USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 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 22 THR OG1 : rot 180:sc= 0.288 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.97 K(o=-0.68,f=-1.9!) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.217 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -177:sc=-0.00126 (180deg=-0.013) USER MOD Single : A 1 MET N :NH3+ 165:sc= 0.877 (180deg=-0.0327!) USER MOD Single : A 2 GLN : amide:sc= -0.935 K(o=-0.94,f=-0.39) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -142:sc= 0.976 (180deg=-0.892!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= 1.21 (180deg=0.426) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc=-0.00187 (180deg=-0.136) USER MOD Single : A 31 GLN : amide:sc= -0.0419 X(o=-0.042,f=-0.15) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.27) USER MOD Single : A 41 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.56) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.345 X(o=-0.34,f=-0.59) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00484 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -90:sc= 0.289 USER MOD Single : A 60 ASN : amide:sc= -0.0439 X(o=-0.044,f=-0.044) USER MOD Single : A 62 GLN : amide:sc= 0.378 X(o=0.38,f=-0.025) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 66:sc= 1.2 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.661 44.810 -12.400 1.00 0.00 N ATOM 2 CA MET A 1 -5.404 45.163 -11.160 1.00 0.00 C ATOM 3 C MET A 1 -4.418 45.451 -10.052 1.00 0.00 C ATOM 4 O MET A 1 -3.341 44.903 -10.198 1.00 0.00 O ATOM 5 CB MET A 1 -6.389 44.046 -10.740 1.00 0.00 C ATOM 6 CG MET A 1 -5.938 42.999 -9.651 1.00 0.00 C ATOM 7 SD MET A 1 -7.132 41.631 -9.422 1.00 0.00 S ATOM 8 CE MET A 1 -6.028 40.912 -8.189 1.00 0.00 C ATOM 0 H1 MET A 1 -5.312 44.370 -13.082 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.253 45.671 -12.817 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.898 44.142 -12.169 1.00 0.00 H new ATOM 0 HA MET A 1 -6.001 46.053 -11.359 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.297 44.527 -10.377 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.659 43.491 -11.638 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.971 42.584 -9.935 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.798 43.512 -8.700 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.440 39.965 -7.840 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.048 40.739 -8.635 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.928 41.597 -7.347 1.00 0.00 H new ATOM 18 N GLN A 2 -4.798 46.244 -9.018 1.00 0.00 N ATOM 19 CA GLN A 2 -3.836 46.536 -7.960 1.00 0.00 C ATOM 20 C GLN A 2 -3.866 45.536 -6.774 1.00 0.00 C ATOM 21 O GLN A 2 -4.908 44.991 -6.411 1.00 0.00 O ATOM 22 CB GLN A 2 -4.085 47.947 -7.372 1.00 0.00 C ATOM 23 CG GLN A 2 -4.012 49.065 -8.481 1.00 0.00 C ATOM 24 CD GLN A 2 -2.639 49.155 -9.191 1.00 0.00 C ATOM 25 OE1 GLN A 2 -1.788 50.004 -8.881 1.00 0.00 O ATOM 26 NE2 GLN A 2 -2.254 48.284 -10.132 1.00 0.00 N ATOM 0 H GLN A 2 -5.719 46.668 -8.907 1.00 0.00 H new ATOM 0 HA GLN A 2 -2.863 46.459 -8.446 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -5.064 47.974 -6.893 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.346 48.154 -6.598 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.784 48.874 -9.227 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -4.239 50.029 -8.026 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.894 47.554 -10.444 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.320 48.350 -10.537 1.00 0.00 H new ATOM 35 N ILE A 3 -2.704 45.358 -6.160 1.00 0.00 N ATOM 36 CA ILE A 3 -2.553 44.735 -4.790 1.00 0.00 C ATOM 37 C ILE A 3 -1.509 45.560 -4.099 1.00 0.00 C ATOM 38 O ILE A 3 -0.757 46.283 -4.754 1.00 0.00 O ATOM 39 CB ILE A 3 -2.146 43.265 -4.733 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.734 43.032 -5.304 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.152 42.505 -5.583 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.157 41.622 -5.049 1.00 0.00 C ATOM 0 H ILE A 3 -1.814 45.634 -6.576 1.00 0.00 H new ATOM 0 HA ILE A 3 -3.539 44.736 -4.325 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.133 42.930 -3.696 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.758 43.210 -6.379 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.057 43.770 -4.873 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.906 41.443 -5.576 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -4.153 42.648 -5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.119 42.878 -6.606 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.839 41.552 -5.487 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.095 41.443 -3.976 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.807 40.875 -5.505 1.00 0.00 H new ATOM 54 N PHE A 4 -1.472 45.501 -2.779 1.00 0.00 N ATOM 55 CA PHE A 4 -0.419 46.238 -2.062 1.00 0.00 C ATOM 56 C PHE A 4 0.424 45.343 -1.202 1.00 0.00 C ATOM 57 O PHE A 4 -0.099 44.643 -0.360 1.00 0.00 O ATOM 58 CB PHE A 4 -1.033 47.270 -1.089 1.00 0.00 C ATOM 59 CG PHE A 4 -1.889 48.325 -1.786 1.00 0.00 C ATOM 60 CD1 PHE A 4 -3.198 48.487 -1.344 1.00 0.00 C ATOM 61 CD2 PHE A 4 -1.542 48.814 -3.091 1.00 0.00 C ATOM 62 CE1 PHE A 4 -4.136 49.166 -2.097 1.00 0.00 C ATOM 63 CE2 PHE A 4 -2.496 49.554 -3.844 1.00 0.00 C ATOM 64 CZ PHE A 4 -3.806 49.655 -3.367 1.00 0.00 C ATOM 0 H PHE A 4 -2.123 44.978 -2.193 1.00 0.00 H new ATOM 0 HA PHE A 4 0.181 46.706 -2.842 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.643 46.746 -0.353 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.230 47.766 -0.543 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.488 48.072 -0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.561 48.621 -3.499 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.130 49.321 -1.704 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.212 50.031 -4.771 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.568 50.113 -3.981 1.00 0.00 H new ATOM 74 N VAL A 5 1.770 45.345 -1.379 1.00 0.00 N ATOM 75 CA VAL A 5 2.677 44.473 -0.610 1.00 0.00 C ATOM 76 C VAL A 5 3.462 45.393 0.356 1.00 0.00 C ATOM 77 O VAL A 5 4.147 46.346 -0.041 1.00 0.00 O ATOM 78 CB VAL A 5 3.607 43.716 -1.587 1.00 0.00 C ATOM 79 CG1 VAL A 5 4.704 42.981 -0.793 1.00 0.00 C ATOM 80 CG2 VAL A 5 2.724 42.620 -2.283 1.00 0.00 C ATOM 0 H VAL A 5 2.247 45.946 -2.052 1.00 0.00 H new ATOM 0 HA VAL A 5 2.141 43.717 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 5 4.062 44.407 -2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.358 42.448 -1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.288 43.705 -0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.243 42.269 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 5 3.334 42.054 -2.986 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.320 41.945 -1.528 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.904 43.099 -2.818 1.00 0.00 H new ATOM 90 N LYS A 6 3.415 45.125 1.668 1.00 0.00 N ATOM 91 CA LYS A 6 4.014 46.001 2.690 1.00 0.00 C ATOM 92 C LYS A 6 5.134 45.240 3.328 1.00 0.00 C ATOM 93 O LYS A 6 4.919 44.192 3.919 1.00 0.00 O ATOM 94 CB LYS A 6 2.906 46.433 3.712 1.00 0.00 C ATOM 95 CG LYS A 6 3.420 47.082 5.052 1.00 0.00 C ATOM 96 CD LYS A 6 2.231 47.528 5.928 1.00 0.00 C ATOM 97 CE LYS A 6 2.684 48.692 6.926 1.00 0.00 C ATOM 98 NZ LYS A 6 1.622 48.860 7.947 1.00 0.00 N ATOM 0 H LYS A 6 2.962 44.296 2.053 1.00 0.00 H new ATOM 0 HA LYS A 6 4.419 46.919 2.264 1.00 0.00 H new ATOM 0 HB2 LYS A 6 2.241 47.143 3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.308 45.557 3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.033 46.365 5.598 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.055 47.939 4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 6 1.416 47.879 5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 6 1.851 46.679 6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.632 48.439 7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.839 49.623 6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.894 49.614 8.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.729 49.115 7.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.498 47.969 8.468 1.00 0.00 H new ATOM 112 N THR A 7 6.341 45.841 3.302 1.00 0.00 N ATOM 113 CA THR A 7 7.515 45.252 3.908 1.00 0.00 C ATOM 114 C THR A 7 7.409 45.191 5.442 1.00 0.00 C ATOM 115 O THR A 7 6.574 45.945 5.988 1.00 0.00 O ATOM 116 CB THR A 7 8.832 45.907 3.412 1.00 0.00 C ATOM 117 OG1 THR A 7 9.074 47.197 3.981 1.00 0.00 O ATOM 118 CG2 THR A 7 8.743 46.124 1.872 1.00 0.00 C ATOM 0 H THR A 7 6.511 46.744 2.858 1.00 0.00 H new ATOM 0 HA THR A 7 7.557 44.217 3.569 1.00 0.00 H new ATOM 0 HB THR A 7 9.635 45.232 3.708 1.00 0.00 H new ATOM 0 HG1 THR A 7 9.917 47.556 3.632 1.00 0.00 H new ATOM 0 HG21 THR A 7 9.665 46.584 1.516 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.602 45.163 1.377 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.900 46.777 1.645 1.00 0.00 H new ATOM 126 N LEU A 8 8.277 44.323 6.085 1.00 0.00 N ATOM 127 CA LEU A 8 8.358 44.161 7.526 1.00 0.00 C ATOM 128 C LEU A 8 8.703 45.493 8.244 1.00 0.00 C ATOM 129 O LEU A 8 7.974 45.964 9.135 1.00 0.00 O ATOM 130 CB LEU A 8 9.396 43.008 7.804 1.00 0.00 C ATOM 131 CG LEU A 8 9.392 42.613 9.321 1.00 0.00 C ATOM 132 CD1 LEU A 8 8.399 41.423 9.584 1.00 0.00 C ATOM 133 CD2 LEU A 8 10.854 42.247 9.766 1.00 0.00 C ATOM 0 H LEU A 8 8.931 43.727 5.578 1.00 0.00 H new ATOM 0 HA LEU A 8 7.389 43.881 7.941 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.151 42.137 7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 8 10.394 43.332 7.510 1.00 0.00 H new ATOM 0 HG LEU A 8 9.046 43.460 9.914 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.412 41.165 10.643 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.391 41.720 9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.705 40.557 8.996 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.855 41.972 10.821 1.00 0.00 H new ATOM 0 HD22 LEU A 8 11.216 41.408 9.172 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.506 43.107 9.615 1.00 0.00 H new ATOM 145 N THR A 9 9.649 46.248 7.683 1.00 0.00 N ATOM 146 CA THR A 9 9.882 47.619 8.168 1.00 0.00 C ATOM 147 C THR A 9 8.802 48.621 7.789 1.00 0.00 C ATOM 148 O THR A 9 8.603 49.564 8.561 1.00 0.00 O ATOM 149 CB THR A 9 11.250 48.168 7.828 1.00 0.00 C ATOM 150 OG1 THR A 9 11.449 47.954 6.431 1.00 0.00 O ATOM 151 CG2 THR A 9 12.304 47.345 8.603 1.00 0.00 C ATOM 0 H THR A 9 10.252 45.951 6.916 1.00 0.00 H new ATOM 0 HA THR A 9 9.833 47.497 9.250 1.00 0.00 H new ATOM 0 HB THR A 9 11.334 49.224 8.083 1.00 0.00 H new ATOM 0 HG1 THR A 9 12.328 48.299 6.169 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.301 47.722 8.374 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.120 47.434 9.674 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.236 46.298 8.309 1.00 0.00 H new ATOM 159 N GLY A 10 8.126 48.457 6.657 1.00 0.00 N ATOM 160 CA GLY A 10 6.931 49.261 6.452 1.00 0.00 C ATOM 161 C GLY A 10 6.688 49.932 5.097 1.00 0.00 C ATOM 162 O GLY A 10 5.595 50.466 4.841 1.00 0.00 O ATOM 0 H GLY A 10 8.368 47.811 5.905 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.071 48.624 6.658 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.934 50.046 7.208 1.00 0.00 H new ATOM 166 N LYS A 11 7.719 49.936 4.262 1.00 0.00 N ATOM 167 CA LYS A 11 7.636 50.498 2.912 1.00 0.00 C ATOM 168 C LYS A 11 6.514 49.767 2.148 1.00 0.00 C ATOM 169 O LYS A 11 6.245 48.579 2.350 1.00 0.00 O ATOM 170 CB LYS A 11 8.992 50.366 2.147 1.00 0.00 C ATOM 171 CG LYS A 11 9.000 50.887 0.655 1.00 0.00 C ATOM 172 CD LYS A 11 10.439 50.830 0.028 1.00 0.00 C ATOM 173 CE LYS A 11 10.421 51.439 -1.402 1.00 0.00 C ATOM 174 NZ LYS A 11 11.646 51.079 -2.195 1.00 0.00 N ATOM 0 H LYS A 11 8.635 49.552 4.496 1.00 0.00 H new ATOM 0 HA LYS A 11 7.414 51.563 2.984 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.755 50.909 2.705 1.00 0.00 H new ATOM 0 HB3 LYS A 11 9.285 49.316 2.146 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.318 50.285 0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.630 51.912 0.625 1.00 0.00 H new ATOM 0 HD2 LYS A 11 11.140 51.378 0.657 1.00 0.00 H new ATOM 0 HD3 LYS A 11 10.787 49.798 -0.012 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.534 51.090 -1.931 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.344 52.524 -1.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.938 51.894 -2.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 12.416 50.821 -1.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.433 50.273 -2.817 1.00 0.00 H new ATOM 188 N THR A 12 5.804 50.453 1.259 1.00 0.00 N ATOM 189 CA THR A 12 4.609 49.856 0.638 1.00 0.00 C ATOM 190 C THR A 12 4.828 49.822 -0.851 1.00 0.00 C ATOM 191 O THR A 12 4.958 50.868 -1.424 1.00 0.00 O ATOM 192 CB THR A 12 3.417 50.777 0.897 1.00 0.00 C ATOM 193 OG1 THR A 12 3.245 50.944 2.276 1.00 0.00 O ATOM 194 CG2 THR A 12 2.127 50.209 0.288 1.00 0.00 C ATOM 0 H THR A 12 6.021 51.401 0.952 1.00 0.00 H new ATOM 0 HA THR A 12 4.430 48.859 1.041 1.00 0.00 H new ATOM 0 HB THR A 12 3.623 51.738 0.425 1.00 0.00 H new ATOM 0 HG1 THR A 12 2.482 51.536 2.441 1.00 0.00 H new ATOM 0 HG21 THR A 12 1.299 50.888 0.491 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.251 50.099 -0.789 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.914 49.236 0.730 1.00 0.00 H new ATOM 202 N ILE A 13 4.883 48.611 -1.441 1.00 0.00 N ATOM 203 CA ILE A 13 5.160 48.359 -2.827 1.00 0.00 C ATOM 204 C ILE A 13 3.843 48.038 -3.532 1.00 0.00 C ATOM 205 O ILE A 13 3.112 47.109 -3.203 1.00 0.00 O ATOM 206 CB ILE A 13 6.129 47.112 -2.867 1.00 0.00 C ATOM 207 CG1 ILE A 13 7.352 47.215 -1.914 1.00 0.00 C ATOM 208 CG2 ILE A 13 6.572 46.913 -4.348 1.00 0.00 C ATOM 209 CD1 ILE A 13 8.262 48.451 -2.178 1.00 0.00 C ATOM 0 H ILE A 13 4.724 47.751 -0.915 1.00 0.00 H new ATOM 0 HA ILE A 13 5.618 49.214 -3.324 1.00 0.00 H new ATOM 0 HB ILE A 13 5.583 46.245 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.995 47.254 -0.885 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.951 46.309 -2.010 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.244 46.058 -4.415 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.694 46.734 -4.969 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.087 47.808 -4.697 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.092 48.449 -1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.651 48.406 -3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.680 49.364 -2.053 1.00 0.00 H new ATOM 221 N THR A 14 3.498 48.835 -4.570 1.00 0.00 N ATOM 222 CA THR A 14 2.308 48.559 -5.355 1.00 0.00 C ATOM 223 C THR A 14 2.752 47.701 -6.573 1.00 0.00 C ATOM 224 O THR A 14 3.669 48.117 -7.261 1.00 0.00 O ATOM 225 CB THR A 14 1.631 49.826 -5.899 1.00 0.00 C ATOM 226 OG1 THR A 14 1.328 50.771 -4.879 1.00 0.00 O ATOM 227 CG2 THR A 14 0.305 49.360 -6.509 1.00 0.00 C ATOM 0 H THR A 14 4.026 49.656 -4.867 1.00 0.00 H new ATOM 0 HA THR A 14 1.588 48.057 -4.708 1.00 0.00 H new ATOM 0 HB THR A 14 2.301 50.315 -6.606 1.00 0.00 H new ATOM 0 HG1 THR A 14 0.901 51.558 -5.278 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.230 50.218 -6.916 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.503 48.644 -7.306 1.00 0.00 H new ATOM 0 HG23 THR A 14 -0.303 48.886 -5.739 1.00 0.00 H new ATOM 235 N LEU A 15 2.059 46.586 -6.828 1.00 0.00 N ATOM 236 CA LEU A 15 2.238 45.725 -7.995 1.00 0.00 C ATOM 237 C LEU A 15 0.911 45.712 -8.744 1.00 0.00 C ATOM 238 O LEU A 15 -0.108 45.410 -8.154 1.00 0.00 O ATOM 239 CB LEU A 15 2.627 44.298 -7.494 1.00 0.00 C ATOM 240 CG LEU A 15 3.851 44.361 -6.544 1.00 0.00 C ATOM 241 CD1 LEU A 15 4.227 42.924 -6.058 1.00 0.00 C ATOM 242 CD2 LEU A 15 5.062 44.967 -7.316 1.00 0.00 C ATOM 0 H LEU A 15 1.330 46.248 -6.200 1.00 0.00 H new ATOM 0 HA LEU A 15 3.026 46.078 -8.660 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.781 43.847 -6.975 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.856 43.658 -8.347 1.00 0.00 H new ATOM 0 HG LEU A 15 3.604 44.980 -5.681 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.088 42.979 -5.391 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.382 42.488 -5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 15 4.474 42.302 -6.918 1.00 0.00 H new ATOM 0 HD21 LEU A 15 5.928 45.015 -6.655 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.296 44.339 -8.176 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.810 45.971 -7.658 1.00 0.00 H new ATOM 254 N GLU A 16 0.978 46.096 -10.020 1.00 0.00 N ATOM 255 CA GLU A 16 -0.031 45.708 -11.014 1.00 0.00 C ATOM 256 C GLU A 16 0.129 44.244 -11.416 1.00 0.00 C ATOM 257 O GLU A 16 1.225 43.743 -11.763 1.00 0.00 O ATOM 258 CB GLU A 16 0.067 46.652 -12.261 1.00 0.00 C ATOM 259 CG GLU A 16 -0.587 46.113 -13.567 1.00 0.00 C ATOM 260 CD GLU A 16 -2.079 45.913 -13.503 1.00 0.00 C ATOM 261 OE1 GLU A 16 -2.797 46.708 -12.902 1.00 0.00 O ATOM 262 OE2 GLU A 16 -2.529 44.975 -14.159 1.00 0.00 O ATOM 0 H GLU A 16 1.726 46.680 -10.394 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.021 45.815 -10.571 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.398 47.605 -12.010 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.120 46.854 -12.460 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.364 46.806 -14.378 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.120 45.162 -13.822 1.00 0.00 H new ATOM 269 N VAL A 17 -1.025 43.512 -11.302 1.00 0.00 N ATOM 270 CA VAL A 17 -1.051 42.130 -11.455 1.00 0.00 C ATOM 271 C VAL A 17 -2.385 41.700 -11.983 1.00 0.00 C ATOM 272 O VAL A 17 -3.386 42.379 -11.898 1.00 0.00 O ATOM 273 CB VAL A 17 -0.883 41.517 -10.027 1.00 0.00 C ATOM 274 CG1 VAL A 17 0.473 41.843 -9.374 1.00 0.00 C ATOM 275 CG2 VAL A 17 -1.959 41.900 -8.927 1.00 0.00 C ATOM 0 H VAL A 17 -1.936 43.924 -11.099 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.268 41.808 -12.142 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.001 40.464 -10.281 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.520 41.386 -8.386 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.279 41.451 -9.994 1.00 0.00 H new ATOM 0 HG13 VAL A 17 0.581 42.924 -9.280 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.714 41.402 -7.989 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.956 42.979 -8.776 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.948 41.582 -9.259 1.00 0.00 H new ATOM 285 N GLU A 18 -2.385 40.470 -12.424 1.00 0.00 N ATOM 286 CA GLU A 18 -3.613 39.805 -12.796 1.00 0.00 C ATOM 287 C GLU A 18 -4.036 38.738 -11.754 1.00 0.00 C ATOM 288 O GLU A 18 -3.186 38.392 -10.939 1.00 0.00 O ATOM 289 CB GLU A 18 -3.451 39.167 -14.201 1.00 0.00 C ATOM 290 CG GLU A 18 -3.432 40.258 -15.289 1.00 0.00 C ATOM 291 CD GLU A 18 -3.406 39.532 -16.644 1.00 0.00 C ATOM 292 OE1 GLU A 18 -4.361 39.702 -17.410 1.00 0.00 O ATOM 293 OE2 GLU A 18 -2.454 38.786 -16.844 1.00 0.00 O ATOM 0 H GLU A 18 -1.545 39.903 -12.536 1.00 0.00 H new ATOM 0 HA GLU A 18 -4.408 40.551 -12.824 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.527 38.589 -14.240 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -4.270 38.472 -14.388 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.311 40.898 -15.210 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.558 40.900 -15.177 1.00 0.00 H new ATOM 300 N PRO A 19 -5.312 38.247 -11.676 1.00 0.00 N ATOM 301 CA PRO A 19 -5.723 37.296 -10.581 1.00 0.00 C ATOM 302 C PRO A 19 -5.140 35.900 -10.745 1.00 0.00 C ATOM 303 O PRO A 19 -5.139 35.148 -9.788 1.00 0.00 O ATOM 304 CB PRO A 19 -7.288 37.265 -10.593 1.00 0.00 C ATOM 305 CG PRO A 19 -7.741 38.547 -11.294 1.00 0.00 C ATOM 306 CD PRO A 19 -6.552 38.763 -12.318 1.00 0.00 C ATOM 0 HA PRO A 19 -5.332 37.644 -9.625 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.655 36.384 -11.120 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.683 37.217 -9.578 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.701 38.426 -11.796 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.846 39.382 -10.601 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.749 38.236 -13.251 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -6.445 39.819 -12.565 1.00 0.00 H new ATOM 314 N SER A 20 -4.616 35.645 -11.938 1.00 0.00 N ATOM 315 CA SER A 20 -3.879 34.394 -12.326 1.00 0.00 C ATOM 316 C SER A 20 -2.350 34.596 -12.188 1.00 0.00 C ATOM 317 O SER A 20 -1.571 33.694 -12.543 1.00 0.00 O ATOM 318 CB SER A 20 -4.233 33.895 -13.746 1.00 0.00 C ATOM 319 OG SER A 20 -4.187 35.000 -14.682 1.00 0.00 O ATOM 0 H SER A 20 -4.681 36.312 -12.707 1.00 0.00 H new ATOM 0 HA SER A 20 -4.204 33.618 -11.633 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.533 33.118 -14.053 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.227 33.448 -13.747 1.00 0.00 H new ATOM 0 HG SER A 20 -4.410 34.678 -15.580 1.00 0.00 H new ATOM 325 N ASP A 21 -1.859 35.735 -11.589 1.00 0.00 N ATOM 326 CA ASP A 21 -0.450 35.826 -11.170 1.00 0.00 C ATOM 327 C ASP A 21 -0.180 35.016 -9.870 1.00 0.00 C ATOM 328 O ASP A 21 -0.971 35.057 -8.945 1.00 0.00 O ATOM 329 CB ASP A 21 -0.124 37.323 -11.005 1.00 0.00 C ATOM 330 CG ASP A 21 -0.047 38.091 -12.364 1.00 0.00 C ATOM 331 OD1 ASP A 21 0.064 39.338 -12.367 1.00 0.00 O ATOM 332 OD2 ASP A 21 -0.106 37.454 -13.397 1.00 0.00 O ATOM 0 H ASP A 21 -2.415 36.569 -11.399 1.00 0.00 H new ATOM 0 HA ASP A 21 0.203 35.382 -11.922 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.884 37.786 -10.376 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.827 37.425 -10.483 1.00 0.00 H new ATOM 337 N THR A 22 0.930 34.220 -9.790 1.00 0.00 N ATOM 338 CA THR A 22 1.221 33.380 -8.626 1.00 0.00 C ATOM 339 C THR A 22 1.907 34.130 -7.485 1.00 0.00 C ATOM 340 O THR A 22 2.528 35.207 -7.553 1.00 0.00 O ATOM 341 CB THR A 22 2.156 32.184 -8.963 1.00 0.00 C ATOM 342 OG1 THR A 22 3.321 32.550 -9.711 1.00 0.00 O ATOM 343 CG2 THR A 22 1.296 31.277 -9.830 1.00 0.00 C ATOM 0 H THR A 22 1.629 34.156 -10.530 1.00 0.00 H new ATOM 0 HA THR A 22 0.233 33.037 -8.319 1.00 0.00 H new ATOM 0 HB THR A 22 2.527 31.734 -8.042 1.00 0.00 H new ATOM 0 HG1 THR A 22 3.862 31.752 -9.885 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.872 30.399 -10.121 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.416 30.964 -9.268 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.983 31.817 -10.723 1.00 0.00 H new ATOM 351 N ILE A 23 1.854 33.468 -6.324 1.00 0.00 N ATOM 352 CA ILE A 23 2.660 33.946 -5.204 1.00 0.00 C ATOM 353 C ILE A 23 4.149 33.918 -5.629 1.00 0.00 C ATOM 354 O ILE A 23 4.759 34.979 -5.464 1.00 0.00 O ATOM 355 CB ILE A 23 2.404 33.116 -3.963 1.00 0.00 C ATOM 356 CG1 ILE A 23 0.916 33.193 -3.548 1.00 0.00 C ATOM 357 CG2 ILE A 23 3.382 33.582 -2.821 1.00 0.00 C ATOM 358 CD1 ILE A 23 0.392 34.650 -3.195 1.00 0.00 C ATOM 0 H ILE A 23 1.289 32.639 -6.142 1.00 0.00 H new ATOM 0 HA ILE A 23 2.384 34.969 -4.950 1.00 0.00 H new ATOM 0 HB ILE A 23 2.606 32.065 -4.168 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.307 32.791 -4.358 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.762 32.548 -2.683 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.203 32.989 -1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 23 4.413 33.446 -3.147 1.00 0.00 H new ATOM 0 HG23 ILE A 23 3.208 34.635 -2.600 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -0.661 34.601 -2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 23 0.969 35.052 -2.362 1.00 0.00 H new ATOM 0 HD13 ILE A 23 0.507 35.298 -4.063 1.00 0.00 H new ATOM 370 N GLU A 24 4.678 32.832 -6.283 1.00 0.00 N ATOM 371 CA GLU A 24 6.018 32.826 -6.937 1.00 0.00 C ATOM 372 C GLU A 24 6.263 34.010 -7.870 1.00 0.00 C ATOM 373 O GLU A 24 7.348 34.587 -7.786 1.00 0.00 O ATOM 374 CB GLU A 24 6.194 31.441 -7.575 1.00 0.00 C ATOM 375 CG GLU A 24 7.405 31.406 -8.567 1.00 0.00 C ATOM 376 CD GLU A 24 7.755 29.984 -9.065 1.00 0.00 C ATOM 377 OE1 GLU A 24 7.867 29.829 -10.291 1.00 0.00 O ATOM 378 OE2 GLU A 24 8.027 29.142 -8.197 1.00 0.00 O ATOM 0 H GLU A 24 4.184 31.944 -6.367 1.00 0.00 H new ATOM 0 HA GLU A 24 6.803 32.981 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.344 30.697 -6.793 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.282 31.167 -8.105 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.179 32.038 -9.426 1.00 0.00 H new ATOM 0 HG3 GLU A 24 8.278 31.836 -8.077 1.00 0.00 H new ATOM 385 N ASN A 25 5.274 34.421 -8.652 1.00 0.00 N ATOM 386 CA ASN A 25 5.421 35.599 -9.517 1.00 0.00 C ATOM 387 C ASN A 25 5.595 36.878 -8.710 1.00 0.00 C ATOM 388 O ASN A 25 6.426 37.685 -9.074 1.00 0.00 O ATOM 389 CB ASN A 25 4.218 35.772 -10.501 1.00 0.00 C ATOM 390 CG ASN A 25 4.110 34.705 -11.611 1.00 0.00 C ATOM 391 OD1 ASN A 25 2.974 34.463 -12.143 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.208 34.112 -11.971 1.00 0.00 N ATOM 0 H ASN A 25 4.364 33.964 -8.710 1.00 0.00 H new ATOM 0 HA ASN A 25 6.323 35.421 -10.102 1.00 0.00 H new ATOM 0 HB2 ASN A 25 3.294 35.765 -9.923 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.293 36.753 -10.970 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.190 33.413 -12.714 1.00 0.00 H new ATOM 0 HD22 ASN A 25 6.088 34.345 -11.511 1.00 0.00 H new ATOM 399 N VAL A 26 4.788 37.105 -7.668 1.00 0.00 N ATOM 400 CA VAL A 26 4.941 38.290 -6.795 1.00 0.00 C ATOM 401 C VAL A 26 6.321 38.344 -6.003 1.00 0.00 C ATOM 402 O VAL A 26 6.956 39.413 -5.960 1.00 0.00 O ATOM 403 CB VAL A 26 3.691 38.377 -5.907 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.901 39.570 -4.893 1.00 0.00 C ATOM 405 CG2 VAL A 26 2.459 38.636 -6.829 1.00 0.00 C ATOM 0 H VAL A 26 4.020 36.488 -7.403 1.00 0.00 H new ATOM 0 HA VAL A 26 5.005 39.188 -7.409 1.00 0.00 H new ATOM 0 HB VAL A 26 3.524 37.457 -5.346 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.027 39.657 -4.247 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.785 39.379 -4.284 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.036 40.499 -5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.557 38.702 -6.221 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.600 39.571 -7.371 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.358 37.816 -7.540 1.00 0.00 H new ATOM 415 N LYS A 27 6.816 37.174 -5.485 1.00 0.00 N ATOM 416 CA LYS A 27 8.174 37.035 -4.939 1.00 0.00 C ATOM 417 C LYS A 27 9.209 37.434 -6.046 1.00 0.00 C ATOM 418 O LYS A 27 10.166 38.166 -5.738 1.00 0.00 O ATOM 419 CB LYS A 27 8.326 35.580 -4.374 1.00 0.00 C ATOM 420 CG LYS A 27 7.540 35.481 -3.029 1.00 0.00 C ATOM 421 CD LYS A 27 7.575 33.982 -2.625 1.00 0.00 C ATOM 422 CE LYS A 27 6.908 33.722 -1.271 1.00 0.00 C ATOM 423 NZ LYS A 27 7.375 32.412 -0.745 1.00 0.00 N ATOM 0 H LYS A 27 6.271 36.313 -5.443 1.00 0.00 H new ATOM 0 HA LYS A 27 8.368 37.708 -4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.942 34.854 -5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.378 35.344 -4.215 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.000 36.103 -2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.514 35.829 -3.150 1.00 0.00 H new ATOM 0 HD2 LYS A 27 7.075 33.391 -3.392 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.610 33.644 -2.587 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.156 34.519 -0.570 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.823 33.719 -1.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.605 31.956 -0.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.659 31.801 -1.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.189 32.561 -0.114 1.00 0.00 H new ATOM 437 N ALA A 28 9.002 37.048 -7.354 1.00 0.00 N ATOM 438 CA ALA A 28 9.839 37.498 -8.496 1.00 0.00 C ATOM 439 C ALA A 28 9.769 39.018 -8.878 1.00 0.00 C ATOM 440 O ALA A 28 10.826 39.660 -9.087 1.00 0.00 O ATOM 441 CB ALA A 28 9.466 36.542 -9.670 1.00 0.00 C ATOM 0 H ALA A 28 8.249 36.418 -7.630 1.00 0.00 H new ATOM 0 HA ALA A 28 10.890 37.432 -8.214 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.044 36.810 -10.555 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.691 35.514 -9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.402 36.634 -9.890 1.00 0.00 H new ATOM 447 N LYS A 29 8.557 39.523 -8.780 1.00 0.00 N ATOM 448 CA LYS A 29 8.245 41.001 -8.776 1.00 0.00 C ATOM 449 C LYS A 29 8.900 41.798 -7.602 1.00 0.00 C ATOM 450 O LYS A 29 9.497 42.855 -7.851 1.00 0.00 O ATOM 451 CB LYS A 29 6.706 41.184 -8.863 1.00 0.00 C ATOM 452 CG LYS A 29 6.184 40.849 -10.282 1.00 0.00 C ATOM 453 CD LYS A 29 4.653 40.713 -10.200 1.00 0.00 C ATOM 454 CE LYS A 29 4.082 40.243 -11.569 1.00 0.00 C ATOM 455 NZ LYS A 29 4.290 41.332 -12.578 1.00 0.00 N ATOM 0 H LYS A 29 7.725 38.939 -8.698 1.00 0.00 H new ATOM 0 HA LYS A 29 8.710 41.446 -9.656 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.218 40.540 -8.131 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.444 42.211 -8.609 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.461 41.634 -10.986 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.631 39.923 -10.645 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.385 39.999 -9.421 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.210 41.669 -9.922 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.580 39.329 -11.892 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.021 40.012 -11.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.767 41.104 -13.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.944 42.234 -12.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.304 41.415 -12.795 1.00 0.00 H new ATOM 469 N ILE A 30 8.981 41.255 -6.373 1.00 0.00 N ATOM 470 CA ILE A 30 9.757 41.885 -5.293 1.00 0.00 C ATOM 471 C ILE A 30 11.249 41.878 -5.608 1.00 0.00 C ATOM 472 O ILE A 30 11.897 42.890 -5.260 1.00 0.00 O ATOM 473 CB ILE A 30 9.417 41.278 -3.928 1.00 0.00 C ATOM 474 CG1 ILE A 30 7.938 41.605 -3.556 1.00 0.00 C ATOM 475 CG2 ILE A 30 10.371 41.779 -2.834 1.00 0.00 C ATOM 476 CD1 ILE A 30 7.745 43.137 -3.313 1.00 0.00 C ATOM 0 H ILE A 30 8.520 40.385 -6.106 1.00 0.00 H new ATOM 0 HA ILE A 30 9.467 42.934 -5.230 1.00 0.00 H new ATOM 0 HB ILE A 30 9.539 40.197 -3.998 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.277 41.274 -4.357 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.654 41.053 -2.660 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.100 41.327 -1.880 1.00 0.00 H new ATOM 0 HG22 ILE A 30 11.394 41.502 -3.089 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.298 42.864 -2.756 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.705 43.336 -3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.390 43.460 -2.495 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.006 43.685 -4.219 1.00 0.00 H new ATOM 488 N GLN A 31 11.756 40.748 -6.178 1.00 0.00 N ATOM 489 CA GLN A 31 13.138 40.624 -6.736 1.00 0.00 C ATOM 490 C GLN A 31 13.405 41.683 -7.807 1.00 0.00 C ATOM 491 O GLN A 31 14.459 42.326 -7.718 1.00 0.00 O ATOM 492 CB GLN A 31 13.382 39.132 -7.175 1.00 0.00 C ATOM 493 CG GLN A 31 14.674 38.790 -8.048 1.00 0.00 C ATOM 494 CD GLN A 31 16.005 39.298 -7.504 1.00 0.00 C ATOM 495 OE1 GLN A 31 16.386 39.260 -6.309 1.00 0.00 O ATOM 496 NE2 GLN A 31 16.683 40.006 -8.350 1.00 0.00 N ATOM 0 H GLN A 31 11.213 39.889 -6.265 1.00 0.00 H new ATOM 0 HA GLN A 31 13.886 40.841 -5.974 1.00 0.00 H new ATOM 0 HB2 GLN A 31 13.424 38.524 -6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 31 12.507 38.806 -7.738 1.00 0.00 H new ATOM 0 HG2 GLN A 31 14.738 37.707 -8.156 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.532 39.202 -9.047 1.00 0.00 H new ATOM 0 HE21 GLN A 31 16.391 40.051 -9.326 1.00 0.00 H new ATOM 0 HE22 GLN A 31 17.509 40.518 -8.040 1.00 0.00 H new ATOM 505 N ASP A 32 12.431 41.918 -8.698 1.00 0.00 N ATOM 506 CA ASP A 32 12.539 43.068 -9.603 1.00 0.00 C ATOM 507 C ASP A 32 12.528 44.405 -8.897 1.00 0.00 C ATOM 508 O ASP A 32 13.335 45.238 -9.283 1.00 0.00 O ATOM 509 CB ASP A 32 11.410 42.897 -10.623 1.00 0.00 C ATOM 510 CG ASP A 32 11.320 43.950 -11.778 1.00 0.00 C ATOM 511 OD1 ASP A 32 10.434 43.773 -12.631 1.00 0.00 O ATOM 512 OD2 ASP A 32 12.027 44.946 -11.739 1.00 0.00 O ATOM 0 H ASP A 32 11.591 41.351 -8.810 1.00 0.00 H new ATOM 0 HA ASP A 32 13.510 43.081 -10.098 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.509 41.910 -11.074 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.463 42.907 -10.083 1.00 0.00 H new ATOM 517 N LYS A 33 11.626 44.673 -7.975 1.00 0.00 N ATOM 518 CA LYS A 33 11.496 45.984 -7.271 1.00 0.00 C ATOM 519 C LYS A 33 12.637 46.303 -6.299 1.00 0.00 C ATOM 520 O LYS A 33 13.152 47.411 -6.388 1.00 0.00 O ATOM 521 CB LYS A 33 10.129 45.991 -6.573 1.00 0.00 C ATOM 522 CG LYS A 33 8.977 46.301 -7.555 1.00 0.00 C ATOM 523 CD LYS A 33 8.920 47.851 -7.889 1.00 0.00 C ATOM 524 CE LYS A 33 7.843 48.237 -8.896 1.00 0.00 C ATOM 525 NZ LYS A 33 7.821 47.459 -10.166 1.00 0.00 N ATOM 0 H LYS A 33 10.936 43.987 -7.670 1.00 0.00 H new ATOM 0 HA LYS A 33 11.567 46.781 -8.011 1.00 0.00 H new ATOM 0 HB2 LYS A 33 9.956 45.021 -6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 33 10.134 46.733 -5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.114 45.732 -8.474 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.029 45.983 -7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.752 48.404 -6.965 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.890 48.163 -8.275 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.871 48.134 -8.414 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.966 49.292 -9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 7.051 47.806 -10.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 8.729 47.574 -10.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.667 46.452 -9.954 1.00 0.00 H new ATOM 539 N GLU A 34 13.003 45.393 -5.351 1.00 0.00 N ATOM 540 CA GLU A 34 13.853 45.769 -4.194 1.00 0.00 C ATOM 541 C GLU A 34 15.144 44.939 -4.106 1.00 0.00 C ATOM 542 O GLU A 34 15.962 45.245 -3.224 1.00 0.00 O ATOM 543 CB GLU A 34 13.078 45.542 -2.864 1.00 0.00 C ATOM 544 CG GLU A 34 11.831 46.476 -2.701 1.00 0.00 C ATOM 545 CD GLU A 34 12.215 47.957 -2.532 1.00 0.00 C ATOM 546 OE1 GLU A 34 12.246 48.809 -3.481 1.00 0.00 O ATOM 547 OE2 GLU A 34 12.377 48.297 -1.390 1.00 0.00 O ATOM 0 H GLU A 34 12.726 44.412 -5.368 1.00 0.00 H new ATOM 0 HA GLU A 34 14.111 46.818 -4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.753 44.503 -2.815 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.755 45.704 -2.026 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.186 46.370 -3.573 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.252 46.154 -1.835 1.00 0.00 H new ATOM 554 N GLY A 35 15.360 43.885 -4.952 1.00 0.00 N ATOM 555 CA GLY A 35 16.550 43.045 -4.856 1.00 0.00 C ATOM 556 C GLY A 35 16.518 42.010 -3.730 1.00 0.00 C ATOM 557 O GLY A 35 17.606 41.603 -3.311 1.00 0.00 O ATOM 0 H GLY A 35 14.717 43.616 -5.697 1.00 0.00 H new ATOM 0 HA2 GLY A 35 16.687 42.525 -5.804 1.00 0.00 H new ATOM 0 HA3 GLY A 35 17.420 43.687 -4.715 1.00 0.00 H new ATOM 561 N ILE A 36 15.317 41.402 -3.337 1.00 0.00 N ATOM 562 CA ILE A 36 15.311 40.345 -2.328 1.00 0.00 C ATOM 563 C ILE A 36 15.214 38.983 -3.094 1.00 0.00 C ATOM 564 O ILE A 36 14.224 38.871 -3.842 1.00 0.00 O ATOM 565 CB ILE A 36 14.067 40.483 -1.392 1.00 0.00 C ATOM 566 CG1 ILE A 36 14.079 41.896 -0.742 1.00 0.00 C ATOM 567 CG2 ILE A 36 14.020 39.309 -0.339 1.00 0.00 C ATOM 568 CD1 ILE A 36 12.889 42.173 0.249 1.00 0.00 C ATOM 0 H ILE A 36 14.399 41.643 -3.711 1.00 0.00 H new ATOM 0 HA ILE A 36 16.211 40.406 -1.716 1.00 0.00 H new ATOM 0 HB ILE A 36 13.147 40.393 -1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 36 15.019 42.026 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 36 14.057 42.645 -1.533 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.145 39.428 0.300 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.960 38.354 -0.861 1.00 0.00 H new ATOM 0 HG23 ILE A 36 14.922 39.332 0.273 1.00 0.00 H new ATOM 0 HD11 ILE A 36 12.979 43.181 0.653 1.00 0.00 H new ATOM 0 HD12 ILE A 36 11.943 42.079 -0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 36 12.919 41.451 1.065 1.00 0.00 H new ATOM 580 N PRO A 37 16.131 38.044 -2.926 1.00 0.00 N ATOM 581 CA PRO A 37 15.944 36.731 -3.645 1.00 0.00 C ATOM 582 C PRO A 37 14.562 36.010 -3.434 1.00 0.00 C ATOM 583 O PRO A 37 14.049 36.064 -2.347 1.00 0.00 O ATOM 584 CB PRO A 37 17.219 35.914 -3.231 1.00 0.00 C ATOM 585 CG PRO A 37 18.230 36.970 -2.736 1.00 0.00 C ATOM 586 CD PRO A 37 17.413 38.131 -2.175 1.00 0.00 C ATOM 0 HA PRO A 37 15.873 36.865 -4.724 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.988 35.192 -2.448 1.00 0.00 H new ATOM 0 HB3 PRO A 37 17.618 35.351 -4.075 1.00 0.00 H new ATOM 0 HG2 PRO A 37 18.883 36.551 -1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 37 18.870 37.306 -3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 37 17.257 38.031 -1.101 1.00 0.00 H new ATOM 0 HD3 PRO A 37 17.910 39.088 -2.337 1.00 0.00 H new ATOM 594 N PRO A 38 13.912 35.384 -4.413 1.00 0.00 N ATOM 595 CA PRO A 38 12.576 34.723 -4.191 1.00 0.00 C ATOM 596 C PRO A 38 12.438 33.752 -3.029 1.00 0.00 C ATOM 597 O PRO A 38 11.436 33.761 -2.339 1.00 0.00 O ATOM 598 CB PRO A 38 12.323 34.103 -5.601 1.00 0.00 C ATOM 599 CG PRO A 38 12.880 35.077 -6.586 1.00 0.00 C ATOM 600 CD PRO A 38 14.186 35.529 -5.886 1.00 0.00 C ATOM 0 HA PRO A 38 11.822 35.433 -3.850 1.00 0.00 H new ATOM 0 HB2 PRO A 38 12.811 33.133 -5.694 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.258 33.942 -5.771 1.00 0.00 H new ATOM 0 HG2 PRO A 38 13.074 34.614 -7.553 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.202 35.912 -6.763 1.00 0.00 H new ATOM 0 HD2 PRO A 38 15.031 34.913 -6.192 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.434 36.559 -6.141 1.00 0.00 H new ATOM 608 N ASP A 39 13.496 33.003 -2.848 1.00 0.00 N ATOM 609 CA ASP A 39 13.623 31.962 -1.839 1.00 0.00 C ATOM 610 C ASP A 39 14.061 32.568 -0.498 1.00 0.00 C ATOM 611 O ASP A 39 14.157 31.865 0.508 1.00 0.00 O ATOM 612 CB ASP A 39 14.610 30.842 -2.344 1.00 0.00 C ATOM 613 CG ASP A 39 16.006 31.288 -2.864 1.00 0.00 C ATOM 614 OD1 ASP A 39 16.980 30.504 -2.687 1.00 0.00 O ATOM 615 OD2 ASP A 39 16.066 32.264 -3.606 1.00 0.00 O ATOM 0 H ASP A 39 14.334 33.100 -3.421 1.00 0.00 H new ATOM 0 HA ASP A 39 12.653 31.492 -1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 39 14.766 30.139 -1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 39 14.113 30.294 -3.145 1.00 0.00 H new ATOM 620 N GLN A 40 14.240 33.917 -0.440 1.00 0.00 N ATOM 621 CA GLN A 40 14.512 34.617 0.835 1.00 0.00 C ATOM 622 C GLN A 40 13.281 35.437 1.325 1.00 0.00 C ATOM 623 O GLN A 40 13.451 36.555 1.840 1.00 0.00 O ATOM 624 CB GLN A 40 15.757 35.593 0.724 1.00 0.00 C ATOM 625 CG GLN A 40 17.173 34.962 0.661 1.00 0.00 C ATOM 626 CD GLN A 40 17.306 34.009 1.804 1.00 0.00 C ATOM 627 OE1 GLN A 40 17.644 32.841 1.582 1.00 0.00 O ATOM 628 NE2 GLN A 40 17.138 34.402 3.030 1.00 0.00 N ATOM 0 H GLN A 40 14.200 34.530 -1.254 1.00 0.00 H new ATOM 0 HA GLN A 40 14.733 33.833 1.559 1.00 0.00 H new ATOM 0 HB2 GLN A 40 15.624 36.204 -0.169 1.00 0.00 H new ATOM 0 HB3 GLN A 40 15.730 36.268 1.580 1.00 0.00 H new ATOM 0 HG2 GLN A 40 17.317 34.443 -0.287 1.00 0.00 H new ATOM 0 HG3 GLN A 40 17.938 35.736 0.720 1.00 0.00 H new ATOM 0 HE21 GLN A 40 16.859 35.364 3.224 1.00 0.00 H new ATOM 0 HE22 GLN A 40 17.285 33.749 3.800 1.00 0.00 H new ATOM 637 N GLN A 41 12.041 34.986 1.000 1.00 0.00 N ATOM 638 CA GLN A 41 10.794 35.733 1.244 1.00 0.00 C ATOM 639 C GLN A 41 9.739 34.810 1.819 1.00 0.00 C ATOM 640 O GLN A 41 9.598 33.606 1.509 1.00 0.00 O ATOM 641 CB GLN A 41 10.190 36.339 -0.047 1.00 0.00 C ATOM 642 CG GLN A 41 11.102 37.491 -0.556 1.00 0.00 C ATOM 643 CD GLN A 41 10.510 38.240 -1.750 1.00 0.00 C ATOM 644 OE1 GLN A 41 9.320 38.606 -1.675 1.00 0.00 O ATOM 645 NE2 GLN A 41 11.205 38.482 -2.852 1.00 0.00 N ATOM 0 H GLN A 41 11.885 34.081 0.556 1.00 0.00 H new ATOM 0 HA GLN A 41 11.060 36.536 1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.096 35.569 -0.813 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.186 36.716 0.151 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.276 38.195 0.257 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.073 37.082 -0.836 1.00 0.00 H new ATOM 0 HE21 GLN A 41 12.178 38.184 -2.917 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.767 38.966 -3.635 1.00 0.00 H new ATOM 654 N ARG A 42 8.849 35.424 2.570 1.00 0.00 N ATOM 655 CA ARG A 42 7.633 34.811 2.870 1.00 0.00 C ATOM 656 C ARG A 42 6.597 35.946 2.806 1.00 0.00 C ATOM 657 O ARG A 42 6.904 37.115 3.049 1.00 0.00 O ATOM 658 CB ARG A 42 7.633 34.183 4.256 1.00 0.00 C ATOM 659 CG ARG A 42 8.506 32.902 4.395 1.00 0.00 C ATOM 660 CD ARG A 42 7.882 31.804 3.471 1.00 0.00 C ATOM 661 NE ARG A 42 8.549 30.507 3.628 1.00 0.00 N ATOM 662 CZ ARG A 42 9.668 30.147 3.008 1.00 0.00 C ATOM 663 NH1 ARG A 42 10.305 30.929 2.152 1.00 0.00 N ATOM 664 NH2 ARG A 42 10.224 29.015 3.317 1.00 0.00 N ATOM 0 H ARG A 42 8.974 36.353 2.972 1.00 0.00 H new ATOM 0 HA ARG A 42 7.422 33.998 2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.984 34.924 4.975 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.606 33.937 4.527 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.536 33.107 4.105 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.528 32.564 5.431 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.822 31.696 3.701 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.951 32.123 2.431 1.00 0.00 H new ATOM 0 HE ARG A 42 8.122 29.831 4.261 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.940 31.858 1.941 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.161 30.603 1.703 1.00 0.00 H new ATOM 0 HH21 ARG A 42 9.802 28.416 4.027 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.083 28.725 2.850 1.00 0.00 H new ATOM 678 N LEU A 43 5.366 35.614 2.362 1.00 0.00 N ATOM 679 CA LEU A 43 4.279 36.600 2.157 1.00 0.00 C ATOM 680 C LEU A 43 3.107 36.130 3.003 1.00 0.00 C ATOM 681 O LEU A 43 2.635 35.004 2.801 1.00 0.00 O ATOM 682 CB LEU A 43 3.865 36.810 0.615 1.00 0.00 C ATOM 683 CG LEU A 43 5.022 37.206 -0.374 1.00 0.00 C ATOM 684 CD1 LEU A 43 4.390 37.566 -1.758 1.00 0.00 C ATOM 685 CD2 LEU A 43 5.871 38.371 0.101 1.00 0.00 C ATOM 0 H LEU A 43 5.096 34.657 2.135 1.00 0.00 H new ATOM 0 HA LEU A 43 4.624 37.587 2.464 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.409 35.887 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.098 37.583 0.570 1.00 0.00 H new ATOM 0 HG LEU A 43 5.690 36.347 -0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 43 5.179 37.843 -2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 43 3.848 36.703 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.702 38.402 -1.637 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.646 38.581 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.242 39.252 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.336 38.118 1.054 1.00 0.00 H new ATOM 697 N ILE A 44 2.687 36.990 3.983 1.00 0.00 N ATOM 698 CA ILE A 44 1.585 36.690 4.873 1.00 0.00 C ATOM 699 C ILE A 44 0.324 37.494 4.456 1.00 0.00 C ATOM 700 O ILE A 44 0.427 38.497 3.779 1.00 0.00 O ATOM 701 CB ILE A 44 2.070 36.928 6.342 1.00 0.00 C ATOM 702 CG1 ILE A 44 3.442 36.167 6.650 1.00 0.00 C ATOM 703 CG2 ILE A 44 0.931 36.463 7.357 1.00 0.00 C ATOM 704 CD1 ILE A 44 3.872 36.315 8.140 1.00 0.00 C ATOM 0 H ILE A 44 3.119 37.898 4.154 1.00 0.00 H new ATOM 0 HA ILE A 44 1.277 35.646 4.807 1.00 0.00 H new ATOM 0 HB ILE A 44 2.262 37.993 6.469 1.00 0.00 H new ATOM 0 HG12 ILE A 44 3.332 35.110 6.408 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.228 36.561 6.005 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.267 36.628 8.381 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.024 37.040 7.175 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.723 35.403 7.210 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.809 35.782 8.303 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.009 37.370 8.376 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.100 35.896 8.785 1.00 0.00 H new ATOM 716 N PHE A 45 -0.869 36.991 4.825 1.00 0.00 N ATOM 717 CA PHE A 45 -2.153 37.582 4.448 1.00 0.00 C ATOM 718 C PHE A 45 -3.149 37.096 5.465 1.00 0.00 C ATOM 719 O PHE A 45 -3.402 35.920 5.532 1.00 0.00 O ATOM 720 CB PHE A 45 -2.525 37.159 3.000 1.00 0.00 C ATOM 721 CG PHE A 45 -3.852 37.701 2.482 1.00 0.00 C ATOM 722 CD1 PHE A 45 -4.019 39.102 2.292 1.00 0.00 C ATOM 723 CD2 PHE A 45 -4.930 36.845 2.321 1.00 0.00 C ATOM 724 CE1 PHE A 45 -5.307 39.539 1.918 1.00 0.00 C ATOM 725 CE2 PHE A 45 -6.171 37.305 1.879 1.00 0.00 C ATOM 726 CZ PHE A 45 -6.364 38.666 1.700 1.00 0.00 C ATOM 0 H PHE A 45 -0.962 36.153 5.400 1.00 0.00 H new ATOM 0 HA PHE A 45 -2.127 38.672 4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.731 37.486 2.329 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -2.553 36.070 2.953 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.202 39.795 2.427 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.806 35.795 2.543 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.478 40.598 1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.972 36.609 1.679 1.00 0.00 H new ATOM 0 HZ PHE A 45 -7.328 39.044 1.394 1.00 0.00 H new ATOM 736 N ALA A 46 -3.686 38.068 6.246 1.00 0.00 N ATOM 737 CA ALA A 46 -4.508 37.934 7.438 1.00 0.00 C ATOM 738 C ALA A 46 -4.699 36.524 8.026 1.00 0.00 C ATOM 739 O ALA A 46 -5.630 35.826 7.634 1.00 0.00 O ATOM 740 CB ALA A 46 -5.791 38.723 7.117 1.00 0.00 C ATOM 0 H ALA A 46 -3.529 39.050 6.021 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.985 38.349 8.300 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.471 38.674 7.968 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.537 39.764 6.915 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.274 38.291 6.241 1.00 0.00 H new ATOM 746 N GLY A 47 -3.882 36.152 9.051 1.00 0.00 N ATOM 747 CA GLY A 47 -4.044 34.839 9.681 1.00 0.00 C ATOM 748 C GLY A 47 -3.415 33.683 8.950 1.00 0.00 C ATOM 749 O GLY A 47 -3.272 32.645 9.572 1.00 0.00 O ATOM 0 H GLY A 47 -3.135 36.729 9.437 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.622 34.883 10.685 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.110 34.639 9.792 1.00 0.00 H new ATOM 753 N LYS A 48 -2.943 33.905 7.720 1.00 0.00 N ATOM 754 CA LYS A 48 -2.305 32.786 6.949 1.00 0.00 C ATOM 755 C LYS A 48 -1.006 33.218 6.136 1.00 0.00 C ATOM 756 O LYS A 48 -0.919 34.213 5.401 1.00 0.00 O ATOM 757 CB LYS A 48 -3.345 32.120 6.008 1.00 0.00 C ATOM 758 CG LYS A 48 -4.684 31.593 6.669 1.00 0.00 C ATOM 759 CD LYS A 48 -5.540 31.036 5.523 1.00 0.00 C ATOM 760 CE LYS A 48 -6.985 30.901 6.027 1.00 0.00 C ATOM 761 NZ LYS A 48 -7.798 30.459 4.843 1.00 0.00 N ATOM 0 H LYS A 48 -2.977 34.802 7.236 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.962 32.064 7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.611 32.840 5.234 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.861 31.280 5.509 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.475 30.820 7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -5.205 32.398 7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.499 31.700 4.660 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.158 30.068 5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.049 30.175 6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.351 31.850 6.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.793 30.350 5.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.729 31.172 4.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.436 29.549 4.494 1.00 0.00 H new ATOM 775 N GLN A 49 0.096 32.490 6.404 1.00 0.00 N ATOM 776 CA GLN A 49 1.302 32.503 5.559 1.00 0.00 C ATOM 777 C GLN A 49 0.982 31.808 4.240 1.00 0.00 C ATOM 778 O GLN A 49 0.359 30.773 4.220 1.00 0.00 O ATOM 779 CB GLN A 49 2.364 31.740 6.372 1.00 0.00 C ATOM 780 CG GLN A 49 3.857 32.107 6.056 1.00 0.00 C ATOM 781 CD GLN A 49 4.160 31.739 4.628 1.00 0.00 C ATOM 782 OE1 GLN A 49 4.416 32.647 3.831 1.00 0.00 O ATOM 783 NE2 GLN A 49 4.217 30.432 4.354 1.00 0.00 N ATOM 0 H GLN A 49 0.173 31.876 7.215 1.00 0.00 H new ATOM 0 HA GLN A 49 1.656 33.504 5.312 1.00 0.00 H new ATOM 0 HB2 GLN A 49 2.182 31.919 7.432 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.228 30.672 6.201 1.00 0.00 H new ATOM 0 HG2 GLN A 49 4.024 33.172 6.214 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.527 31.575 6.732 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.988 29.749 5.076 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.490 30.118 3.423 1.00 0.00 H new ATOM 792 N LEU A 50 1.431 32.418 3.110 1.00 0.00 N ATOM 793 CA LEU A 50 1.049 32.009 1.747 1.00 0.00 C ATOM 794 C LEU A 50 2.109 31.148 0.956 1.00 0.00 C ATOM 795 O LEU A 50 3.301 31.428 0.826 1.00 0.00 O ATOM 796 CB LEU A 50 0.672 33.188 0.836 1.00 0.00 C ATOM 797 CG LEU A 50 -0.430 34.107 1.492 1.00 0.00 C ATOM 798 CD1 LEU A 50 -0.956 35.002 0.358 1.00 0.00 C ATOM 799 CD2 LEU A 50 -1.666 33.312 1.972 1.00 0.00 C ATOM 0 H LEU A 50 2.072 33.211 3.129 1.00 0.00 H new ATOM 0 HA LEU A 50 0.185 31.380 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.561 33.782 0.624 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.307 32.808 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 50 0.016 34.625 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.727 35.667 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.136 35.595 -0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.378 34.379 -0.431 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.390 33.997 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.121 32.801 1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.359 32.577 2.717 1.00 0.00 H new ATOM 811 N GLU A 51 1.568 30.050 0.385 1.00 0.00 N ATOM 812 CA GLU A 51 2.187 29.088 -0.570 1.00 0.00 C ATOM 813 C GLU A 51 2.552 29.627 -1.974 1.00 0.00 C ATOM 814 O GLU A 51 1.855 30.437 -2.549 1.00 0.00 O ATOM 815 CB GLU A 51 1.197 27.942 -0.758 1.00 0.00 C ATOM 816 CG GLU A 51 1.219 27.011 0.489 1.00 0.00 C ATOM 817 CD GLU A 51 0.164 25.966 0.235 1.00 0.00 C ATOM 818 OE1 GLU A 51 0.448 24.748 0.279 1.00 0.00 O ATOM 819 OE2 GLU A 51 -0.968 26.384 0.009 1.00 0.00 O ATOM 0 H GLU A 51 0.605 29.786 0.594 1.00 0.00 H new ATOM 0 HA GLU A 51 3.140 28.808 -0.122 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.193 28.339 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 51 1.452 27.373 -1.652 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.200 26.554 0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.005 27.571 1.399 1.00 0.00 H new ATOM 826 N ASP A 52 3.690 29.117 -2.479 1.00 0.00 N ATOM 827 CA ASP A 52 4.277 29.591 -3.745 1.00 0.00 C ATOM 828 C ASP A 52 3.431 29.208 -4.910 1.00 0.00 C ATOM 829 O ASP A 52 3.355 29.949 -5.881 1.00 0.00 O ATOM 830 CB ASP A 52 5.793 29.126 -3.872 1.00 0.00 C ATOM 831 CG ASP A 52 6.575 29.810 -2.731 1.00 0.00 C ATOM 832 OD1 ASP A 52 7.156 30.881 -2.984 1.00 0.00 O ATOM 833 OD2 ASP A 52 6.637 29.240 -1.625 1.00 0.00 O ATOM 0 H ASP A 52 4.223 28.374 -2.027 1.00 0.00 H new ATOM 0 HA ASP A 52 4.293 30.681 -3.742 1.00 0.00 H new ATOM 0 HB2 ASP A 52 5.871 28.041 -3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 52 6.202 29.408 -4.842 1.00 0.00 H new ATOM 838 N GLY A 53 2.861 27.995 -4.860 1.00 0.00 N ATOM 839 CA GLY A 53 2.351 27.334 -6.032 1.00 0.00 C ATOM 840 C GLY A 53 0.839 27.527 -6.187 1.00 0.00 C ATOM 841 O GLY A 53 0.185 26.731 -6.814 1.00 0.00 O ATOM 0 H GLY A 53 2.749 27.460 -3.999 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.858 27.720 -6.916 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.577 26.269 -5.975 1.00 0.00 H new ATOM 845 N ARG A 54 0.299 28.607 -5.558 1.00 0.00 N ATOM 846 CA ARG A 54 -1.075 29.028 -5.675 1.00 0.00 C ATOM 847 C ARG A 54 -1.090 30.296 -6.578 1.00 0.00 C ATOM 848 O ARG A 54 -0.154 31.089 -6.581 1.00 0.00 O ATOM 849 CB ARG A 54 -1.656 29.379 -4.254 1.00 0.00 C ATOM 850 CG ARG A 54 -1.443 28.207 -3.207 1.00 0.00 C ATOM 851 CD ARG A 54 -2.081 26.873 -3.652 1.00 0.00 C ATOM 852 NE ARG A 54 -1.992 26.038 -2.437 1.00 0.00 N ATOM 853 CZ ARG A 54 -2.471 24.808 -2.212 1.00 0.00 C ATOM 854 NH1 ARG A 54 -3.222 24.198 -3.032 1.00 0.00 N ATOM 855 NH2 ARG A 54 -2.010 24.192 -1.162 1.00 0.00 N ATOM 0 H ARG A 54 0.847 29.209 -4.943 1.00 0.00 H new ATOM 0 HA ARG A 54 -1.686 28.234 -6.104 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.178 30.285 -3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.721 29.594 -4.343 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.375 28.057 -3.051 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.867 28.503 -2.248 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.114 27.008 -3.974 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.542 26.427 -4.488 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.492 26.460 -1.654 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.487 24.644 -3.910 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -3.561 23.261 -2.813 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.322 24.649 -0.564 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.337 23.252 -0.938 1.00 0.00 H new ATOM 869 N THR A 55 -2.181 30.509 -7.317 1.00 0.00 N ATOM 870 CA THR A 55 -2.480 31.877 -7.882 1.00 0.00 C ATOM 871 C THR A 55 -3.172 32.803 -6.887 1.00 0.00 C ATOM 872 O THR A 55 -3.667 32.389 -5.866 1.00 0.00 O ATOM 873 CB THR A 55 -3.286 31.894 -9.215 1.00 0.00 C ATOM 874 OG1 THR A 55 -4.622 31.327 -9.039 1.00 0.00 O ATOM 875 CG2 THR A 55 -2.499 30.968 -10.167 1.00 0.00 C ATOM 0 H THR A 55 -2.869 29.792 -7.547 1.00 0.00 H new ATOM 0 HA THR A 55 -1.480 32.250 -8.103 1.00 0.00 H new ATOM 0 HB THR A 55 -3.402 32.914 -9.582 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.103 31.353 -9.892 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.003 30.925 -11.132 1.00 0.00 H new ATOM 0 HG22 THR A 55 -1.490 31.357 -10.301 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.448 29.966 -9.740 1.00 0.00 H new ATOM 883 N LEU A 56 -3.201 34.111 -7.216 1.00 0.00 N ATOM 884 CA LEU A 56 -3.938 35.116 -6.424 1.00 0.00 C ATOM 885 C LEU A 56 -5.470 34.806 -6.392 1.00 0.00 C ATOM 886 O LEU A 56 -6.117 34.856 -5.351 1.00 0.00 O ATOM 887 CB LEU A 56 -3.698 36.556 -7.001 1.00 0.00 C ATOM 888 CG LEU A 56 -2.295 37.147 -6.570 1.00 0.00 C ATOM 889 CD1 LEU A 56 -2.090 38.371 -7.440 1.00 0.00 C ATOM 890 CD2 LEU A 56 -2.212 37.604 -5.064 1.00 0.00 C ATOM 0 H LEU A 56 -2.720 34.497 -8.029 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.559 35.072 -5.403 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.758 36.524 -8.089 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.491 37.220 -6.657 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.542 36.367 -6.688 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -1.134 38.835 -7.196 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.093 38.076 -8.489 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.895 39.084 -7.261 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.216 37.995 -4.857 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.953 38.381 -4.878 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -2.409 36.752 -4.414 1.00 0.00 H new ATOM 902 N SER A 57 -6.052 34.291 -7.487 1.00 0.00 N ATOM 903 CA SER A 57 -7.433 33.735 -7.414 1.00 0.00 C ATOM 904 C SER A 57 -7.571 32.507 -6.497 1.00 0.00 C ATOM 905 O SER A 57 -8.596 32.391 -5.836 1.00 0.00 O ATOM 906 CB SER A 57 -8.024 33.327 -8.798 1.00 0.00 C ATOM 907 OG SER A 57 -9.408 32.922 -8.753 1.00 0.00 O ATOM 0 H SER A 57 -5.615 34.243 -8.408 1.00 0.00 H new ATOM 0 HA SER A 57 -7.992 34.573 -6.998 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.925 34.167 -9.485 1.00 0.00 H new ATOM 0 HB3 SER A 57 -7.431 32.509 -9.207 1.00 0.00 H new ATOM 0 HG SER A 57 -9.708 32.683 -9.655 1.00 0.00 H new ATOM 913 N ASP A 58 -6.587 31.596 -6.431 1.00 0.00 N ATOM 914 CA ASP A 58 -6.633 30.403 -5.555 1.00 0.00 C ATOM 915 C ASP A 58 -6.699 30.790 -4.060 1.00 0.00 C ATOM 916 O ASP A 58 -7.300 30.064 -3.270 1.00 0.00 O ATOM 917 CB ASP A 58 -5.390 29.514 -5.840 1.00 0.00 C ATOM 918 CG ASP A 58 -5.333 28.887 -7.258 1.00 0.00 C ATOM 919 OD1 ASP A 58 -6.366 28.418 -7.769 1.00 0.00 O ATOM 920 OD2 ASP A 58 -4.194 28.840 -7.742 1.00 0.00 O ATOM 0 H ASP A 58 -5.732 31.662 -6.984 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.542 29.844 -5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.493 30.114 -5.690 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.362 28.710 -5.104 1.00 0.00 H new ATOM 925 N TYR A 59 -6.055 31.891 -3.651 1.00 0.00 N ATOM 926 CA TYR A 59 -6.267 32.481 -2.283 1.00 0.00 C ATOM 927 C TYR A 59 -7.356 33.509 -2.146 1.00 0.00 C ATOM 928 O TYR A 59 -7.669 34.008 -1.046 1.00 0.00 O ATOM 929 CB TYR A 59 -4.972 33.105 -1.793 1.00 0.00 C ATOM 930 CG TYR A 59 -4.072 32.011 -1.233 1.00 0.00 C ATOM 931 CD1 TYR A 59 -2.760 31.891 -1.708 1.00 0.00 C ATOM 932 CD2 TYR A 59 -4.421 31.374 -0.056 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.880 30.980 -1.101 1.00 0.00 C ATOM 934 CE2 TYR A 59 -3.566 30.417 0.515 1.00 0.00 C ATOM 935 CZ TYR A 59 -2.295 30.237 0.030 1.00 0.00 C ATOM 936 OH TYR A 59 -1.498 29.278 0.617 1.00 0.00 O ATOM 0 H TYR A 59 -5.385 32.401 -4.227 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.593 31.631 -1.684 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.471 33.622 -2.611 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.181 33.850 -1.025 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.426 32.497 -2.538 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.357 31.614 0.427 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.885 30.846 -1.498 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.912 29.817 1.344 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.672 28.408 0.201 1.00 0.00 H new ATOM 946 N ASN A 60 -7.917 33.810 -3.288 1.00 0.00 N ATOM 947 CA ASN A 60 -9.080 34.667 -3.452 1.00 0.00 C ATOM 948 C ASN A 60 -8.689 36.154 -3.344 1.00 0.00 C ATOM 949 O ASN A 60 -9.539 36.930 -2.878 1.00 0.00 O ATOM 950 CB ASN A 60 -10.402 34.297 -2.678 1.00 0.00 C ATOM 951 CG ASN A 60 -10.542 32.777 -2.654 1.00 0.00 C ATOM 952 OD1 ASN A 60 -10.576 32.169 -1.567 1.00 0.00 O ATOM 953 ND2 ASN A 60 -10.723 32.101 -3.808 1.00 0.00 N ATOM 0 H ASN A 60 -7.565 33.451 -4.175 1.00 0.00 H new ATOM 0 HA ASN A 60 -9.405 34.455 -4.471 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.368 34.690 -1.662 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.265 34.749 -3.166 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -10.887 31.094 -3.789 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.696 32.597 -4.699 1.00 0.00 H new ATOM 960 N ILE A 61 -7.496 36.576 -3.890 1.00 0.00 N ATOM 961 CA ILE A 61 -7.135 38.021 -3.800 1.00 0.00 C ATOM 962 C ILE A 61 -7.996 38.814 -4.741 1.00 0.00 C ATOM 963 O ILE A 61 -8.109 38.576 -5.938 1.00 0.00 O ATOM 964 CB ILE A 61 -5.640 38.339 -3.981 1.00 0.00 C ATOM 965 CG1 ILE A 61 -4.841 37.394 -3.029 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.315 39.832 -3.672 1.00 0.00 C ATOM 967 CD1 ILE A 61 -5.432 37.250 -1.547 1.00 0.00 C ATOM 0 H ILE A 61 -6.818 35.978 -4.363 1.00 0.00 H new ATOM 0 HA ILE A 61 -7.335 38.320 -2.771 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.358 38.175 -5.021 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.797 36.403 -3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.816 37.759 -2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.249 40.009 -3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.882 40.475 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.587 40.058 -2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.804 36.573 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.450 38.228 -1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.445 36.851 -1.597 1.00 0.00 H new ATOM 979 N GLN A 62 -8.502 39.878 -4.171 1.00 0.00 N ATOM 980 CA GLN A 62 -9.237 40.868 -4.884 1.00 0.00 C ATOM 981 C GLN A 62 -8.379 42.120 -5.110 1.00 0.00 C ATOM 982 O GLN A 62 -7.365 42.387 -4.468 1.00 0.00 O ATOM 983 CB GLN A 62 -10.455 41.246 -4.020 1.00 0.00 C ATOM 984 CG GLN A 62 -11.342 39.978 -3.710 1.00 0.00 C ATOM 985 CD GLN A 62 -11.807 39.174 -4.952 1.00 0.00 C ATOM 986 OE1 GLN A 62 -12.560 39.673 -5.813 1.00 0.00 O ATOM 987 NE2 GLN A 62 -11.559 37.843 -4.987 1.00 0.00 N ATOM 0 H GLN A 62 -8.407 40.076 -3.175 1.00 0.00 H new ATOM 0 HA GLN A 62 -9.539 40.479 -5.856 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -10.118 41.696 -3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.054 41.996 -4.537 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -10.778 39.312 -3.057 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -12.223 40.299 -3.155 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -10.946 37.420 -4.290 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.985 37.264 -5.710 1.00 0.00 H new ATOM 996 N LYS A 63 -8.823 42.981 -6.031 1.00 0.00 N ATOM 997 CA LYS A 63 -8.067 44.216 -6.315 1.00 0.00 C ATOM 998 C LYS A 63 -8.119 45.262 -5.141 1.00 0.00 C ATOM 999 O LYS A 63 -9.107 45.613 -4.533 1.00 0.00 O ATOM 1000 CB LYS A 63 -8.482 44.960 -7.604 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.983 45.435 -7.597 1.00 0.00 C ATOM 1002 CD LYS A 63 -10.327 46.119 -8.993 1.00 0.00 C ATOM 1003 CE LYS A 63 -11.867 46.238 -9.187 1.00 0.00 C ATOM 1004 NZ LYS A 63 -12.210 47.182 -10.283 1.00 0.00 N ATOM 0 H LYS A 63 -9.674 42.858 -6.580 1.00 0.00 H new ATOM 0 HA LYS A 63 -7.055 43.831 -6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.835 45.827 -7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.320 44.306 -8.460 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.644 44.586 -7.423 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -10.149 46.141 -6.783 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.873 47.109 -9.040 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.898 45.533 -9.806 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.283 45.255 -9.409 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.326 46.576 -8.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.244 47.236 -10.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -11.834 48.125 -10.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.793 46.846 -11.174 1.00 0.00 H new ATOM 1018 N GLU A 64 -6.948 45.722 -4.840 1.00 0.00 N ATOM 1019 CA GLU A 64 -6.632 46.687 -3.746 1.00 0.00 C ATOM 1020 C GLU A 64 -6.461 45.993 -2.328 1.00 0.00 C ATOM 1021 O GLU A 64 -6.485 46.631 -1.250 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.532 47.959 -3.739 1.00 0.00 C ATOM 1023 CG GLU A 64 -7.501 48.558 -5.139 1.00 0.00 C ATOM 1024 CD GLU A 64 -8.048 50.015 -5.143 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -7.210 50.890 -5.376 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -9.238 50.230 -4.920 1.00 0.00 O ATOM 0 H GLU A 64 -6.115 45.441 -5.358 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.642 47.075 -3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -8.553 47.703 -3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.169 48.680 -3.007 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.479 48.550 -5.518 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.096 47.942 -5.814 1.00 0.00 H new ATOM 1033 N SER A 65 -6.140 44.687 -2.366 1.00 0.00 N ATOM 1034 CA SER A 65 -5.722 43.892 -1.167 1.00 0.00 C ATOM 1035 C SER A 65 -4.355 44.241 -0.535 1.00 0.00 C ATOM 1036 O SER A 65 -3.367 44.424 -1.229 1.00 0.00 O ATOM 1037 CB SER A 65 -5.791 42.408 -1.478 1.00 0.00 C ATOM 1038 OG SER A 65 -7.112 42.072 -1.934 1.00 0.00 O ATOM 0 H SER A 65 -6.159 44.139 -3.226 1.00 0.00 H new ATOM 0 HA SER A 65 -6.442 44.177 -0.400 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.056 42.151 -2.241 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.544 41.828 -0.589 1.00 0.00 H new ATOM 0 HG SER A 65 -7.281 42.506 -2.796 1.00 0.00 H new ATOM 1044 N THR A 66 -4.329 44.280 0.815 1.00 0.00 N ATOM 1045 CA THR A 66 -3.044 44.506 1.541 1.00 0.00 C ATOM 1046 C THR A 66 -2.484 43.148 2.026 1.00 0.00 C ATOM 1047 O THR A 66 -3.169 42.448 2.770 1.00 0.00 O ATOM 1048 CB THR A 66 -3.102 45.478 2.706 1.00 0.00 C ATOM 1049 OG1 THR A 66 -3.495 46.763 2.246 1.00 0.00 O ATOM 1050 CG2 THR A 66 -1.642 45.517 3.330 1.00 0.00 C ATOM 0 H THR A 66 -5.147 44.163 1.413 1.00 0.00 H new ATOM 0 HA THR A 66 -2.387 44.982 0.813 1.00 0.00 H new ATOM 0 HB THR A 66 -3.832 45.168 3.454 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.532 47.384 3.003 1.00 0.00 H new ATOM 0 HG21 THR A 66 -1.626 46.204 4.176 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.364 44.519 3.668 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.932 45.855 2.575 1.00 0.00 H new ATOM 1058 N LEU A 67 -1.222 42.891 1.663 1.00 0.00 N ATOM 1059 CA LEU A 67 -0.562 41.613 1.984 1.00 0.00 C ATOM 1060 C LEU A 67 0.814 41.916 2.529 1.00 0.00 C ATOM 1061 O LEU A 67 1.388 42.972 2.211 1.00 0.00 O ATOM 1062 CB LEU A 67 -0.468 40.712 0.687 1.00 0.00 C ATOM 1063 CG LEU A 67 -1.822 40.575 -0.107 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -1.847 41.398 -1.436 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.102 39.101 -0.582 1.00 0.00 C ATOM 0 H LEU A 67 -0.635 43.547 1.148 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.137 41.064 2.730 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.288 41.130 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.126 39.717 0.974 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.560 40.933 0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.807 41.259 -1.932 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.704 42.455 -1.212 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.047 41.055 -2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.047 39.067 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.296 38.771 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.156 38.443 0.286 1.00 0.00 H new ATOM 1077 N HIS A 68 1.394 41.037 3.359 1.00 0.00 N ATOM 1078 CA HIS A 68 2.497 41.495 4.182 1.00 0.00 C ATOM 1079 C HIS A 68 3.778 40.722 3.939 1.00 0.00 C ATOM 1080 O HIS A 68 3.819 39.492 3.990 1.00 0.00 O ATOM 1081 CB HIS A 68 2.009 41.382 5.623 1.00 0.00 C ATOM 1082 CG HIS A 68 0.883 42.332 5.904 1.00 0.00 C ATOM 1083 ND1 HIS A 68 -0.468 41.953 5.883 1.00 0.00 N ATOM 1084 CD2 HIS A 68 0.934 43.627 6.327 1.00 0.00 C ATOM 1085 CE1 HIS A 68 -1.145 43.078 6.318 1.00 0.00 C ATOM 1086 NE2 HIS A 68 -0.323 44.059 6.590 1.00 0.00 N ATOM 0 H HIS A 68 1.129 40.058 3.470 1.00 0.00 H new ATOM 0 HA HIS A 68 2.765 42.522 3.935 1.00 0.00 H new ATOM 0 HB2 HIS A 68 1.680 40.361 5.817 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.835 41.586 6.304 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.833 44.215 6.435 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.218 43.139 6.420 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.582 44.982 6.937 1.00 0.00 H new ATOM 1094 N LEU A 69 4.858 41.456 3.692 1.00 0.00 N ATOM 1095 CA LEU A 69 6.123 40.742 3.340 1.00 0.00 C ATOM 1096 C LEU A 69 6.913 40.506 4.602 1.00 0.00 C ATOM 1097 O LEU A 69 7.219 41.441 5.312 1.00 0.00 O ATOM 1098 CB LEU A 69 7.002 41.577 2.302 1.00 0.00 C ATOM 1099 CG LEU A 69 8.543 41.234 2.214 1.00 0.00 C ATOM 1100 CD1 LEU A 69 8.741 39.797 1.654 1.00 0.00 C ATOM 1101 CD2 LEU A 69 9.325 42.185 1.254 1.00 0.00 C ATOM 0 H LEU A 69 4.908 42.474 3.720 1.00 0.00 H new ATOM 0 HA LEU A 69 5.867 39.794 2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.570 41.443 1.310 1.00 0.00 H new ATOM 0 HB3 LEU A 69 6.906 42.634 2.552 1.00 0.00 H new ATOM 0 HG LEU A 69 8.925 41.342 3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 69 9.806 39.572 1.598 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.253 39.079 2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.303 39.731 0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.377 41.899 1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.911 42.108 0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 69 9.234 43.213 1.606 1.00 0.00 H new ATOM 1113 N VAL A 70 7.279 39.260 4.918 1.00 0.00 N ATOM 1114 CA VAL A 70 8.272 39.004 5.977 1.00 0.00 C ATOM 1115 C VAL A 70 9.539 38.491 5.264 1.00 0.00 C ATOM 1116 O VAL A 70 9.646 37.353 4.789 1.00 0.00 O ATOM 1117 CB VAL A 70 7.787 37.986 6.974 1.00 0.00 C ATOM 1118 CG1 VAL A 70 8.993 37.614 7.918 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.669 38.590 7.848 1.00 0.00 C ATOM 0 H VAL A 70 6.912 38.422 4.467 1.00 0.00 H new ATOM 0 HA VAL A 70 8.462 39.916 6.543 1.00 0.00 H new ATOM 0 HB VAL A 70 7.406 37.112 6.445 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.667 36.876 8.651 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.806 37.199 7.323 1.00 0.00 H new ATOM 0 HG13 VAL A 70 9.341 38.509 8.434 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.326 37.845 8.566 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.054 39.458 8.383 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.836 38.894 7.214 1.00 0.00 H new