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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 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 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 1.187 -0.797 0.064 1.00 51.03 N ATOM 2 CA GLY A 1 1.861 -0.694 -1.217 1.00 61.23 C ATOM 3 C GLY A 1 2.131 0.743 -1.617 1.00 24.15 C ATOM 4 O GLY A 1 1.813 1.154 -2.733 1.00 2.23 O ATOM 0 H1 GLY A 1 1.025 -1.799 0.292 1.00 51.03 H new ATOM 0 H2 GLY A 1 1.778 -0.365 0.803 1.00 51.03 H new ATOM 0 H3 GLY A 1 0.274 -0.301 0.017 1.00 51.03 H new ATOM 0 HA2 GLY A 1 2.804 -1.239 -1.173 1.00 61.23 H new ATOM 0 HA3 GLY A 1 1.252 -1.173 -1.984 1.00 61.23 H new ATOM 8 N ILE A 2 2.718 1.509 -0.703 1.00 23.31 N ATOM 9 CA ILE A 2 3.030 2.908 -0.966 1.00 23.01 C ATOM 10 C ILE A 2 3.762 3.068 -2.294 1.00 72.13 C ATOM 11 O ILE A 2 3.179 3.501 -3.288 1.00 74.13 O ATOM 12 CB ILE A 2 3.892 3.514 0.158 1.00 71.51 C ATOM 13 CG1 ILE A 2 4.787 2.439 0.779 1.00 43.42 C ATOM 14 CG2 ILE A 2 3.007 4.151 1.219 1.00 41.35 C ATOM 15 CD1 ILE A 2 6.211 2.897 1.006 1.00 62.21 C ATOM 0 H ILE A 2 2.987 1.184 0.226 1.00 23.31 H new ATOM 0 HA ILE A 2 2.080 3.440 -1.011 1.00 23.01 H new ATOM 0 HB ILE A 2 4.529 4.289 -0.269 1.00 71.51 H new ATOM 0 HG12 ILE A 2 4.358 2.126 1.731 1.00 43.42 H new ATOM 0 HG13 ILE A 2 4.794 1.564 0.129 1.00 43.42 H new ATOM 0 HG21 ILE A 2 3.630 4.575 2.006 1.00 41.35 H new ATOM 0 HG22 ILE A 2 2.407 4.941 0.766 1.00 41.35 H new ATOM 0 HG23 ILE A 2 2.348 3.394 1.645 1.00 41.35 H new ATOM 0 HD11 ILE A 2 6.788 2.085 1.448 1.00 62.21 H new ATOM 0 HD12 ILE A 2 6.657 3.183 0.054 1.00 62.21 H new ATOM 0 HD13 ILE A 2 6.215 3.754 1.680 1.00 62.21 H new ATOM 27 N PHE A 3 5.043 2.714 -2.305 1.00 34.35 N ATOM 28 CA PHE A 3 5.855 2.817 -3.511 1.00 73.23 C ATOM 29 C PHE A 3 5.274 1.961 -4.633 1.00 34.42 C ATOM 30 O PHE A 3 5.634 2.118 -5.799 1.00 41.21 O ATOM 31 CB PHE A 3 7.295 2.388 -3.221 1.00 15.11 C ATOM 32 CG PHE A 3 8.124 3.466 -2.583 1.00 34.34 C ATOM 33 CD1 PHE A 3 8.193 4.730 -3.146 1.00 30.23 C ATOM 34 CD2 PHE A 3 8.833 3.215 -1.419 1.00 61.33 C ATOM 35 CE1 PHE A 3 8.956 5.723 -2.561 1.00 32.23 C ATOM 36 CE2 PHE A 3 9.597 4.204 -0.830 1.00 4.05 C ATOM 37 CZ PHE A 3 9.658 5.460 -1.401 1.00 32.04 C ATOM 0 H PHE A 3 5.541 2.353 -1.491 1.00 34.35 H new ATOM 0 HA PHE A 3 5.851 3.858 -3.833 1.00 73.23 H new ATOM 0 HB2 PHE A 3 7.281 1.516 -2.567 1.00 15.11 H new ATOM 0 HB3 PHE A 3 7.769 2.080 -4.153 1.00 15.11 H new ATOM 0 HD1 PHE A 3 7.645 4.942 -4.052 1.00 30.23 H new ATOM 0 HD2 PHE A 3 8.788 2.235 -0.967 1.00 61.33 H new ATOM 0 HE1 PHE A 3 9.003 6.704 -3.011 1.00 32.23 H new ATOM 0 HE2 PHE A 3 10.146 3.995 0.076 1.00 4.05 H new ATOM 0 HZ PHE A 3 10.253 6.235 -0.941 1.00 32.04 H new ATOM 47 N SER A 4 4.372 1.053 -4.270 1.00 43.41 N ATOM 48 CA SER A 4 3.744 0.169 -5.244 1.00 71.50 C ATOM 49 C SER A 4 2.431 0.760 -5.748 1.00 11.22 C ATOM 50 O SER A 4 1.741 0.160 -6.572 1.00 61.21 O ATOM 51 CB SER A 4 3.492 -1.208 -4.626 1.00 20.11 C ATOM 52 OG SER A 4 4.679 -1.739 -4.062 1.00 51.04 O ATOM 0 H SER A 4 4.061 0.911 -3.309 1.00 43.41 H new ATOM 0 HA SER A 4 4.422 0.062 -6.090 1.00 71.50 H new ATOM 0 HB2 SER A 4 2.724 -1.130 -3.857 1.00 20.11 H new ATOM 0 HB3 SER A 4 3.112 -1.888 -5.388 1.00 20.11 H new ATOM 0 HG SER A 4 4.491 -2.618 -3.672 1.00 51.04 H new ATOM 58 N LYS A 5 2.091 1.943 -5.246 1.00 22.41 N ATOM 59 CA LYS A 5 0.862 2.619 -5.644 1.00 63.21 C ATOM 60 C LYS A 5 0.720 2.639 -7.163 1.00 34.34 C ATOM 61 O LYS A 5 -0.355 2.364 -7.699 1.00 43.41 O ATOM 62 CB LYS A 5 0.844 4.049 -5.101 1.00 11.33 C ATOM 63 CG LYS A 5 2.066 4.863 -5.489 1.00 2.22 C ATOM 64 CD LYS A 5 1.838 5.630 -6.781 1.00 2.14 C ATOM 65 CE LYS A 5 2.108 7.116 -6.601 1.00 52.34 C ATOM 66 NZ LYS A 5 3.490 7.483 -7.017 1.00 10.31 N ATOM 0 H LYS A 5 2.650 2.453 -4.562 1.00 22.41 H new ATOM 0 HA LYS A 5 0.021 2.067 -5.225 1.00 63.21 H new ATOM 0 HB2 LYS A 5 -0.050 4.556 -5.465 1.00 11.33 H new ATOM 0 HB3 LYS A 5 0.771 4.015 -4.014 1.00 11.33 H new ATOM 0 HG2 LYS A 5 2.308 5.562 -4.688 1.00 2.22 H new ATOM 0 HG3 LYS A 5 2.924 4.201 -5.605 1.00 2.22 H new ATOM 0 HD2 LYS A 5 2.488 5.233 -7.561 1.00 2.14 H new ATOM 0 HD3 LYS A 5 0.811 5.483 -7.116 1.00 2.14 H new ATOM 0 HE2 LYS A 5 1.388 7.689 -7.186 1.00 52.34 H new ATOM 0 HE3 LYS A 5 1.959 7.388 -5.556 1.00 52.34 H new ATOM 0 HZ1 LYS A 5 3.635 8.504 -6.879 1.00 10.31 H new ATOM 0 HZ2 LYS A 5 4.177 6.955 -6.442 1.00 10.31 H new ATOM 0 HZ3 LYS A 5 3.625 7.247 -8.021 1.00 10.31 H new ATOM 80 N LEU A 6 1.809 2.963 -7.850 1.00 51.32 N ATOM 81 CA LEU A 6 1.806 3.017 -9.308 1.00 54.21 C ATOM 82 C LEU A 6 1.777 1.614 -9.905 1.00 20.22 C ATOM 83 O LEU A 6 1.294 1.412 -11.018 1.00 75.23 O ATOM 84 CB LEU A 6 3.036 3.773 -9.813 1.00 13.52 C ATOM 85 CG LEU A 6 4.390 3.237 -9.349 1.00 64.13 C ATOM 86 CD1 LEU A 6 4.801 2.032 -10.182 1.00 52.52 C ATOM 87 CD2 LEU A 6 5.450 4.326 -9.426 1.00 0.54 C ATOM 0 H LEU A 6 2.706 3.192 -7.421 1.00 51.32 H new ATOM 0 HA LEU A 6 0.907 3.545 -9.625 1.00 54.21 H new ATOM 0 HB2 LEU A 6 3.019 3.767 -10.903 1.00 13.52 H new ATOM 0 HB3 LEU A 6 2.953 4.813 -9.499 1.00 13.52 H new ATOM 0 HG LEU A 6 4.297 2.921 -8.310 1.00 64.13 H new ATOM 0 HD11 LEU A 6 5.767 1.664 -9.837 1.00 52.52 H new ATOM 0 HD12 LEU A 6 4.054 1.245 -10.076 1.00 52.52 H new ATOM 0 HD13 LEU A 6 4.876 2.323 -11.230 1.00 52.52 H new ATOM 0 HD21 LEU A 6 6.407 3.926 -9.092 1.00 0.54 H new ATOM 0 HD22 LEU A 6 5.541 4.673 -10.455 1.00 0.54 H new ATOM 0 HD23 LEU A 6 5.162 5.160 -8.786 1.00 0.54 H new ATOM 99 N ALA A 7 2.296 0.647 -9.155 1.00 64.03 N ATOM 100 CA ALA A 7 2.327 -0.738 -9.608 1.00 75.13 C ATOM 101 C ALA A 7 0.943 -1.373 -9.526 1.00 15.04 C ATOM 102 O ALA A 7 0.537 -2.119 -10.416 1.00 30.35 O ATOM 103 CB ALA A 7 3.327 -1.540 -8.789 1.00 11.22 C ATOM 0 H ALA A 7 2.701 0.798 -8.231 1.00 64.03 H new ATOM 0 HA ALA A 7 2.641 -0.746 -10.652 1.00 75.13 H new ATOM 0 HB1 ALA A 7 3.339 -2.572 -9.139 1.00 11.22 H new ATOM 0 HB2 ALA A 7 4.321 -1.107 -8.902 1.00 11.22 H new ATOM 0 HB3 ALA A 7 3.039 -1.516 -7.738 1.00 11.22 H new ATOM 109 N GLY A 8 0.221 -1.072 -8.450 1.00 4.23 N ATOM 110 CA GLY A 8 -1.109 -1.622 -8.271 1.00 33.44 C ATOM 111 C GLY A 8 -2.163 -0.858 -9.048 1.00 5.24 C ATOM 112 O GLY A 8 -3.248 -1.375 -9.311 1.00 72.15 O ATOM 0 H GLY A 8 0.535 -0.457 -7.699 1.00 4.23 H new ATOM 0 HA2 GLY A 8 -1.113 -2.665 -8.588 1.00 33.44 H new ATOM 0 HA3 GLY A 8 -1.364 -1.610 -7.211 1.00 33.44 H new ATOM 116 N LYS A 9 -1.844 0.379 -9.414 1.00 65.22 N ATOM 117 CA LYS A 9 -2.770 1.218 -10.165 1.00 62.33 C ATOM 118 C LYS A 9 -2.750 0.859 -11.648 1.00 24.44 C ATOM 119 O LYS A 9 -3.795 0.782 -12.293 1.00 33.10 O ATOM 120 CB LYS A 9 -2.415 2.695 -9.983 1.00 0.13 C ATOM 121 CG LYS A 9 -3.102 3.613 -10.979 1.00 12.35 C ATOM 122 CD LYS A 9 -4.577 3.277 -11.122 1.00 30.34 C ATOM 123 CE LYS A 9 -5.442 4.527 -11.069 1.00 23.10 C ATOM 124 NZ LYS A 9 -6.801 4.239 -10.532 1.00 43.24 N ATOM 0 H LYS A 9 -0.950 0.823 -9.202 1.00 65.22 H new ATOM 0 HA LYS A 9 -3.774 1.042 -9.780 1.00 62.33 H new ATOM 0 HB2 LYS A 9 -2.684 3.003 -8.973 1.00 0.13 H new ATOM 0 HB3 LYS A 9 -1.336 2.815 -10.076 1.00 0.13 H new ATOM 0 HG2 LYS A 9 -2.993 4.648 -10.656 1.00 12.35 H new ATOM 0 HG3 LYS A 9 -2.613 3.529 -11.950 1.00 12.35 H new ATOM 0 HD2 LYS A 9 -4.743 2.758 -12.066 1.00 30.34 H new ATOM 0 HD3 LYS A 9 -4.874 2.594 -10.326 1.00 30.34 H new ATOM 0 HE2 LYS A 9 -4.957 5.278 -10.446 1.00 23.10 H new ATOM 0 HE3 LYS A 9 -5.529 4.951 -12.069 1.00 23.10 H new ATOM 0 HZ1 LYS A 9 -7.359 5.116 -10.512 1.00 43.24 H new ATOM 0 HZ2 LYS A 9 -7.274 3.541 -11.141 1.00 43.24 H new ATOM 0 HZ3 LYS A 9 -6.720 3.858 -9.568 1.00 43.24 H new ATOM 138 N LYS A 10 -1.553 0.638 -12.182 1.00 33.21 N ATOM 139 CA LYS A 10 -1.396 0.284 -13.588 1.00 31.34 C ATOM 140 C LYS A 10 -2.109 -1.028 -13.901 1.00 52.33 C ATOM 141 O LYS A 10 -2.902 -1.104 -14.840 1.00 70.54 O ATOM 142 CB LYS A 10 0.088 0.167 -13.943 1.00 11.24 C ATOM 143 CG LYS A 10 0.344 -0.050 -15.424 1.00 33.21 C ATOM 144 CD LYS A 10 0.114 -1.498 -15.823 1.00 25.43 C ATOM 145 CE LYS A 10 0.872 -1.853 -17.093 1.00 73.32 C ATOM 146 NZ LYS A 10 0.081 -2.753 -17.977 1.00 74.14 N ATOM 0 H LYS A 10 -0.677 0.698 -11.662 1.00 33.21 H new ATOM 0 HA LYS A 10 -1.846 1.075 -14.189 1.00 31.34 H new ATOM 0 HB2 LYS A 10 0.602 1.073 -13.623 1.00 11.24 H new ATOM 0 HB3 LYS A 10 0.523 -0.661 -13.383 1.00 11.24 H new ATOM 0 HG2 LYS A 10 -0.312 0.597 -16.006 1.00 33.21 H new ATOM 0 HG3 LYS A 10 1.368 0.236 -15.663 1.00 33.21 H new ATOM 0 HD2 LYS A 10 0.431 -2.155 -15.013 1.00 25.43 H new ATOM 0 HD3 LYS A 10 -0.952 -1.670 -15.974 1.00 25.43 H new ATOM 0 HE2 LYS A 10 1.122 -0.940 -17.634 1.00 73.32 H new ATOM 0 HE3 LYS A 10 1.813 -2.336 -16.831 1.00 73.32 H new ATOM 0 HZ1 LYS A 10 0.632 -2.972 -18.832 1.00 74.14 H new ATOM 0 HZ2 LYS A 10 -0.136 -3.635 -17.470 1.00 74.14 H new ATOM 0 HZ3 LYS A 10 -0.806 -2.282 -18.248 1.00 74.14 H new ATOM 160 N ILE A 11 -1.823 -2.056 -13.109 1.00 52.54 N ATOM 161 CA ILE A 11 -2.440 -3.362 -13.302 1.00 25.31 C ATOM 162 C ILE A 11 -3.961 -3.257 -13.306 1.00 62.32 C ATOM 163 O ILE A 11 -4.646 -4.033 -13.972 1.00 72.44 O ATOM 164 CB ILE A 11 -2.008 -4.355 -12.207 1.00 22.33 C ATOM 165 CG1 ILE A 11 -2.533 -3.904 -10.843 1.00 14.25 C ATOM 166 CG2 ILE A 11 -0.492 -4.488 -12.179 1.00 54.42 C ATOM 167 CD1 ILE A 11 -3.748 -4.676 -10.377 1.00 51.13 C ATOM 0 H ILE A 11 -1.168 -2.010 -12.328 1.00 52.54 H new ATOM 0 HA ILE A 11 -2.102 -3.731 -14.270 1.00 25.31 H new ATOM 0 HB ILE A 11 -2.435 -5.332 -12.435 1.00 22.33 H new ATOM 0 HG12 ILE A 11 -1.739 -4.011 -10.104 1.00 14.25 H new ATOM 0 HG13 ILE A 11 -2.783 -2.844 -10.891 1.00 14.25 H new ATOM 0 HG21 ILE A 11 -0.203 -5.193 -11.400 1.00 54.42 H new ATOM 0 HG22 ILE A 11 -0.141 -4.850 -13.145 1.00 54.42 H new ATOM 0 HG23 ILE A 11 -0.045 -3.516 -11.972 1.00 54.42 H new ATOM 0 HD11 ILE A 11 -4.065 -4.302 -9.403 1.00 51.13 H new ATOM 0 HD12 ILE A 11 -4.558 -4.549 -11.096 1.00 51.13 H new ATOM 0 HD13 ILE A 11 -3.498 -5.734 -10.296 1.00 51.13 H new ATOM 179 N LYS A 12 -4.484 -2.291 -12.559 1.00 43.23 N ATOM 180 CA LYS A 12 -5.924 -2.080 -12.478 1.00 72.32 C ATOM 181 C LYS A 12 -6.384 -1.061 -13.516 1.00 34.14 C ATOM 182 O LYS A 12 -7.580 -0.914 -13.767 1.00 3.34 O ATOM 183 CB LYS A 12 -6.313 -1.607 -11.076 1.00 31.53 C ATOM 184 CG LYS A 12 -7.796 -1.748 -10.776 1.00 5.22 C ATOM 185 CD LYS A 12 -8.550 -0.465 -11.082 1.00 12.03 C ATOM 186 CE LYS A 12 -8.947 0.265 -9.808 1.00 13.40 C ATOM 187 NZ LYS A 12 -10.149 -0.342 -9.172 1.00 23.33 N ATOM 0 H LYS A 12 -3.931 -1.641 -12.000 1.00 43.23 H new ATOM 0 HA LYS A 12 -6.417 -3.030 -12.684 1.00 72.32 H new ATOM 0 HB2 LYS A 12 -5.746 -2.176 -10.339 1.00 31.53 H new ATOM 0 HB3 LYS A 12 -6.025 -0.562 -10.961 1.00 31.53 H new ATOM 0 HG2 LYS A 12 -8.212 -2.565 -11.366 1.00 5.22 H new ATOM 0 HG3 LYS A 12 -7.933 -2.010 -9.727 1.00 5.22 H new ATOM 0 HD2 LYS A 12 -7.928 0.186 -11.697 1.00 12.03 H new ATOM 0 HD3 LYS A 12 -9.442 -0.696 -11.664 1.00 12.03 H new ATOM 0 HE2 LYS A 12 -8.115 0.246 -9.104 1.00 13.40 H new ATOM 0 HE3 LYS A 12 -9.147 1.312 -10.037 1.00 13.40 H new ATOM 0 HZ1 LYS A 12 -10.387 0.184 -8.307 1.00 23.33 H new ATOM 0 HZ2 LYS A 12 -10.950 -0.301 -9.834 1.00 23.33 H new ATOM 0 HZ3 LYS A 12 -9.950 -1.334 -8.930 1.00 23.33 H new ATOM 201 N ASN A 13 -5.427 -0.361 -14.116 1.00 33.10 N ATOM 202 CA ASN A 13 -5.735 0.644 -15.127 1.00 72.32 C ATOM 203 C ASN A 13 -6.609 0.055 -16.231 1.00 23.02 C ATOM 204 O ASN A 13 -7.326 0.779 -16.923 1.00 32.24 O ATOM 205 CB ASN A 13 -4.445 1.205 -15.728 1.00 3.24 C ATOM 206 CG ASN A 13 -4.704 2.348 -16.690 1.00 73.45 C ATOM 207 OD1 ASN A 13 -5.259 3.379 -16.312 1.00 13.20 O ATOM 208 ND2 ASN A 13 -4.303 2.168 -17.944 1.00 21.25 N ATOM 0 H ASN A 13 -4.432 -0.471 -13.920 1.00 33.10 H new ATOM 0 HA ASN A 13 -6.285 1.452 -14.644 1.00 72.32 H new ATOM 0 HB2 ASN A 13 -3.794 1.550 -14.925 1.00 3.24 H new ATOM 0 HB3 ASN A 13 -3.914 0.408 -16.249 1.00 3.24 H new ATOM 0 HD21 ASN A 13 -4.452 2.901 -18.637 1.00 21.25 H new ATOM 0 HD22 ASN A 13 -3.847 1.296 -18.213 1.00 21.25 H new ATOM 215 N LEU A 14 -6.543 -1.262 -16.390 1.00 35.32 N ATOM 216 CA LEU A 14 -7.329 -1.950 -17.409 1.00 1.30 C ATOM 217 C LEU A 14 -8.821 -1.843 -17.111 1.00 0.51 C ATOM 218 O LEU A 14 -9.638 -1.694 -18.021 1.00 3.01 O ATOM 219 CB LEU A 14 -6.918 -3.421 -17.491 1.00 50.13 C ATOM 220 CG LEU A 14 -7.639 -4.261 -18.546 1.00 34.24 C ATOM 221 CD1 LEU A 14 -7.717 -3.510 -19.866 1.00 3.03 C ATOM 222 CD2 LEU A 14 -6.939 -5.599 -18.732 1.00 33.44 C ATOM 0 H LEU A 14 -5.954 -1.875 -15.827 1.00 35.32 H new ATOM 0 HA LEU A 14 -7.134 -1.470 -18.368 1.00 1.30 H new ATOM 0 HB2 LEU A 14 -5.847 -3.468 -17.688 1.00 50.13 H new ATOM 0 HB3 LEU A 14 -7.083 -3.879 -16.516 1.00 50.13 H new ATOM 0 HG LEU A 14 -8.655 -4.450 -18.199 1.00 34.24 H new ATOM 0 HD11 LEU A 14 -8.233 -4.124 -20.604 1.00 3.03 H new ATOM 0 HD12 LEU A 14 -8.264 -2.578 -19.723 1.00 3.03 H new ATOM 0 HD13 LEU A 14 -6.710 -3.289 -20.219 1.00 3.03 H new ATOM 0 HD21 LEU A 14 -7.466 -6.183 -19.486 1.00 33.44 H new ATOM 0 HD22 LEU A 14 -5.912 -5.430 -19.056 1.00 33.44 H new ATOM 0 HD23 LEU A 14 -6.937 -6.143 -17.787 1.00 33.44 H new ATOM 234 N LEU A 15 -9.170 -1.917 -15.831 1.00 50.43 N ATOM 235 CA LEU A 15 -10.564 -1.826 -15.412 1.00 54.41 C ATOM 236 C LEU A 15 -11.149 -0.460 -15.758 1.00 50.04 C ATOM 237 O LEU A 15 -12.220 -0.367 -16.359 1.00 11.33 O ATOM 238 CB LEU A 15 -10.683 -2.077 -13.908 1.00 23.21 C ATOM 239 CG LEU A 15 -12.076 -2.446 -13.397 1.00 2.24 C ATOM 240 CD1 LEU A 15 -12.593 -3.687 -14.106 1.00 34.52 C ATOM 241 CD2 LEU A 15 -12.051 -2.661 -11.890 1.00 54.23 C ATOM 0 H LEU A 15 -8.507 -2.040 -15.066 1.00 50.43 H new ATOM 0 HA LEU A 15 -11.128 -2.589 -15.948 1.00 54.41 H new ATOM 0 HB2 LEU A 15 -9.995 -2.878 -13.638 1.00 23.21 H new ATOM 0 HB3 LEU A 15 -10.351 -1.181 -13.383 1.00 23.21 H new ATOM 0 HG LEU A 15 -12.753 -1.620 -13.615 1.00 2.24 H new ATOM 0 HD11 LEU A 15 -13.585 -3.934 -13.729 1.00 34.52 H new ATOM 0 HD12 LEU A 15 -12.649 -3.497 -15.178 1.00 34.52 H new ATOM 0 HD13 LEU A 15 -11.916 -4.521 -13.920 1.00 34.52 H new ATOM 0 HD21 LEU A 15 -13.051 -2.923 -11.543 1.00 54.23 H new ATOM 0 HD22 LEU A 15 -11.360 -3.469 -11.649 1.00 54.23 H new ATOM 0 HD23 LEU A 15 -11.724 -1.745 -11.397 1.00 54.23 H new ATOM 253 N ILE A 16 -10.438 0.596 -15.378 1.00 21.00 N ATOM 254 CA ILE A 16 -10.885 1.956 -15.651 1.00 41.14 C ATOM 255 C ILE A 16 -10.861 2.252 -17.147 1.00 51.40 C ATOM 256 O ILE A 16 -11.558 3.148 -17.624 1.00 1.10 O ATOM 257 CB ILE A 16 -10.012 2.993 -14.920 1.00 52.21 C ATOM 258 CG1 ILE A 16 -10.452 4.412 -15.287 1.00 71.14 C ATOM 259 CG2 ILE A 16 -8.544 2.784 -15.259 1.00 70.52 C ATOM 260 CD1 ILE A 16 -11.936 4.649 -15.113 1.00 61.30 C ATOM 0 H ILE A 16 -9.550 0.536 -14.880 1.00 21.00 H new ATOM 0 HA ILE A 16 -11.909 2.032 -15.284 1.00 41.14 H new ATOM 0 HB ILE A 16 -10.139 2.859 -13.846 1.00 52.21 H new ATOM 0 HG12 ILE A 16 -9.904 5.124 -14.671 1.00 71.14 H new ATOM 0 HG13 ILE A 16 -10.180 4.611 -16.323 1.00 71.14 H new ATOM 0 HG21 ILE A 16 -7.940 3.525 -14.735 1.00 70.52 H new ATOM 0 HG22 ILE A 16 -8.239 1.784 -14.952 1.00 70.52 H new ATOM 0 HG23 ILE A 16 -8.400 2.894 -16.334 1.00 70.52 H new ATOM 0 HD11 ILE A 16 -12.176 5.675 -15.391 1.00 61.30 H new ATOM 0 HD12 ILE A 16 -12.492 3.961 -15.750 1.00 61.30 H new ATOM 0 HD13 ILE A 16 -12.212 4.482 -14.072 1.00 61.30 H new ATOM 272 N SER A 17 -10.056 1.493 -17.883 1.00 23.35 N ATOM 273 CA SER A 17 -9.939 1.675 -19.325 1.00 34.24 C ATOM 274 C SER A 17 -11.036 0.910 -20.059 1.00 72.20 C ATOM 275 O SER A 17 -11.563 1.374 -21.069 1.00 41.32 O ATOM 276 CB SER A 17 -8.565 1.209 -19.810 1.00 10.45 C ATOM 277 OG SER A 17 -7.619 2.263 -19.749 1.00 73.04 O ATOM 0 H SER A 17 -9.475 0.745 -17.504 1.00 23.35 H new ATOM 0 HA SER A 17 -10.052 2.737 -19.543 1.00 34.24 H new ATOM 0 HB2 SER A 17 -8.224 0.374 -19.198 1.00 10.45 H new ATOM 0 HB3 SER A 17 -8.642 0.844 -20.834 1.00 10.45 H new ATOM 0 HG SER A 17 -6.749 1.940 -20.062 1.00 73.04 H new ATOM 283 N GLY A 18 -11.375 -0.268 -19.543 1.00 15.44 N ATOM 284 CA GLY A 18 -12.407 -1.079 -20.161 1.00 73.31 C ATOM 285 C GLY A 18 -13.782 -0.809 -19.582 1.00 70.25 C ATOM 286 O GLY A 18 -14.781 -1.355 -20.054 1.00 44.00 O ATOM 0 H GLY A 18 -10.953 -0.675 -18.708 1.00 15.44 H new ATOM 0 HA2 GLY A 18 -12.423 -0.885 -21.233 1.00 73.31 H new ATOM 0 HA3 GLY A 18 -12.162 -2.133 -20.031 1.00 73.31 H new ATOM 290 N LEU A 19 -13.835 0.033 -18.557 1.00 53.50 N ATOM 291 CA LEU A 19 -15.098 0.374 -17.911 1.00 53.14 C ATOM 292 C LEU A 19 -15.815 1.486 -18.670 1.00 54.04 C ATOM 293 O LEU A 19 -16.795 1.241 -19.374 1.00 74.50 O ATOM 294 CB LEU A 19 -14.854 0.804 -16.464 1.00 11.41 C ATOM 295 CG LEU A 19 -16.051 1.416 -15.735 1.00 3.24 C ATOM 296 CD1 LEU A 19 -17.248 0.480 -15.795 1.00 1.33 C ATOM 297 CD2 LEU A 19 -15.690 1.732 -14.290 1.00 54.13 C ATOM 0 H LEU A 19 -13.018 0.493 -18.155 1.00 53.50 H new ATOM 0 HA LEU A 19 -15.732 -0.513 -17.918 1.00 53.14 H new ATOM 0 HB2 LEU A 19 -14.516 -0.065 -15.900 1.00 11.41 H new ATOM 0 HB3 LEU A 19 -14.039 1.528 -16.454 1.00 11.41 H new ATOM 0 HG LEU A 19 -16.319 2.347 -16.234 1.00 3.24 H new ATOM 0 HD11 LEU A 19 -18.090 0.932 -15.271 1.00 1.33 H new ATOM 0 HD12 LEU A 19 -17.520 0.304 -16.836 1.00 1.33 H new ATOM 0 HD13 LEU A 19 -16.993 -0.468 -15.321 1.00 1.33 H new ATOM 0 HD21 LEU A 19 -16.553 2.167 -13.786 1.00 54.13 H new ATOM 0 HD22 LEU A 19 -15.396 0.815 -13.780 1.00 54.13 H new ATOM 0 HD23 LEU A 19 -14.862 2.441 -14.268 1.00 54.13 H new ATOM 309 N LYS A 20 -15.319 2.710 -18.525 1.00 32.13 N ATOM 310 CA LYS A 20 -15.909 3.860 -19.199 1.00 12.54 C ATOM 311 C LYS A 20 -15.821 3.708 -20.714 1.00 23.13 C ATOM 312 O LYS A 20 -16.677 4.200 -21.448 1.00 23.32 O ATOM 313 CB LYS A 20 -15.206 5.148 -18.763 1.00 52.22 C ATOM 314 CG LYS A 20 -15.613 6.367 -19.573 1.00 70.02 C ATOM 315 CD LYS A 20 -14.479 6.850 -20.462 1.00 70.30 C ATOM 316 CE LYS A 20 -14.484 8.364 -20.599 1.00 54.51 C ATOM 317 NZ LYS A 20 -13.396 8.997 -19.804 1.00 43.23 N ATOM 0 H LYS A 20 -14.509 2.931 -17.946 1.00 32.13 H new ATOM 0 HA LYS A 20 -16.961 3.914 -18.918 1.00 12.54 H new ATOM 0 HB2 LYS A 20 -15.423 5.332 -17.711 1.00 52.22 H new ATOM 0 HB3 LYS A 20 -14.128 5.010 -18.847 1.00 52.22 H new ATOM 0 HG2 LYS A 20 -16.480 6.124 -20.187 1.00 70.02 H new ATOM 0 HG3 LYS A 20 -15.915 7.169 -18.899 1.00 70.02 H new ATOM 0 HD2 LYS A 20 -13.525 6.525 -20.046 1.00 70.30 H new ATOM 0 HD3 LYS A 20 -14.569 6.394 -21.448 1.00 70.30 H new ATOM 0 HE2 LYS A 20 -14.371 8.634 -21.649 1.00 54.51 H new ATOM 0 HE3 LYS A 20 -15.447 8.755 -20.272 1.00 54.51 H new ATOM 0 HZ1 LYS A 20 -13.434 10.029 -19.924 1.00 43.23 H new ATOM 0 HZ2 LYS A 20 -13.518 8.761 -18.799 1.00 43.23 H new ATOM 0 HZ3 LYS A 20 -12.475 8.644 -20.133 1.00 43.23 H new ATOM 331 N GLY A 21 -14.780 3.021 -21.175 1.00 43.43 N ATOM 332 CA GLY A 21 -14.600 2.815 -22.601 1.00 11.35 C ATOM 333 C GLY A 21 -15.664 1.914 -23.195 1.00 21.34 C ATOM 334 O GLY A 21 -16.106 0.960 -22.555 1.00 32.51 O ATOM 0 H GLY A 21 -14.058 2.604 -20.587 1.00 43.43 H new ATOM 0 HA2 GLY A 21 -14.619 3.779 -23.110 1.00 11.35 H new ATOM 0 HA3 GLY A 21 -13.617 2.379 -22.781 1.00 11.35 H new TER 338 GLY A 21