15.527 2.633 -18.964 1.00 33.45 N ATOM 310 CA LYS A 20 -16.137 3.765 -19.651 1.00 3.24 C ATOM 311 C LYS A 20 -15.602 3.890 -21.074 1.00 5.35 C ATOM 312 O LYS A 20 -16.241 4.490 -21.937 1.00 23.20 O ATOM 313 CB LYS A 20 -15.871 5.060 -18.879 1.00 23.43 C ATOM 314 CG LYS A 20 -14.395 5.355 -18.676 1.00 64.41 C ATOM 315 CD LYS A 20 -13.918 6.470 -19.592 1.00 21.52 C ATOM 316 CE LYS A 20 -12.499 6.221 -20.080 1.00 50.42 C ATOM 317 NZ LYS A 20 -11.542 6.067 -18.950 1.00 33.24 N ATOM 0 H LYS A 20 -14.808 2.888 -18.287 1.00 33.45 H new ATOM 0 HA LYS A 20 -17.212 3.592 -19.700 1.00 3.24 H new ATOM 0 HB2 LYS A 20 -16.329 5.892 -19.413 1.00 23.43 H new ATOM 0 HB3 LYS A 20 -16.358 4.999 -17.906 1.00 23.43 H new ATOM 0 HG2 LYS A 20 -14.219 5.635 -17.638 1.00 64.41 H new ATOM 0 HG3 LYS A 20 -13.813 4.453 -18.866 1.00 64.41 H new ATOM 0 HD2 LYS A 20 -14.589 6.552 -20.447 1.00 21.52 H new ATOM 0 HD3 LYS A 20 -13.960 7.421 -19.062 1.00 21.52 H new ATOM 0 HE2 LYS A 20 -12.480 5.323 -20.697 1.00 50.42 H new ATOM 0 HE3 LYS A 20 -12.182 7.050 -20.713 1.00 50.42 H new ATOM 0 HZ1 LYS A 20 -10.568 6.154 -19.305 1.00 33.24 H new ATOM 0 HZ2 LYS A 20 -11.719 6.808 -18.242 1.00 33.24 H new ATOM 0 HZ3 LYS A 20 -11.669 5.132 -18.512 1.00 33.24 H new ATOM 331 N GLY A 21 -14.425 3.319 -21.311 1.00 64.20 N ATOM 332 CA GLY A 21 -13.825 3.377 -22.631 1.00 63.21 C ATOM 333 C GLY A 21 -14.362 2.306 -23.560 1.00 12.21 C ATOM 334 O GLY A 21 -15.390 1.690 -23.279 1.00 13.52 O ATOM 0 H GLY A 21 -13.876 2.817 -20.613 1.00 64.20 H new ATOM 0 HA2 GLY A 21 -14.010 4.358 -23.068 1.00 63.21 H new ATOM 0 HA3 GLY A 21 -12.744 3.267 -22.541 1.00 63.21 H new TER 338 GLY A 21