USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 488 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 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 28 MET CE :methyl -162:sc= 0 (180deg=0) USER MOD Set 1.3: A 46 SER OG : rot 4:sc= 0.626 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 162:sc= -0.0392 (180deg=-0.442) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -149:sc= 0.466 (180deg=-0.806!) USER MOD Single : A 20 LYS NZ :NH3+ 163:sc= -0.0179 (180deg=-0.36) USER MOD Single : A 21 LYS NZ :NH3+ 163:sc= -0.0629 (180deg=-0.445) USER MOD Single : A 30 SER OG : rot 39:sc= 0.037 USER MOD Single : A 32 THR OG1 : rot 40:sc= 1 USER MOD Single : A 33 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -100:sc= -0.67 (180deg=-2.87!) USER MOD Single : A 52 LYS NZ :NH3+ -164:sc= -0.0402 (180deg=-0.389) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.833 1.376 9.427 1.00 0.00 N ATOM 2 CA ALA A 1 0.157 2.235 8.444 1.00 0.00 C ATOM 3 C ALA A 1 -0.684 1.370 7.519 1.00 0.00 C ATOM 4 O ALA A 1 -0.173 0.535 6.773 1.00 0.00 O ATOM 5 CB ALA A 1 1.203 3.004 7.643 1.00 0.00 C ATOM 0 H1 ALA A 1 1.410 1.963 10.063 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.122 0.859 9.983 1.00 0.00 H new ATOM 0 H3 ALA A 1 1.446 0.697 8.932 1.00 0.00 H new ATOM 0 HA ALA A 1 -0.492 2.947 8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.705 3.642 6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.798 3.620 8.318 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.855 2.300 7.125 1.00 0.00 H new ATOM 13 N THR A 2 -1.989 1.566 7.563 1.00 0.00 N ATOM 14 CA THR A 2 -2.859 0.775 6.695 1.00 0.00 C ATOM 15 C THR A 2 -3.755 1.721 5.912 1.00 0.00 C ATOM 16 O THR A 2 -3.838 2.915 6.196 1.00 0.00 O ATOM 17 CB THR A 2 -3.709 -0.164 7.548 1.00 0.00 C ATOM 18 OG1 THR A 2 -4.424 0.594 8.512 1.00 0.00 O ATOM 19 CG2 THR A 2 -2.833 -1.190 8.263 1.00 0.00 C ATOM 0 H THR A 2 -2.463 2.239 8.165 1.00 0.00 H new ATOM 0 HA THR A 2 -2.262 0.180 6.004 1.00 0.00 H new ATOM 0 HB THR A 2 -4.404 -0.693 6.895 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.972 -0.006 9.060 1.00 0.00 H new ATOM 0 HG21 THR A 2 -3.460 -1.848 8.864 1.00 0.00 H new ATOM 0 HG22 THR A 2 -2.289 -1.781 7.526 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.123 -0.675 8.910 1.00 0.00 H new ATOM 27 N VAL A 3 -4.439 1.191 4.915 1.00 0.00 N ATOM 28 CA VAL A 3 -5.346 2.043 4.148 1.00 0.00 C ATOM 29 C VAL A 3 -6.584 1.237 3.784 1.00 0.00 C ATOM 30 O VAL A 3 -6.508 0.115 3.286 1.00 0.00 O ATOM 31 CB VAL A 3 -4.627 2.588 2.912 1.00 0.00 C ATOM 32 CG1 VAL A 3 -4.180 1.463 1.981 1.00 0.00 C ATOM 33 CG2 VAL A 3 -5.544 3.540 2.150 1.00 0.00 C ATOM 0 H VAL A 3 -4.393 0.215 4.621 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.660 2.902 4.741 1.00 0.00 H new ATOM 0 HB VAL A 3 -3.741 3.122 3.255 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.673 1.888 1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.497 0.801 2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.051 0.897 1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.023 3.922 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.441 3.007 1.836 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.824 4.372 2.797 1.00 0.00 H new ATOM 43 N LYS A 4 -7.747 1.800 4.058 1.00 0.00 N ATOM 44 CA LYS A 4 -8.971 1.047 3.797 1.00 0.00 C ATOM 45 C LYS A 4 -9.359 1.164 2.332 1.00 0.00 C ATOM 46 O LYS A 4 -8.740 1.885 1.551 1.00 0.00 O ATOM 47 CB LYS A 4 -10.083 1.586 4.692 1.00 0.00 C ATOM 48 CG LYS A 4 -11.257 0.611 4.725 1.00 0.00 C ATOM 49 CD LYS A 4 -12.412 1.152 5.568 1.00 0.00 C ATOM 50 CE LYS A 4 -12.043 1.269 7.046 1.00 0.00 C ATOM 51 NZ LYS A 4 -13.212 1.724 7.811 1.00 0.00 N ATOM 0 H LYS A 4 -7.875 2.735 4.445 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.808 -0.008 4.018 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.703 1.742 5.702 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -10.417 2.556 4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.604 0.423 3.709 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.926 -0.345 5.131 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -12.707 2.131 5.191 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -13.276 0.495 5.462 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -11.701 0.305 7.423 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -11.218 1.971 7.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -12.959 1.803 8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.519 2.653 7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.987 1.039 7.702 1.00 0.00 H new ATOM 65 N PHE A 5 -10.399 0.447 1.947 1.00 0.00 N ATOM 66 CA PHE A 5 -10.815 0.504 0.548 1.00 0.00 C ATOM 67 C PHE A 5 -12.216 -0.074 0.426 1.00 0.00 C ATOM 68 O PHE A 5 -12.406 -1.257 0.147 1.00 0.00 O ATOM 69 CB PHE A 5 -9.835 -0.304 -0.298 1.00 0.00 C ATOM 70 CG PHE A 5 -10.261 -0.315 -1.746 1.00 0.00 C ATOM 71 CD1 PHE A 5 -10.338 0.833 -2.432 1.00 0.00 C ATOM 72 CD2 PHE A 5 -10.559 -1.476 -2.347 1.00 0.00 C ATOM 73 CE1 PHE A 5 -10.717 0.821 -3.719 1.00 0.00 C ATOM 74 CE2 PHE A 5 -10.937 -1.488 -3.632 1.00 0.00 C ATOM 75 CZ PHE A 5 -11.017 -0.339 -4.318 1.00 0.00 C ATOM 0 H PHE A 5 -10.955 -0.159 2.550 1.00 0.00 H new ATOM 0 HA PHE A 5 -10.821 1.536 0.196 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.835 0.122 -0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -9.780 -1.326 0.077 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -10.095 1.768 -1.949 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -10.494 -2.402 -1.795 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -10.780 1.747 -4.272 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -11.177 -2.423 -4.115 1.00 0.00 H new ATOM 0 HZ PHE A 5 -11.323 -0.349 -5.354 1.00 0.00 H new ATOM 85 N LYS A 6 -13.218 0.759 0.639 1.00 0.00 N ATOM 86 CA LYS A 6 -14.583 0.248 0.553 1.00 0.00 C ATOM 87 C LYS A 6 -14.984 0.109 -0.906 1.00 0.00 C ATOM 88 O LYS A 6 -14.833 1.028 -1.711 1.00 0.00 O ATOM 89 CB LYS A 6 -15.536 1.211 1.257 1.00 0.00 C ATOM 90 CG LYS A 6 -15.165 1.375 2.728 1.00 0.00 C ATOM 91 CD LYS A 6 -16.152 2.314 3.415 1.00 0.00 C ATOM 92 CE LYS A 6 -15.796 2.484 4.889 1.00 0.00 C ATOM 93 NZ LYS A 6 -16.769 3.375 5.537 1.00 0.00 N ATOM 0 H LYS A 6 -13.127 1.750 0.863 1.00 0.00 H new ATOM 0 HA LYS A 6 -14.634 -0.728 1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.509 2.182 0.762 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -16.558 0.840 1.176 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -15.170 0.404 3.223 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.153 1.772 2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -16.144 3.285 2.919 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -17.163 1.918 3.323 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.791 1.514 5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.792 2.896 4.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.522 3.487 6.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -16.753 4.304 5.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -17.721 2.965 5.459 1.00 0.00 H new ATOM 107 N TYR A 7 -15.516 -1.047 -1.256 1.00 0.00 N ATOM 108 CA TYR A 7 -15.976 -1.224 -2.630 1.00 0.00 C ATOM 109 C TYR A 7 -17.397 -0.687 -2.732 1.00 0.00 C ATOM 110 O TYR A 7 -17.627 0.443 -3.160 1.00 0.00 O ATOM 111 CB TYR A 7 -15.903 -2.706 -2.995 1.00 0.00 C ATOM 112 CG TYR A 7 -16.332 -2.943 -4.426 1.00 0.00 C ATOM 113 CD1 TYR A 7 -15.709 -2.312 -5.432 1.00 0.00 C ATOM 114 CD2 TYR A 7 -17.326 -3.803 -4.691 1.00 0.00 C ATOM 115 CE1 TYR A 7 -16.081 -2.538 -6.699 1.00 0.00 C ATOM 116 CE2 TYR A 7 -17.696 -4.031 -5.959 1.00 0.00 C ATOM 117 CZ TYR A 7 -17.074 -3.398 -6.963 1.00 0.00 C ATOM 118 OH TYR A 7 -17.452 -3.632 -8.259 1.00 0.00 O ATOM 0 H TYR A 7 -15.640 -1.851 -0.640 1.00 0.00 H new ATOM 0 HA TYR A 7 -15.346 -0.677 -3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -14.884 -3.067 -2.854 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -16.541 -3.280 -2.322 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -14.906 -1.621 -5.221 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -17.829 -4.312 -3.882 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -15.580 -2.027 -7.508 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -18.496 -4.725 -6.172 1.00 0.00 H new ATOM 0 HH TYR A 7 -18.185 -4.282 -8.274 1.00 0.00 H new ATOM 128 N LYS A 8 -18.363 -1.486 -2.314 1.00 0.00 N ATOM 129 CA LYS A 8 -19.735 -0.983 -2.282 1.00 0.00 C ATOM 130 C LYS A 8 -20.204 -0.931 -0.837 1.00 0.00 C ATOM 131 O LYS A 8 -20.387 0.137 -0.254 1.00 0.00 O ATOM 132 CB LYS A 8 -20.635 -1.906 -3.099 1.00 0.00 C ATOM 133 CG LYS A 8 -20.185 -1.912 -4.558 1.00 0.00 C ATOM 134 CD LYS A 8 -21.012 -2.882 -5.402 1.00 0.00 C ATOM 135 CE LYS A 8 -22.479 -2.467 -5.485 1.00 0.00 C ATOM 136 NZ LYS A 8 -22.592 -1.115 -6.054 1.00 0.00 N ATOM 0 H LYS A 8 -18.238 -2.449 -2.002 1.00 0.00 H new ATOM 0 HA LYS A 8 -19.779 0.017 -2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -20.598 -2.917 -2.694 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -21.671 -1.573 -3.030 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -20.272 -0.906 -4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -19.132 -2.189 -4.613 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -20.593 -2.934 -6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.943 -3.883 -4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -23.031 -3.176 -6.101 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -22.928 -2.491 -4.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -23.564 -0.959 -6.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -22.359 -0.411 -5.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -21.932 -1.018 -6.852 1.00 0.00 H new ATOM 150 N GLY A 9 -20.397 -2.096 -0.246 1.00 0.00 N ATOM 151 CA GLY A 9 -20.823 -2.122 1.152 1.00 0.00 C ATOM 152 C GLY A 9 -19.915 -3.042 1.951 1.00 0.00 C ATOM 153 O GLY A 9 -20.322 -3.655 2.937 1.00 0.00 O ATOM 0 H GLY A 9 -20.273 -3.008 -0.686 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -20.794 -1.115 1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -21.855 -2.466 1.221 1.00 0.00 H new ATOM 157 N GLU A 10 -18.669 -3.149 1.523 1.00 0.00 N ATOM 158 CA GLU A 10 -17.743 -4.023 2.239 1.00 0.00 C ATOM 159 C GLU A 10 -16.487 -3.237 2.580 1.00 0.00 C ATOM 160 O GLU A 10 -16.415 -2.022 2.396 1.00 0.00 O ATOM 161 CB GLU A 10 -17.380 -5.218 1.361 1.00 0.00 C ATOM 162 CG GLU A 10 -18.611 -6.069 1.055 1.00 0.00 C ATOM 163 CD GLU A 10 -18.232 -7.270 0.202 1.00 0.00 C ATOM 164 OE1 GLU A 10 -17.580 -8.198 0.725 1.00 0.00 O ATOM 165 OE2 GLU A 10 -18.584 -7.290 -0.997 1.00 0.00 O ATOM 0 H GLU A 10 -18.281 -2.663 0.714 1.00 0.00 H new ATOM 0 HA GLU A 10 -18.211 -4.385 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -16.936 -4.867 0.429 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -16.628 -5.827 1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -19.067 -6.406 1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -19.356 -5.467 0.535 1.00 0.00 H new ATOM 172 N GLU A 11 -15.481 -3.930 3.080 1.00 0.00 N ATOM 173 CA GLU A 11 -14.242 -3.233 3.417 1.00 0.00 C ATOM 174 C GLU A 11 -13.064 -4.177 3.233 1.00 0.00 C ATOM 175 O GLU A 11 -13.101 -5.345 3.621 1.00 0.00 O ATOM 176 CB GLU A 11 -14.314 -2.718 4.854 1.00 0.00 C ATOM 177 CG GLU A 11 -14.526 -3.851 5.855 1.00 0.00 C ATOM 178 CD GLU A 11 -14.614 -3.298 7.268 1.00 0.00 C ATOM 179 OE1 GLU A 11 -15.728 -2.939 7.706 1.00 0.00 O ATOM 180 OE2 GLU A 11 -13.570 -3.219 7.950 1.00 0.00 O ATOM 0 H GLU A 11 -15.487 -4.934 3.258 1.00 0.00 H new ATOM 0 HA GLU A 11 -14.106 -2.378 2.755 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.393 -2.187 5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -15.129 -1.999 4.942 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.440 -4.394 5.612 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.704 -4.564 5.787 1.00 0.00 H new ATOM 187 N LEU A 12 -12.004 -3.674 2.624 1.00 0.00 N ATOM 188 CA LEU A 12 -10.823 -4.513 2.431 1.00 0.00 C ATOM 189 C LEU A 12 -9.589 -3.686 2.755 1.00 0.00 C ATOM 190 O LEU A 12 -9.345 -2.634 2.166 1.00 0.00 O ATOM 191 CB LEU A 12 -10.746 -4.989 0.979 1.00 0.00 C ATOM 192 CG LEU A 12 -11.894 -5.925 0.596 1.00 0.00 C ATOM 193 CD1 LEU A 12 -11.823 -6.213 -0.902 1.00 0.00 C ATOM 194 CD2 LEU A 12 -11.800 -7.245 1.359 1.00 0.00 C ATOM 0 H LEU A 12 -11.930 -2.723 2.264 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.881 -5.384 3.083 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.754 -4.123 0.317 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -9.798 -5.502 0.820 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.837 -5.441 0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.638 -6.880 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -11.910 -5.279 -1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.870 -6.686 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.627 -7.893 1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.855 -7.735 1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.850 -7.050 2.430 1.00 0.00 H new ATOM 206 N GLN A 13 -8.798 -4.156 3.702 1.00 0.00 N ATOM 207 CA GLN A 13 -7.603 -3.398 4.066 1.00 0.00 C ATOM 208 C GLN A 13 -6.420 -3.895 3.251 1.00 0.00 C ATOM 209 O GLN A 13 -6.435 -4.984 2.680 1.00 0.00 O ATOM 210 CB GLN A 13 -7.318 -3.581 5.554 1.00 0.00 C ATOM 211 CG GLN A 13 -8.458 -3.023 6.401 1.00 0.00 C ATOM 212 CD GLN A 13 -8.142 -3.168 7.881 1.00 0.00 C ATOM 213 OE1 GLN A 13 -7.016 -2.951 8.327 1.00 0.00 O ATOM 214 NE2 GLN A 13 -9.140 -3.538 8.662 1.00 0.00 N ATOM 0 H GLN A 13 -8.946 -5.023 4.218 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.764 -2.340 3.858 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.181 -4.640 5.774 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.387 -3.078 5.814 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -8.619 -1.972 6.159 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.384 -3.549 6.167 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.063 -3.711 8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.988 -3.651 9.664 1.00 0.00 H new ATOM 223 N VAL A 14 -5.370 -3.096 3.201 1.00 0.00 N ATOM 224 CA VAL A 14 -4.186 -3.532 2.467 1.00 0.00 C ATOM 225 C VAL A 14 -2.978 -2.763 2.985 1.00 0.00 C ATOM 226 O VAL A 14 -3.005 -1.545 3.148 1.00 0.00 O ATOM 227 CB VAL A 14 -4.400 -3.315 0.968 1.00 0.00 C ATOM 228 CG1 VAL A 14 -4.645 -1.840 0.652 1.00 0.00 C ATOM 229 CG2 VAL A 14 -3.186 -3.808 0.184 1.00 0.00 C ATOM 0 H VAL A 14 -5.306 -2.177 3.639 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.008 -4.596 2.621 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.281 -3.884 0.673 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.794 -1.718 -0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.533 -1.497 1.183 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.783 -1.252 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.351 -3.648 -0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.300 -3.257 0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.039 -4.871 0.372 1.00 0.00 H new ATOM 239 N ASP A 15 -1.906 -3.480 3.266 1.00 0.00 N ATOM 240 CA ASP A 15 -0.720 -2.805 3.787 1.00 0.00 C ATOM 241 C ASP A 15 0.183 -2.430 2.622 1.00 0.00 C ATOM 242 O ASP A 15 0.171 -3.061 1.567 1.00 0.00 O ATOM 243 CB ASP A 15 -0.004 -3.752 4.748 1.00 0.00 C ATOM 244 CG ASP A 15 1.178 -3.076 5.424 1.00 0.00 C ATOM 245 OD1 ASP A 15 1.109 -1.854 5.679 1.00 0.00 O ATOM 246 OD2 ASP A 15 2.185 -3.762 5.705 1.00 0.00 O ATOM 0 H ASP A 15 -1.825 -4.490 3.150 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.992 -1.896 4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.706 -4.102 5.505 1.00 0.00 H new ATOM 0 HB3 ASP A 15 0.341 -4.631 4.204 1.00 0.00 H new ATOM 251 N ILE A 16 0.982 -1.393 2.806 1.00 0.00 N ATOM 252 CA ILE A 16 1.873 -0.972 1.727 1.00 0.00 C ATOM 253 C ILE A 16 2.905 -2.066 1.481 1.00 0.00 C ATOM 254 O ILE A 16 3.384 -2.263 0.365 1.00 0.00 O ATOM 255 CB ILE A 16 2.578 0.338 2.102 1.00 0.00 C ATOM 256 CG1 ILE A 16 1.631 1.539 2.047 1.00 0.00 C ATOM 257 CG2 ILE A 16 3.717 0.605 1.120 1.00 0.00 C ATOM 258 CD1 ILE A 16 0.713 1.635 3.264 1.00 0.00 C ATOM 0 H ILE A 16 1.037 -0.840 3.661 1.00 0.00 H new ATOM 0 HA ILE A 16 1.291 -0.804 0.821 1.00 0.00 H new ATOM 0 HB ILE A 16 2.945 0.221 3.122 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.218 2.454 1.970 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.023 1.473 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.217 1.536 1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 16 4.433 -0.216 1.161 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.315 0.686 0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.067 2.507 3.164 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.101 0.735 3.330 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.315 1.731 4.167 1.00 0.00 H new ATOM 270 N SER A 17 3.267 -2.785 2.527 1.00 0.00 N ATOM 271 CA SER A 17 4.324 -3.781 2.366 1.00 0.00 C ATOM 272 C SER A 17 3.830 -4.985 1.576 1.00 0.00 C ATOM 273 O SER A 17 4.612 -5.700 0.951 1.00 0.00 O ATOM 274 CB SER A 17 4.794 -4.228 3.747 1.00 0.00 C ATOM 275 OG SER A 17 5.262 -3.106 4.481 1.00 0.00 O ATOM 0 H SER A 17 2.868 -2.709 3.463 1.00 0.00 H new ATOM 0 HA SER A 17 5.149 -3.333 1.812 1.00 0.00 H new ATOM 0 HB2 SER A 17 3.975 -4.709 4.282 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.589 -4.968 3.649 1.00 0.00 H new ATOM 0 HG SER A 17 5.561 -3.397 5.368 1.00 0.00 H new ATOM 281 N LYS A 18 2.534 -5.241 1.599 1.00 0.00 N ATOM 282 CA LYS A 18 2.045 -6.422 0.889 1.00 0.00 C ATOM 283 C LYS A 18 1.860 -6.115 -0.590 1.00 0.00 C ATOM 284 O LYS A 18 1.796 -7.016 -1.426 1.00 0.00 O ATOM 285 CB LYS A 18 0.726 -6.900 1.494 1.00 0.00 C ATOM 286 CG LYS A 18 0.947 -7.464 2.896 1.00 0.00 C ATOM 287 CD LYS A 18 -0.321 -8.122 3.440 1.00 0.00 C ATOM 288 CE LYS A 18 -1.434 -7.105 3.676 1.00 0.00 C ATOM 289 NZ LYS A 18 -2.606 -7.781 4.250 1.00 0.00 N ATOM 0 H LYS A 18 1.826 -4.682 2.075 1.00 0.00 H new ATOM 0 HA LYS A 18 2.786 -7.215 0.992 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.019 -6.072 1.537 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.283 -7.664 0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.756 -8.194 2.873 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.259 -6.663 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.666 -8.881 2.738 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.092 -8.633 4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.087 -6.321 4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.704 -6.622 2.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.472 -7.295 3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.630 -8.769 3.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.546 -7.758 5.288 1.00 0.00 H new ATOM 303 N ILE A 19 1.777 -4.845 -0.942 1.00 0.00 N ATOM 304 CA ILE A 19 1.640 -4.526 -2.361 1.00 0.00 C ATOM 305 C ILE A 19 2.960 -4.841 -3.048 1.00 0.00 C ATOM 306 O ILE A 19 3.966 -4.158 -2.860 1.00 0.00 O ATOM 307 CB ILE A 19 1.278 -3.050 -2.535 1.00 0.00 C ATOM 308 CG1 ILE A 19 -0.046 -2.765 -1.820 1.00 0.00 C ATOM 309 CG2 ILE A 19 1.164 -2.740 -4.027 1.00 0.00 C ATOM 310 CD1 ILE A 19 -0.483 -1.306 -1.955 1.00 0.00 C ATOM 0 H ILE A 19 1.800 -4.049 -0.305 1.00 0.00 H new ATOM 0 HA ILE A 19 0.842 -5.120 -2.808 1.00 0.00 H new ATOM 0 HB ILE A 19 2.051 -2.416 -2.100 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.822 -3.412 -2.228 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.054 -3.014 -0.764 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.906 -1.690 -4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.117 -2.945 -4.515 1.00 0.00 H new ATOM 0 HG23 ILE A 19 0.388 -3.364 -4.470 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.427 -1.159 -1.430 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.278 -0.657 -1.522 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.612 -1.061 -3.009 1.00 0.00 H new ATOM 322 N LYS A 20 2.969 -5.894 -3.845 1.00 0.00 N ATOM 323 CA LYS A 20 4.225 -6.293 -4.475 1.00 0.00 C ATOM 324 C LYS A 20 4.333 -5.667 -5.856 1.00 0.00 C ATOM 325 O LYS A 20 4.879 -4.580 -6.034 1.00 0.00 O ATOM 326 CB LYS A 20 4.258 -7.815 -4.584 1.00 0.00 C ATOM 327 CG LYS A 20 5.569 -8.280 -5.210 1.00 0.00 C ATOM 328 CD LYS A 20 5.589 -9.802 -5.323 1.00 0.00 C ATOM 329 CE LYS A 20 6.881 -10.283 -5.980 1.00 0.00 C ATOM 330 NZ LYS A 20 8.038 -9.915 -5.149 1.00 0.00 N ATOM 0 H LYS A 20 2.159 -6.472 -4.069 1.00 0.00 H new ATOM 0 HA LYS A 20 5.067 -5.950 -3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 20 4.144 -8.258 -3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.418 -8.160 -5.187 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.688 -7.833 -6.197 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.410 -7.942 -4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.493 -10.245 -4.332 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.732 -10.139 -5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.849 -11.364 -6.114 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.980 -9.841 -6.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.864 -10.477 -5.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.247 -8.904 -5.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.821 -10.103 -4.149 1.00 0.00 H new ATOM 344 N LYS A 21 3.823 -6.364 -6.855 1.00 0.00 N ATOM 345 CA LYS A 21 3.951 -5.844 -8.215 1.00 0.00 C ATOM 346 C LYS A 21 3.095 -4.598 -8.374 1.00 0.00 C ATOM 347 O LYS A 21 2.005 -4.483 -7.815 1.00 0.00 O ATOM 348 CB LYS A 21 3.506 -6.919 -9.202 1.00 0.00 C ATOM 349 CG LYS A 21 4.373 -8.167 -9.045 1.00 0.00 C ATOM 350 CD LYS A 21 3.915 -9.296 -9.969 1.00 0.00 C ATOM 351 CE LYS A 21 4.082 -8.938 -11.445 1.00 0.00 C ATOM 352 NZ LYS A 21 5.491 -8.635 -11.736 1.00 0.00 N ATOM 0 H LYS A 21 3.335 -7.255 -6.765 1.00 0.00 H new ATOM 0 HA LYS A 21 4.990 -5.579 -8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 21 2.459 -7.170 -9.031 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.580 -6.541 -10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.412 -7.918 -9.263 1.00 0.00 H new ATOM 0 HG3 LYS A 21 4.337 -8.507 -8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.486 -10.198 -9.749 1.00 0.00 H new ATOM 0 HD3 LYS A 21 2.868 -9.525 -9.769 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.744 -9.766 -12.068 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.459 -8.078 -11.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.650 -8.676 -12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.720 -7.682 -11.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 6.101 -9.332 -11.263 1.00 0.00 H new ATOM 366 N VAL A 22 3.587 -3.649 -9.152 1.00 0.00 N ATOM 367 CA VAL A 22 2.807 -2.433 -9.362 1.00 0.00 C ATOM 368 C VAL A 22 3.191 -1.833 -10.706 1.00 0.00 C ATOM 369 O VAL A 22 4.363 -1.759 -11.072 1.00 0.00 O ATOM 370 CB VAL A 22 3.067 -1.460 -8.209 1.00 0.00 C ATOM 371 CG1 VAL A 22 4.545 -1.082 -8.129 1.00 0.00 C ATOM 372 CG2 VAL A 22 2.232 -0.192 -8.376 1.00 0.00 C ATOM 0 H VAL A 22 4.486 -3.687 -9.633 1.00 0.00 H new ATOM 0 HA VAL A 22 1.740 -2.653 -9.377 1.00 0.00 H new ATOM 0 HB VAL A 22 2.781 -1.964 -7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.699 -0.390 -7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.142 -1.980 -7.968 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.850 -0.606 -9.061 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.431 0.487 -7.547 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.495 0.296 -9.315 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.174 -0.452 -8.386 1.00 0.00 H new ATOM 382 N TRP A 23 2.195 -1.413 -11.464 1.00 0.00 N ATOM 383 CA TRP A 23 2.493 -0.846 -12.777 1.00 0.00 C ATOM 384 C TRP A 23 1.512 0.280 -13.060 1.00 0.00 C ATOM 385 O TRP A 23 0.532 0.473 -12.342 1.00 0.00 O ATOM 386 CB TRP A 23 2.393 -1.939 -13.840 1.00 0.00 C ATOM 387 CG TRP A 23 0.995 -2.510 -13.921 1.00 0.00 C ATOM 388 CD1 TRP A 23 -0.028 -2.087 -14.771 1.00 0.00 C ATOM 389 CD2 TRP A 23 0.484 -3.569 -13.216 1.00 0.00 C ATOM 390 NE1 TRP A 23 -1.170 -2.876 -14.592 1.00 0.00 N ATOM 391 CE2 TRP A 23 -0.791 -3.781 -13.612 1.00 0.00 C ATOM 392 CE3 TRP A 23 1.067 -4.324 -12.291 1.00 0.00 C ATOM 393 CZ2 TRP A 23 -1.517 -4.762 -13.084 1.00 0.00 C ATOM 394 CZ3 TRP A 23 0.335 -5.314 -11.749 1.00 0.00 C ATOM 395 CH2 TRP A 23 -0.940 -5.532 -12.142 1.00 0.00 C ATOM 0 H TRP A 23 1.207 -1.448 -11.212 1.00 0.00 H new ATOM 0 HA TRP A 23 3.506 -0.444 -12.796 1.00 0.00 H new ATOM 0 HB2 TRP A 23 2.677 -1.531 -14.810 1.00 0.00 H new ATOM 0 HB3 TRP A 23 3.100 -2.736 -13.610 1.00 0.00 H new ATOM 0 HD1 TRP A 23 0.051 -1.266 -15.469 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.068 -2.803 -15.069 1.00 0.00 H new ATOM 0 HE3 TRP A 23 2.088 -4.150 -11.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.535 -4.935 -13.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 0.772 -5.944 -10.989 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -1.504 -6.336 -11.694 1.00 0.00 H new ATOM 406 N ARG A 24 1.774 1.048 -14.103 1.00 0.00 N ATOM 407 CA ARG A 24 0.898 2.186 -14.372 1.00 0.00 C ATOM 408 C ARG A 24 0.774 2.406 -15.871 1.00 0.00 C ATOM 409 O ARG A 24 1.479 3.220 -16.465 1.00 0.00 O ATOM 410 CB ARG A 24 1.489 3.427 -13.705 1.00 0.00 C ATOM 411 CG ARG A 24 0.571 4.635 -13.894 1.00 0.00 C ATOM 412 CD ARG A 24 1.134 5.871 -13.195 1.00 0.00 C ATOM 413 NE ARG A 24 2.429 6.222 -13.771 1.00 0.00 N ATOM 414 CZ ARG A 24 3.075 7.274 -13.301 1.00 0.00 C ATOM 415 NH1 ARG A 24 2.552 7.989 -12.323 1.00 0.00 N ATOM 416 NH2 ARG A 24 4.246 7.609 -13.810 1.00 0.00 N ATOM 0 H ARG A 24 2.548 0.919 -14.754 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.096 1.990 -13.970 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.635 3.239 -12.641 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.470 3.641 -14.129 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.449 4.839 -14.958 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.419 4.409 -13.497 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.441 6.706 -13.300 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.241 5.678 -12.128 1.00 0.00 H new ATOM 0 HE ARG A 24 2.829 5.663 -14.525 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.648 7.730 -11.929 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.052 8.801 -11.961 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.651 7.056 -14.565 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.746 8.421 -13.448 1.00 0.00 H new ATOM 430 N VAL A 25 -0.149 1.694 -16.495 1.00 0.00 N ATOM 431 CA VAL A 25 -0.406 1.950 -17.910 1.00 0.00 C ATOM 432 C VAL A 25 -1.902 2.174 -18.072 1.00 0.00 C ATOM 433 O VAL A 25 -2.658 1.273 -18.428 1.00 0.00 O ATOM 434 CB VAL A 25 0.053 0.765 -18.762 1.00 0.00 C ATOM 435 CG1 VAL A 25 -0.238 1.030 -20.237 1.00 0.00 C ATOM 436 CG2 VAL A 25 1.554 0.543 -18.589 1.00 0.00 C ATOM 0 H VAL A 25 -0.716 0.961 -16.069 1.00 0.00 H new ATOM 0 HA VAL A 25 0.149 2.827 -18.244 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.491 -0.121 -18.435 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.094 0.179 -20.832 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.309 1.175 -20.376 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.294 1.926 -20.558 1.00 0.00 H new ATOM 0 HG21 VAL A 25 1.870 -0.303 -19.200 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.093 1.438 -18.902 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.773 0.336 -17.542 1.00 0.00 H new ATOM 446 N GLY A 26 -2.347 3.386 -17.794 1.00 0.00 N ATOM 447 CA GLY A 26 -3.779 3.647 -17.903 1.00 0.00 C ATOM 448 C GLY A 26 -4.143 4.893 -17.111 1.00 0.00 C ATOM 449 O GLY A 26 -3.370 5.845 -17.013 1.00 0.00 O ATOM 0 H GLY A 26 -1.772 4.176 -17.503 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -4.054 3.778 -18.949 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.342 2.792 -17.530 1.00 0.00 H new ATOM 453 N LYS A 27 -5.333 4.896 -16.538 1.00 0.00 N ATOM 454 CA LYS A 27 -5.753 6.076 -15.788 1.00 0.00 C ATOM 455 C LYS A 27 -5.313 5.909 -14.340 1.00 0.00 C ATOM 456 O LYS A 27 -4.436 6.618 -13.849 1.00 0.00 O ATOM 457 CB LYS A 27 -7.270 6.222 -15.936 1.00 0.00 C ATOM 458 CG LYS A 27 -7.789 7.608 -15.543 1.00 0.00 C ATOM 459 CD LYS A 27 -7.842 7.822 -14.031 1.00 0.00 C ATOM 460 CE LYS A 27 -8.484 9.170 -13.712 1.00 0.00 C ATOM 461 NZ LYS A 27 -8.535 9.365 -12.257 1.00 0.00 N ATOM 0 H LYS A 27 -6.006 4.130 -16.571 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.293 6.989 -16.166 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.548 6.018 -16.970 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.762 5.470 -15.319 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.149 8.369 -15.989 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.787 7.747 -15.959 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.412 7.020 -13.562 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -6.835 7.783 -13.615 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.913 9.974 -14.176 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.490 9.212 -14.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.973 10.284 -12.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.098 8.605 -11.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.570 9.344 -11.870 1.00 0.00 H new ATOM 475 N MET A 28 -5.922 4.970 -13.638 1.00 0.00 N ATOM 476 CA MET A 28 -5.556 4.789 -12.235 1.00 0.00 C ATOM 477 C MET A 28 -4.420 3.782 -12.144 1.00 0.00 C ATOM 478 O MET A 28 -4.121 3.059 -13.093 1.00 0.00 O ATOM 479 CB MET A 28 -6.767 4.286 -11.452 1.00 0.00 C ATOM 480 CG MET A 28 -7.950 5.245 -11.579 1.00 0.00 C ATOM 481 SD MET A 28 -9.323 4.624 -10.595 1.00 0.00 S ATOM 482 CE MET A 28 -10.574 5.832 -11.058 1.00 0.00 C ATOM 0 H MET A 28 -6.643 4.342 -13.992 1.00 0.00 H new ATOM 0 HA MET A 28 -5.231 5.739 -11.811 1.00 0.00 H new ATOM 0 HB2 MET A 28 -7.055 3.300 -11.818 1.00 0.00 H new ATOM 0 HB3 MET A 28 -6.501 4.171 -10.401 1.00 0.00 H new ATOM 0 HG2 MET A 28 -7.665 6.241 -11.239 1.00 0.00 H new ATOM 0 HG3 MET A 28 -8.248 5.338 -12.623 1.00 0.00 H new ATOM 0 HE1 MET A 28 -11.384 5.815 -10.328 1.00 0.00 H new ATOM 0 HE2 MET A 28 -10.128 6.826 -11.082 1.00 0.00 H new ATOM 0 HE3 MET A 28 -10.969 5.587 -12.044 1.00 0.00 H new ATOM 492 N ILE A 29 -3.773 3.726 -10.994 1.00 0.00 N ATOM 493 CA ILE A 29 -2.664 2.785 -10.852 1.00 0.00 C ATOM 494 C ILE A 29 -3.205 1.462 -10.330 1.00 0.00 C ATOM 495 O ILE A 29 -3.867 1.396 -9.297 1.00 0.00 O ATOM 496 CB ILE A 29 -1.623 3.354 -9.887 1.00 0.00 C ATOM 497 CG1 ILE A 29 -1.089 4.679 -10.435 1.00 0.00 C ATOM 498 CG2 ILE A 29 -0.483 2.349 -9.721 1.00 0.00 C ATOM 499 CD1 ILE A 29 -0.095 5.331 -9.476 1.00 0.00 C ATOM 0 H ILE A 29 -3.980 4.293 -10.172 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.186 2.624 -11.818 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.080 3.535 -8.914 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.606 4.506 -11.397 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.921 5.360 -10.614 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.260 2.752 -9.033 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.877 1.414 -9.322 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -0.018 2.163 -10.689 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.260 6.269 -9.902 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.585 5.528 -8.523 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.750 4.661 -9.318 1.00 0.00 H new ATOM 511 N SER A 30 -2.914 0.391 -11.048 1.00 0.00 N ATOM 512 CA SER A 30 -3.379 -0.915 -10.590 1.00 0.00 C ATOM 513 C SER A 30 -2.271 -1.584 -9.790 1.00 0.00 C ATOM 514 O SER A 30 -1.103 -1.206 -9.860 1.00 0.00 O ATOM 515 CB SER A 30 -3.749 -1.764 -11.803 1.00 0.00 C ATOM 516 OG SER A 30 -4.218 -3.035 -11.377 1.00 0.00 O ATOM 0 H SER A 30 -2.380 0.390 -11.917 1.00 0.00 H new ATOM 0 HA SER A 30 -4.257 -0.804 -9.954 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.518 -1.261 -12.390 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.881 -1.885 -12.452 1.00 0.00 H new ATOM 0 HG SER A 30 -4.766 -2.928 -10.571 1.00 0.00 H new ATOM 522 N PHE A 31 -2.631 -2.589 -9.015 1.00 0.00 N ATOM 523 CA PHE A 31 -1.606 -3.271 -8.229 1.00 0.00 C ATOM 524 C PHE A 31 -2.140 -4.624 -7.788 1.00 0.00 C ATOM 525 O PHE A 31 -3.316 -4.939 -7.960 1.00 0.00 O ATOM 526 CB PHE A 31 -1.210 -2.412 -7.026 1.00 0.00 C ATOM 527 CG PHE A 31 -2.366 -2.181 -6.077 1.00 0.00 C ATOM 528 CD1 PHE A 31 -3.215 -1.165 -6.282 1.00 0.00 C ATOM 529 CD2 PHE A 31 -2.520 -2.970 -5.003 1.00 0.00 C ATOM 530 CE1 PHE A 31 -4.224 -0.947 -5.426 1.00 0.00 C ATOM 531 CE2 PHE A 31 -3.527 -2.751 -4.147 1.00 0.00 C ATOM 532 CZ PHE A 31 -4.382 -1.740 -4.358 1.00 0.00 C ATOM 0 H PHE A 31 -3.581 -2.944 -8.910 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.713 -3.426 -8.834 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -0.394 -2.897 -6.490 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.834 -1.451 -7.377 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -3.086 -0.520 -7.139 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.831 -3.783 -4.828 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.910 -0.131 -5.598 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -3.650 -3.390 -3.285 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.195 -1.566 -3.669 1.00 0.00 H new ATOM 542 N THR A 32 -1.270 -5.446 -7.227 1.00 0.00 N ATOM 543 CA THR A 32 -1.710 -6.788 -6.849 1.00 0.00 C ATOM 544 C THR A 32 -1.419 -7.034 -5.377 1.00 0.00 C ATOM 545 O THR A 32 -0.309 -7.391 -4.986 1.00 0.00 O ATOM 546 CB THR A 32 -0.974 -7.823 -7.697 1.00 0.00 C ATOM 547 OG1 THR A 32 0.425 -7.672 -7.510 1.00 0.00 O ATOM 548 CG2 THR A 32 -1.307 -7.644 -9.176 1.00 0.00 C ATOM 0 H THR A 32 -0.294 -5.227 -7.027 1.00 0.00 H new ATOM 0 HA THR A 32 -2.783 -6.874 -7.019 1.00 0.00 H new ATOM 0 HB THR A 32 -1.289 -8.819 -7.386 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.611 -7.491 -6.565 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.772 -8.391 -9.762 1.00 0.00 H new ATOM 0 HG22 THR A 32 -2.380 -7.766 -9.325 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.007 -6.647 -9.498 1.00 0.00 H new ATOM 556 N TYR A 33 -2.432 -6.871 -4.547 1.00 0.00 N ATOM 557 CA TYR A 33 -2.249 -7.209 -3.137 1.00 0.00 C ATOM 558 C TYR A 33 -2.379 -8.717 -2.993 1.00 0.00 C ATOM 559 O TYR A 33 -3.142 -9.363 -3.708 1.00 0.00 O ATOM 560 CB TYR A 33 -3.301 -6.487 -2.294 1.00 0.00 C ATOM 561 CG TYR A 33 -4.706 -6.829 -2.741 1.00 0.00 C ATOM 562 CD1 TYR A 33 -5.316 -7.927 -2.272 1.00 0.00 C ATOM 563 CD2 TYR A 33 -5.352 -6.023 -3.596 1.00 0.00 C ATOM 564 CE1 TYR A 33 -6.560 -8.225 -2.665 1.00 0.00 C ATOM 565 CE2 TYR A 33 -6.598 -6.321 -3.988 1.00 0.00 C ATOM 566 CZ TYR A 33 -7.204 -7.421 -3.522 1.00 0.00 C ATOM 567 OH TYR A 33 -8.477 -7.726 -3.925 1.00 0.00 O ATOM 0 H TYR A 33 -3.356 -6.522 -4.803 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.266 -6.893 -2.788 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.176 -6.758 -1.246 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -3.148 -5.410 -2.365 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.802 -8.573 -1.575 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.867 -5.133 -3.969 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.045 -9.114 -2.291 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -7.115 -5.673 -4.681 1.00 0.00 H new ATOM 0 HH TYR A 33 -8.797 -7.039 -4.546 1.00 0.00 H new ATOM 577 N ASP A 34 -1.631 -9.298 -2.072 1.00 0.00 N ATOM 578 CA ASP A 34 -1.683 -10.752 -1.940 1.00 0.00 C ATOM 579 C ASP A 34 -2.576 -11.139 -0.773 1.00 0.00 C ATOM 580 O ASP A 34 -2.130 -11.279 0.364 1.00 0.00 O ATOM 581 CB ASP A 34 -0.272 -11.286 -1.716 1.00 0.00 C ATOM 582 CG ASP A 34 -0.290 -12.800 -1.584 1.00 0.00 C ATOM 583 OD1 ASP A 34 -0.273 -13.496 -2.623 1.00 0.00 O ATOM 584 OD2 ASP A 34 -0.322 -13.305 -0.441 1.00 0.00 O ATOM 0 H ASP A 34 -1.004 -8.816 -1.428 1.00 0.00 H new ATOM 0 HA ASP A 34 -2.096 -11.184 -2.852 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.369 -10.995 -2.548 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.153 -10.842 -0.816 1.00 0.00 H new ATOM 589 N GLU A 35 -3.854 -11.326 -1.054 1.00 0.00 N ATOM 590 CA GLU A 35 -4.764 -11.753 0.008 1.00 0.00 C ATOM 591 C GLU A 35 -5.623 -12.889 -0.519 1.00 0.00 C ATOM 592 O GLU A 35 -6.762 -12.695 -0.943 1.00 0.00 O ATOM 593 CB GLU A 35 -5.658 -10.588 0.426 1.00 0.00 C ATOM 594 CG GLU A 35 -4.848 -9.466 1.071 1.00 0.00 C ATOM 595 CD GLU A 35 -4.230 -9.926 2.382 1.00 0.00 C ATOM 596 OE1 GLU A 35 -3.024 -10.118 2.533 1.00 0.00 O ATOM 597 OE2 GLU A 35 -5.173 -10.094 3.361 1.00 0.00 O ATOM 0 H GLU A 35 -4.279 -11.196 -1.972 1.00 0.00 H new ATOM 0 HA GLU A 35 -4.191 -12.085 0.874 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.186 -10.202 -0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.415 -10.941 1.127 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.063 -9.141 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.491 -8.605 1.250 1.00 0.00 H new ATOM 605 N GLY A 36 -5.084 -14.093 -0.501 1.00 0.00 N ATOM 606 CA GLY A 36 -5.868 -15.215 -1.010 1.00 0.00 C ATOM 607 C GLY A 36 -5.186 -16.532 -0.679 1.00 0.00 C ATOM 608 O GLY A 36 -5.824 -17.511 -0.292 1.00 0.00 O ATOM 0 H GLY A 36 -4.151 -14.320 -0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -6.867 -15.196 -0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.989 -15.122 -2.089 1.00 0.00 H new ATOM 612 N GLY A 37 -3.877 -16.580 -0.851 1.00 0.00 N ATOM 613 CA GLY A 37 -3.192 -17.853 -0.648 1.00 0.00 C ATOM 614 C GLY A 37 -3.616 -18.821 -1.739 1.00 0.00 C ATOM 615 O GLY A 37 -3.863 -20.003 -1.503 1.00 0.00 O ATOM 0 H GLY A 37 -3.285 -15.794 -1.119 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.112 -17.708 -0.672 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.437 -18.260 0.333 1.00 0.00 H new ATOM 619 N GLY A 38 -3.725 -18.306 -2.951 1.00 0.00 N ATOM 620 CA GLY A 38 -4.228 -19.140 -4.039 1.00 0.00 C ATOM 621 C GLY A 38 -5.202 -18.323 -4.872 1.00 0.00 C ATOM 622 O GLY A 38 -5.686 -18.755 -5.917 1.00 0.00 O ATOM 0 H GLY A 38 -3.483 -17.349 -3.207 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.403 -19.490 -4.659 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.723 -20.025 -3.639 1.00 0.00 H new ATOM 626 N LYS A 39 -5.492 -17.121 -4.406 1.00 0.00 N ATOM 627 CA LYS A 39 -6.405 -16.268 -5.161 1.00 0.00 C ATOM 628 C LYS A 39 -6.004 -14.817 -4.941 1.00 0.00 C ATOM 629 O LYS A 39 -6.622 -14.077 -4.176 1.00 0.00 O ATOM 630 CB LYS A 39 -7.835 -16.522 -4.685 1.00 0.00 C ATOM 631 CG LYS A 39 -8.866 -15.685 -5.446 1.00 0.00 C ATOM 632 CD LYS A 39 -8.905 -15.991 -6.945 1.00 0.00 C ATOM 633 CE LYS A 39 -9.319 -17.436 -7.217 1.00 0.00 C ATOM 634 NZ LYS A 39 -9.425 -17.654 -8.667 1.00 0.00 N ATOM 0 H LYS A 39 -5.127 -16.720 -3.542 1.00 0.00 H new ATOM 0 HA LYS A 39 -6.354 -16.491 -6.227 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.071 -17.579 -4.804 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.905 -16.298 -3.621 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.854 -15.862 -5.020 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.642 -14.628 -5.304 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.604 -15.314 -7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.923 -15.806 -7.380 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.588 -18.121 -6.789 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.274 -17.648 -6.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.707 -18.638 -8.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -10.139 -17.010 -9.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.505 -17.469 -9.114 1.00 0.00 H new ATOM 648 N THR A 40 -4.946 -14.402 -5.613 1.00 0.00 N ATOM 649 CA THR A 40 -4.498 -13.021 -5.460 1.00 0.00 C ATOM 650 C THR A 40 -5.569 -12.084 -5.994 1.00 0.00 C ATOM 651 O THR A 40 -6.072 -12.243 -7.105 1.00 0.00 O ATOM 652 CB THR A 40 -3.200 -12.849 -6.247 1.00 0.00 C ATOM 653 OG1 THR A 40 -2.238 -13.775 -5.764 1.00 0.00 O ATOM 654 CG2 THR A 40 -2.650 -11.434 -6.092 1.00 0.00 C ATOM 0 H THR A 40 -4.393 -14.975 -6.251 1.00 0.00 H new ATOM 0 HA THR A 40 -4.323 -12.787 -4.410 1.00 0.00 H new ATOM 0 HB THR A 40 -3.408 -13.028 -7.302 1.00 0.00 H new ATOM 0 HG1 THR A 40 -1.403 -13.671 -6.266 1.00 0.00 H new ATOM 0 HG21 THR A 40 -1.726 -11.338 -6.662 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.382 -10.717 -6.464 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.449 -11.235 -5.039 1.00 0.00 H new ATOM 662 N GLY A 41 -5.931 -11.096 -5.197 1.00 0.00 N ATOM 663 CA GLY A 41 -6.976 -10.178 -5.643 1.00 0.00 C ATOM 664 C GLY A 41 -6.360 -8.981 -6.349 1.00 0.00 C ATOM 665 O GLY A 41 -5.280 -8.508 -5.995 1.00 0.00 O ATOM 0 H GLY A 41 -5.540 -10.908 -4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.660 -10.694 -6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -7.564 -9.842 -4.789 1.00 0.00 H new ATOM 669 N ARG A 42 -7.053 -8.477 -7.353 1.00 0.00 N ATOM 670 CA ARG A 42 -6.533 -7.308 -8.061 1.00 0.00 C ATOM 671 C ARG A 42 -7.447 -6.123 -7.797 1.00 0.00 C ATOM 672 O ARG A 42 -8.667 -6.253 -7.714 1.00 0.00 O ATOM 673 CB ARG A 42 -6.487 -7.609 -9.558 1.00 0.00 C ATOM 674 CG ARG A 42 -5.594 -8.815 -9.844 1.00 0.00 C ATOM 675 CD ARG A 42 -5.569 -9.125 -11.339 1.00 0.00 C ATOM 676 NE ARG A 42 -5.002 -7.997 -12.075 1.00 0.00 N ATOM 677 CZ ARG A 42 -4.903 -8.075 -13.389 1.00 0.00 C ATOM 678 NH1 ARG A 42 -5.312 -9.160 -14.021 1.00 0.00 N ATOM 679 NH2 ARG A 42 -4.394 -7.067 -14.072 1.00 0.00 N ATOM 0 H ARG A 42 -7.945 -8.837 -7.692 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.528 -7.073 -7.712 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.495 -7.802 -9.925 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -6.113 -6.738 -10.097 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.582 -8.616 -9.492 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.958 -9.682 -9.294 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -4.979 -10.023 -11.523 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.579 -9.330 -11.693 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.687 -7.162 -11.581 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.705 -9.940 -13.494 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.235 -9.218 -15.036 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.078 -6.229 -13.585 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -4.317 -7.126 -15.087 1.00 0.00 H new ATOM 693 N GLY A 43 -6.859 -4.947 -7.665 1.00 0.00 N ATOM 694 CA GLY A 43 -7.687 -3.770 -7.419 1.00 0.00 C ATOM 695 C GLY A 43 -7.015 -2.537 -8.002 1.00 0.00 C ATOM 696 O GLY A 43 -6.055 -2.625 -8.766 1.00 0.00 O ATOM 0 H GLY A 43 -5.854 -4.779 -7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.671 -3.906 -7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.841 -3.640 -6.348 1.00 0.00 H new ATOM 700 N ALA A 44 -7.514 -1.367 -7.648 1.00 0.00 N ATOM 701 CA ALA A 44 -6.900 -0.154 -8.183 1.00 0.00 C ATOM 702 C ALA A 44 -7.282 1.033 -7.312 1.00 0.00 C ATOM 703 O ALA A 44 -8.209 0.977 -6.506 1.00 0.00 O ATOM 704 CB ALA A 44 -7.381 0.069 -9.614 1.00 0.00 C ATOM 0 H ALA A 44 -8.306 -1.226 -7.022 1.00 0.00 H new ATOM 0 HA ALA A 44 -5.815 -0.260 -8.184 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.924 0.974 -10.015 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.098 -0.784 -10.230 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.466 0.177 -9.621 1.00 0.00 H new ATOM 710 N VAL A 45 -6.561 2.127 -7.473 1.00 0.00 N ATOM 711 CA VAL A 45 -6.885 3.306 -6.675 1.00 0.00 C ATOM 712 C VAL A 45 -6.256 4.521 -7.341 1.00 0.00 C ATOM 713 O VAL A 45 -5.114 4.493 -7.796 1.00 0.00 O ATOM 714 CB VAL A 45 -6.377 3.106 -5.246 1.00 0.00 C ATOM 715 CG1 VAL A 45 -4.859 2.944 -5.221 1.00 0.00 C ATOM 716 CG2 VAL A 45 -6.777 4.292 -4.372 1.00 0.00 C ATOM 0 H VAL A 45 -5.778 2.230 -8.119 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.962 3.462 -6.619 1.00 0.00 H new ATOM 0 HB VAL A 45 -6.831 2.196 -4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.525 2.803 -4.193 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.576 2.076 -5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.391 3.837 -5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.409 4.137 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.345 5.206 -4.779 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.863 4.381 -4.354 1.00 0.00 H new ATOM 726 N SER A 46 -7.010 5.603 -7.425 1.00 0.00 N ATOM 727 CA SER A 46 -6.468 6.785 -8.087 1.00 0.00 C ATOM 728 C SER A 46 -5.332 7.356 -7.251 1.00 0.00 C ATOM 729 O SER A 46 -5.287 7.202 -6.032 1.00 0.00 O ATOM 730 CB SER A 46 -7.581 7.815 -8.256 1.00 0.00 C ATOM 731 OG SER A 46 -8.631 7.258 -9.033 1.00 0.00 O ATOM 0 H SER A 46 -7.959 5.693 -7.062 1.00 0.00 H new ATOM 0 HA SER A 46 -6.078 6.520 -9.070 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.959 8.120 -7.280 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.191 8.710 -8.741 1.00 0.00 H new ATOM 0 HG SER A 46 -8.428 6.320 -9.233 1.00 0.00 H new ATOM 737 N GLU A 47 -4.396 8.014 -7.911 1.00 0.00 N ATOM 738 CA GLU A 47 -3.236 8.523 -7.180 1.00 0.00 C ATOM 739 C GLU A 47 -3.419 9.998 -6.856 1.00 0.00 C ATOM 740 O GLU A 47 -2.472 10.700 -6.504 1.00 0.00 O ATOM 741 CB GLU A 47 -1.980 8.322 -8.025 1.00 0.00 C ATOM 742 CG GLU A 47 -2.062 9.084 -9.347 1.00 0.00 C ATOM 743 CD GLU A 47 -0.803 8.859 -10.168 1.00 0.00 C ATOM 744 OE1 GLU A 47 0.308 9.022 -9.622 1.00 0.00 O ATOM 745 OE2 GLU A 47 -0.918 8.517 -11.365 1.00 0.00 O ATOM 0 H GLU A 47 -4.406 8.207 -8.913 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.135 7.976 -6.243 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.107 8.657 -7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.842 7.259 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.935 8.754 -9.910 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.192 10.149 -9.153 1.00 0.00 H new ATOM 752 N LYS A 48 -4.641 10.485 -6.964 1.00 0.00 N ATOM 753 CA LYS A 48 -4.870 11.897 -6.666 1.00 0.00 C ATOM 754 C LYS A 48 -5.328 12.049 -5.222 1.00 0.00 C ATOM 755 O LYS A 48 -5.650 13.142 -4.759 1.00 0.00 O ATOM 756 CB LYS A 48 -5.936 12.439 -7.615 1.00 0.00 C ATOM 757 CG LYS A 48 -6.237 13.906 -7.306 1.00 0.00 C ATOM 758 CD LYS A 48 -7.356 14.481 -8.177 1.00 0.00 C ATOM 759 CE LYS A 48 -6.922 14.750 -9.620 1.00 0.00 C ATOM 760 NZ LYS A 48 -6.866 13.510 -10.408 1.00 0.00 N ATOM 0 H LYS A 48 -5.465 9.953 -7.244 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.945 12.458 -6.801 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -5.596 12.341 -8.646 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.847 11.848 -7.522 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.515 14.001 -6.256 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.332 14.496 -7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.197 13.787 -8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.712 15.411 -7.733 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.618 15.447 -10.086 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.943 15.228 -9.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.880 13.186 -10.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.441 12.778 -9.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.238 13.688 -11.363 1.00 0.00 H new ATOM 774 N ASP A 49 -5.363 10.949 -4.492 1.00 0.00 N ATOM 775 CA ASP A 49 -5.788 11.044 -3.098 1.00 0.00 C ATOM 776 C ASP A 49 -5.276 9.829 -2.339 1.00 0.00 C ATOM 777 O ASP A 49 -6.006 9.176 -1.595 1.00 0.00 O ATOM 778 CB ASP A 49 -7.313 11.102 -3.045 1.00 0.00 C ATOM 779 CG ASP A 49 -7.922 9.874 -3.701 1.00 0.00 C ATOM 780 OD1 ASP A 49 -8.042 9.853 -4.945 1.00 0.00 O ATOM 781 OD2 ASP A 49 -8.283 8.921 -2.977 1.00 0.00 O ATOM 0 H ASP A 49 -5.115 10.015 -4.818 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.383 11.946 -2.638 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -7.643 11.168 -2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.665 12.002 -3.549 1.00 0.00 H new ATOM 786 N ALA A 50 -4.006 9.517 -2.527 1.00 0.00 N ATOM 787 CA ALA A 50 -3.455 8.345 -1.850 1.00 0.00 C ATOM 788 C ALA A 50 -2.445 8.816 -0.807 1.00 0.00 C ATOM 789 O ALA A 50 -1.889 9.905 -0.933 1.00 0.00 O ATOM 790 CB ALA A 50 -2.773 7.467 -2.897 1.00 0.00 C ATOM 0 H ALA A 50 -3.354 10.033 -3.118 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.237 7.772 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.353 6.584 -2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.503 7.159 -3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.975 8.030 -3.380 1.00 0.00 H new ATOM 796 N PRO A 51 -2.171 8.030 0.229 1.00 0.00 N ATOM 797 CA PRO A 51 -1.196 8.415 1.245 1.00 0.00 C ATOM 798 C PRO A 51 0.133 8.836 0.631 1.00 0.00 C ATOM 799 O PRO A 51 0.465 8.485 -0.500 1.00 0.00 O ATOM 800 CB PRO A 51 -1.072 7.123 2.051 1.00 0.00 C ATOM 801 CG PRO A 51 -2.427 6.433 1.890 1.00 0.00 C ATOM 802 CD PRO A 51 -2.842 6.752 0.455 1.00 0.00 C ATOM 0 HA PRO A 51 -1.493 9.280 1.838 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.262 6.498 1.675 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.855 7.329 3.099 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -2.348 5.358 2.052 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.154 6.811 2.608 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.511 5.986 -0.247 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.924 6.834 0.350 1.00 0.00 H new ATOM 810 N LYS A 52 0.904 9.615 1.370 1.00 0.00 N ATOM 811 CA LYS A 52 2.131 10.154 0.786 1.00 0.00 C ATOM 812 C LYS A 52 3.257 9.132 0.844 1.00 0.00 C ATOM 813 O LYS A 52 4.310 9.303 0.231 1.00 0.00 O ATOM 814 CB LYS A 52 2.534 11.416 1.544 1.00 0.00 C ATOM 815 CG LYS A 52 2.818 11.094 3.008 1.00 0.00 C ATOM 816 CD LYS A 52 3.235 12.359 3.755 1.00 0.00 C ATOM 817 CE LYS A 52 3.559 12.048 5.214 1.00 0.00 C ATOM 818 NZ LYS A 52 2.364 11.530 5.896 1.00 0.00 N ATOM 0 H LYS A 52 0.719 9.883 2.336 1.00 0.00 H new ATOM 0 HA LYS A 52 1.946 10.393 -0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.419 11.856 1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.738 12.157 1.477 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.930 10.665 3.472 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.607 10.345 3.077 1.00 0.00 H new ATOM 0 HD2 LYS A 52 4.106 12.801 3.271 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.434 13.096 3.705 1.00 0.00 H new ATOM 0 HE2 LYS A 52 4.364 11.316 5.268 1.00 0.00 H new ATOM 0 HE3 LYS A 52 3.913 12.948 5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 2.504 11.576 6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.538 12.104 5.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.203 10.542 5.613 1.00 0.00 H new ATOM 832 N GLU A 53 3.048 8.052 1.575 1.00 0.00 N ATOM 833 CA GLU A 53 4.090 7.031 1.642 1.00 0.00 C ATOM 834 C GLU A 53 4.273 6.396 0.272 1.00 0.00 C ATOM 835 O GLU A 53 5.381 6.043 -0.133 1.00 0.00 O ATOM 836 CB GLU A 53 3.689 5.963 2.658 1.00 0.00 C ATOM 837 CG GLU A 53 3.508 6.558 4.053 1.00 0.00 C ATOM 838 CD GLU A 53 4.802 7.180 4.553 1.00 0.00 C ATOM 839 OE1 GLU A 53 5.740 6.426 4.897 1.00 0.00 O ATOM 840 OE2 GLU A 53 4.892 8.425 4.605 1.00 0.00 O ATOM 0 H GLU A 53 2.203 7.858 2.113 1.00 0.00 H new ATOM 0 HA GLU A 53 5.029 7.489 1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.761 5.488 2.341 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.451 5.185 2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.722 7.313 4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.183 5.780 4.744 1.00 0.00 H new ATOM 847 N LEU A 54 3.187 6.244 -0.465 1.00 0.00 N ATOM 848 CA LEU A 54 3.315 5.648 -1.793 1.00 0.00 C ATOM 849 C LEU A 54 3.829 6.692 -2.775 1.00 0.00 C ATOM 850 O LEU A 54 4.443 6.369 -3.790 1.00 0.00 O ATOM 851 CB LEU A 54 1.953 5.135 -2.259 1.00 0.00 C ATOM 852 CG LEU A 54 1.414 4.010 -1.374 1.00 0.00 C ATOM 853 CD1 LEU A 54 -0.014 3.685 -1.799 1.00 0.00 C ATOM 854 CD2 LEU A 54 2.271 2.755 -1.510 1.00 0.00 C ATOM 0 H LEU A 54 2.242 6.510 -0.188 1.00 0.00 H new ATOM 0 HA LEU A 54 4.018 4.817 -1.748 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.241 5.960 -2.265 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.035 4.777 -3.285 1.00 0.00 H new ATOM 0 HG LEU A 54 1.439 4.339 -0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.406 2.884 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.638 4.572 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.020 3.367 -2.842 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.868 1.969 -0.872 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.263 2.420 -2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.294 2.979 -1.209 1.00 0.00 H new ATOM 866 N LEU A 55 3.580 7.959 -2.493 1.00 0.00 N ATOM 867 CA LEU A 55 4.004 8.984 -3.443 1.00 0.00 C ATOM 868 C LEU A 55 5.490 9.264 -3.277 1.00 0.00 C ATOM 869 O LEU A 55 6.163 9.727 -4.195 1.00 0.00 O ATOM 870 CB LEU A 55 3.210 10.268 -3.204 1.00 0.00 C ATOM 871 CG LEU A 55 1.704 10.061 -3.372 1.00 0.00 C ATOM 872 CD1 LEU A 55 0.980 11.356 -3.012 1.00 0.00 C ATOM 873 CD2 LEU A 55 1.357 9.685 -4.811 1.00 0.00 C ATOM 0 H LEU A 55 3.108 8.298 -1.654 1.00 0.00 H new ATOM 0 HA LEU A 55 3.819 8.627 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.414 10.636 -2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.548 11.036 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 55 1.392 9.249 -2.715 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.095 11.217 -3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.201 11.621 -1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.316 12.156 -3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.280 9.544 -4.901 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.676 10.482 -5.482 1.00 0.00 H new ATOM 0 HD23 LEU A 55 1.867 8.760 -5.078 1.00 0.00 H new ATOM 885 N GLN A 56 6.023 8.985 -2.101 1.00 0.00 N ATOM 886 CA GLN A 56 7.441 9.263 -1.888 1.00 0.00 C ATOM 887 C GLN A 56 8.281 8.162 -2.521 1.00 0.00 C ATOM 888 O GLN A 56 9.476 8.319 -2.765 1.00 0.00 O ATOM 889 CB GLN A 56 7.704 9.351 -0.386 1.00 0.00 C ATOM 890 CG GLN A 56 9.155 9.735 -0.100 1.00 0.00 C ATOM 891 CD GLN A 56 9.382 9.876 1.396 1.00 0.00 C ATOM 892 OE1 GLN A 56 9.113 8.968 2.181 1.00 0.00 O ATOM 893 NE2 GLN A 56 9.885 11.025 1.808 1.00 0.00 N ATOM 0 H GLN A 56 5.525 8.583 -1.306 1.00 0.00 H new ATOM 0 HA GLN A 56 7.714 10.209 -2.355 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.036 10.087 0.060 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.480 8.392 0.082 1.00 0.00 H new ATOM 0 HG2 GLN A 56 9.825 8.977 -0.506 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.395 10.673 -0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.098 11.760 1.133 1.00 0.00 H new ATOM 0 HE22 GLN A 56 10.061 11.178 2.801 1.00 0.00 H new ATOM 902 N MET A 57 7.660 7.030 -2.801 1.00 0.00 N ATOM 903 CA MET A 57 8.418 5.942 -3.416 1.00 0.00 C ATOM 904 C MET A 57 8.859 6.346 -4.815 1.00 0.00 C ATOM 905 O MET A 57 9.976 6.057 -5.242 1.00 0.00 O ATOM 906 CB MET A 57 7.539 4.693 -3.469 1.00 0.00 C ATOM 907 CG MET A 57 8.258 3.547 -4.177 1.00 0.00 C ATOM 908 SD MET A 57 7.227 2.074 -4.121 1.00 0.00 S ATOM 909 CE MET A 57 8.304 0.942 -5.016 1.00 0.00 C ATOM 0 H MET A 57 6.674 6.838 -2.624 1.00 0.00 H new ATOM 0 HA MET A 57 9.309 5.729 -2.825 1.00 0.00 H new ATOM 0 HB2 MET A 57 7.272 4.389 -2.457 1.00 0.00 H new ATOM 0 HB3 MET A 57 6.609 4.920 -3.990 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.469 3.818 -5.211 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.217 3.352 -3.697 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.828 -0.036 -5.084 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.484 1.328 -6.019 1.00 0.00 H new ATOM 0 HE3 MET A 57 9.253 0.848 -4.488 1.00 0.00 H new ATOM 919 N LEU A 58 7.984 7.010 -5.549 1.00 0.00 N ATOM 920 CA LEU A 58 8.334 7.345 -6.927 1.00 0.00 C ATOM 921 C LEU A 58 8.813 8.787 -7.011 1.00 0.00 C ATOM 922 O LEU A 58 9.533 9.167 -7.934 1.00 0.00 O ATOM 923 CB LEU A 58 7.107 7.146 -7.816 1.00 0.00 C ATOM 924 CG LEU A 58 6.608 5.700 -7.790 1.00 0.00 C ATOM 925 CD1 LEU A 58 5.290 5.614 -8.554 1.00 0.00 C ATOM 926 CD2 LEU A 58 7.620 4.760 -8.440 1.00 0.00 C ATOM 0 H LEU A 58 7.063 7.319 -5.237 1.00 0.00 H new ATOM 0 HA LEU A 58 9.140 6.694 -7.266 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.309 7.811 -7.486 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.352 7.426 -8.840 1.00 0.00 H new ATOM 0 HG LEU A 58 6.470 5.399 -6.751 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.928 4.586 -8.540 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.553 6.265 -8.083 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.446 5.930 -9.586 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.241 3.739 -8.408 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.778 5.056 -9.477 1.00 0.00 H new ATOM 0 HD23 LEU A 58 8.565 4.813 -7.900 1.00 0.00 H new ATOM 938 N GLU A 59 8.425 9.608 -6.052 1.00 0.00 N ATOM 939 CA GLU A 59 8.858 11.003 -6.100 1.00 0.00 C ATOM 940 C GLU A 59 10.017 11.200 -5.136 1.00 0.00 C ATOM 941 O GLU A 59 9.921 11.928 -4.150 1.00 0.00 O ATOM 942 CB GLU A 59 7.699 11.918 -5.710 1.00 0.00 C ATOM 943 CG GLU A 59 6.505 11.734 -6.646 1.00 0.00 C ATOM 944 CD GLU A 59 5.386 12.691 -6.272 1.00 0.00 C ATOM 945 OE1 GLU A 59 5.640 13.912 -6.190 1.00 0.00 O ATOM 946 OE2 GLU A 59 4.244 12.228 -6.058 1.00 0.00 O ATOM 0 H GLU A 59 7.836 9.354 -5.259 1.00 0.00 H new ATOM 0 HA GLU A 59 9.179 11.251 -7.112 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.396 11.707 -4.685 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.028 12.957 -5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.813 11.909 -7.677 1.00 0.00 H new ATOM 0 HG3 GLU A 59 6.147 10.706 -6.591 1.00 0.00 H new