USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 713 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 51 ASN :FLIP amide:sc= -4.25 F(o=-15!,f=-14) USER MOD Set 1.2: A 52 HIS :FLIP no HD1:sc= -5.97! C(o=-21!,f=-14!) USER MOD Set 1.3: A 78 HIS : no HD1:sc= -3.56! K(o=-14!,f=-14) USER MOD Single : A 5 THR OG1 : rot 34:sc= 0.429 USER MOD Single : A 7 LYS NZ :NH3+ 153:sc= -0.0948 (180deg=-0.454) USER MOD Single : A 11 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 13 LYS NZ :NH3+ -120:sc= 0.02 (180deg=-0.517) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0105) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -21:sc= 1.14 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -63:sc= 1.17 USER MOD Single : A 49 GLN : amide:sc= -2.09 K(o=-2.1,f=-2.7!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0774 K(o=-0.077,f=-2.7!) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.116 X(o=-0.12,f=-0.0029) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.32 USER MOD Single : A 80 THR OG1 : rot -74:sc= 0.716 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 22 N PHE A 2 -12.164 17.055 -6.849 1.00 0.00 N ATOM 23 CA PHE A 2 -10.716 16.879 -6.820 1.00 0.00 C ATOM 24 C PHE A 2 -10.345 15.396 -6.804 1.00 0.00 C ATOM 25 O PHE A 2 -10.047 14.813 -7.846 1.00 0.00 O ATOM 26 CB PHE A 2 -10.106 17.593 -5.604 1.00 0.00 C ATOM 27 CG PHE A 2 -11.096 17.901 -4.513 1.00 0.00 C ATOM 28 CD1 PHE A 2 -12.043 18.898 -4.682 1.00 0.00 C ATOM 29 CD2 PHE A 2 -11.076 17.194 -3.322 1.00 0.00 C ATOM 30 CE1 PHE A 2 -12.954 19.183 -3.682 1.00 0.00 C ATOM 31 CE2 PHE A 2 -11.984 17.475 -2.319 1.00 0.00 C ATOM 32 CZ PHE A 2 -12.925 18.470 -2.500 1.00 0.00 C ATOM 0 HA PHE A 2 -10.307 17.325 -7.727 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -9.310 16.972 -5.193 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -9.646 18.524 -5.936 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -12.070 19.459 -5.605 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -10.343 16.415 -3.176 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -13.688 19.963 -3.825 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -11.958 16.917 -1.395 1.00 0.00 H new ATOM 0 HZ PHE A 2 -13.637 18.690 -1.718 1.00 0.00 H new ATOM 42 N ILE A 3 -10.363 14.791 -5.617 1.00 0.00 N ATOM 43 CA ILE A 3 -10.027 13.377 -5.470 1.00 0.00 C ATOM 44 C ILE A 3 -8.736 13.034 -6.213 1.00 0.00 C ATOM 45 O ILE A 3 -8.761 12.689 -7.395 1.00 0.00 O ATOM 46 CB ILE A 3 -11.166 12.474 -5.986 1.00 0.00 C ATOM 47 CG1 ILE A 3 -12.482 12.836 -5.296 1.00 0.00 C ATOM 48 CG2 ILE A 3 -10.830 11.006 -5.761 1.00 0.00 C ATOM 49 CD1 ILE A 3 -13.115 14.104 -5.827 1.00 0.00 C ATOM 0 H ILE A 3 -10.607 15.259 -4.744 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.884 13.194 -4.405 1.00 0.00 H new ATOM 0 HB ILE A 3 -11.279 12.637 -7.058 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -13.184 12.011 -5.416 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -12.303 12.949 -4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -11.646 10.385 -6.132 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -9.913 10.757 -6.295 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -10.691 10.824 -4.695 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -14.044 14.299 -5.292 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -12.431 14.940 -5.682 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -13.326 13.988 -6.890 1.00 0.00 H new ATOM 61 N ALA A 4 -7.612 13.135 -5.511 1.00 0.00 N ATOM 62 CA ALA A 4 -6.314 12.837 -6.104 1.00 0.00 C ATOM 63 C ALA A 4 -5.773 11.503 -5.601 1.00 0.00 C ATOM 64 O ALA A 4 -4.952 11.460 -4.685 1.00 0.00 O ATOM 65 CB ALA A 4 -5.327 13.954 -5.801 1.00 0.00 C ATOM 0 H ALA A 4 -7.574 13.420 -4.532 1.00 0.00 H new ATOM 0 HA ALA A 4 -6.445 12.763 -7.184 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.362 13.718 -6.250 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.700 14.891 -6.214 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.211 14.054 -4.722 1.00 0.00 H new ATOM 71 N THR A 5 -6.237 10.416 -6.208 1.00 0.00 N ATOM 72 CA THR A 5 -5.798 9.079 -5.824 1.00 0.00 C ATOM 73 C THR A 5 -4.348 8.846 -6.235 1.00 0.00 C ATOM 74 O THR A 5 -4.032 8.784 -7.422 1.00 0.00 O ATOM 75 CB THR A 5 -6.696 8.020 -6.464 1.00 0.00 C ATOM 76 OG1 THR A 5 -6.760 8.199 -7.868 1.00 0.00 O ATOM 77 CG2 THR A 5 -8.113 8.037 -5.935 1.00 0.00 C ATOM 0 H THR A 5 -6.917 10.434 -6.968 1.00 0.00 H new ATOM 0 HA THR A 5 -5.869 8.998 -4.739 1.00 0.00 H new ATOM 0 HB THR A 5 -6.241 7.063 -6.207 1.00 0.00 H new ATOM 0 HG1 THR A 5 -5.899 8.534 -8.195 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.696 7.261 -6.431 1.00 0.00 H new ATOM 0 HG22 THR A 5 -8.103 7.852 -4.861 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.563 9.010 -6.131 1.00 0.00 H new ATOM 85 N LEU A 6 -3.470 8.719 -5.246 1.00 0.00 N ATOM 86 CA LEU A 6 -2.053 8.495 -5.509 1.00 0.00 C ATOM 87 C LEU A 6 -1.806 7.065 -5.981 1.00 0.00 C ATOM 88 O LEU A 6 -1.342 6.219 -5.217 1.00 0.00 O ATOM 89 CB LEU A 6 -1.226 8.783 -4.253 1.00 0.00 C ATOM 90 CG LEU A 6 0.268 9.007 -4.497 1.00 0.00 C ATOM 91 CD1 LEU A 6 0.942 7.709 -4.911 1.00 0.00 C ATOM 92 CD2 LEU A 6 0.481 10.082 -5.553 1.00 0.00 C ATOM 0 H LEU A 6 -3.714 8.767 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 6 -1.744 9.177 -6.301 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.635 9.666 -3.762 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.344 7.950 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 6 0.722 9.346 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.004 7.888 -5.080 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.820 6.968 -4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.486 7.339 -5.829 1.00 0.00 H new ATOM 0 HD21 LEU A 6 1.549 10.228 -5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.013 9.772 -6.487 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.034 11.017 -5.216 1.00 0.00 H new ATOM 104 N LYS A 7 -2.120 6.805 -7.246 1.00 0.00 N ATOM 105 CA LYS A 7 -1.932 5.479 -7.824 1.00 0.00 C ATOM 106 C LYS A 7 -0.651 5.426 -8.649 1.00 0.00 C ATOM 107 O LYS A 7 -0.564 6.029 -9.718 1.00 0.00 O ATOM 108 CB LYS A 7 -3.132 5.105 -8.696 1.00 0.00 C ATOM 109 CG LYS A 7 -3.012 3.736 -9.346 1.00 0.00 C ATOM 110 CD LYS A 7 -4.367 3.056 -9.470 1.00 0.00 C ATOM 111 CE LYS A 7 -5.335 3.882 -10.303 1.00 0.00 C ATOM 112 NZ LYS A 7 -4.686 4.433 -11.525 1.00 0.00 N ATOM 0 H LYS A 7 -2.506 7.495 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.849 4.761 -7.009 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.035 5.130 -8.086 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.253 5.858 -9.475 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.564 3.840 -10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.342 3.110 -8.757 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.241 2.074 -9.925 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.786 2.896 -8.477 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.185 3.264 -10.591 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.726 4.701 -9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.403 4.578 -12.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.234 5.342 -11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.967 3.765 -11.867 1.00 0.00 H new ATOM 126 N GLY A 8 0.341 4.701 -8.144 1.00 0.00 N ATOM 127 CA GLY A 8 1.606 4.583 -8.847 1.00 0.00 C ATOM 128 C GLY A 8 1.925 3.152 -9.233 1.00 0.00 C ATOM 129 O GLY A 8 1.421 2.209 -8.623 1.00 0.00 O ATOM 0 H GLY A 8 0.292 4.193 -7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.578 5.200 -9.745 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.406 4.973 -8.217 1.00 0.00 H new ATOM 133 N ILE A 9 2.766 2.990 -10.250 1.00 0.00 N ATOM 134 CA ILE A 9 3.152 1.665 -10.717 1.00 0.00 C ATOM 135 C ILE A 9 4.491 1.243 -10.127 1.00 0.00 C ATOM 136 O ILE A 9 5.292 2.080 -9.709 1.00 0.00 O ATOM 137 CB ILE A 9 3.245 1.614 -12.253 1.00 0.00 C ATOM 138 CG1 ILE A 9 1.988 2.214 -12.885 1.00 0.00 C ATOM 139 CG2 ILE A 9 3.450 0.182 -12.724 1.00 0.00 C ATOM 140 CD1 ILE A 9 2.157 2.566 -14.346 1.00 0.00 C ATOM 0 H ILE A 9 3.192 3.760 -10.765 1.00 0.00 H new ATOM 0 HA ILE A 9 2.376 0.976 -10.384 1.00 0.00 H new ATOM 0 HB ILE A 9 4.104 2.207 -12.569 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.166 1.506 -12.783 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.706 3.111 -12.333 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.514 0.162 -13.812 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.373 -0.212 -12.299 1.00 0.00 H new ATOM 0 HG23 ILE A 9 2.610 -0.432 -12.399 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.227 2.986 -14.729 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.957 3.298 -14.454 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.409 1.668 -14.910 1.00 0.00 H new ATOM 152 N PHE A 10 4.729 -0.064 -10.099 1.00 0.00 N ATOM 153 CA PHE A 10 5.971 -0.606 -9.564 1.00 0.00 C ATOM 154 C PHE A 10 6.411 -1.831 -10.364 1.00 0.00 C ATOM 155 O PHE A 10 6.647 -2.902 -9.806 1.00 0.00 O ATOM 156 CB PHE A 10 5.795 -0.983 -8.092 1.00 0.00 C ATOM 157 CG PHE A 10 6.254 0.071 -7.124 1.00 0.00 C ATOM 158 CD1 PHE A 10 5.482 1.197 -6.883 1.00 0.00 C ATOM 159 CD2 PHE A 10 7.449 -0.076 -6.440 1.00 0.00 C ATOM 160 CE1 PHE A 10 5.896 2.157 -5.975 1.00 0.00 C ATOM 161 CE2 PHE A 10 7.868 0.881 -5.536 1.00 0.00 C ATOM 162 CZ PHE A 10 7.090 1.998 -5.301 1.00 0.00 C ATOM 0 H PHE A 10 4.076 -0.768 -10.442 1.00 0.00 H new ATOM 0 HA PHE A 10 6.741 0.161 -9.645 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.742 -1.196 -7.907 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.345 -1.903 -7.897 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.548 1.327 -7.409 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.060 -0.949 -6.615 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.285 3.029 -5.794 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.804 0.756 -5.013 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.415 2.745 -4.592 1.00 0.00 H new ATOM 172 N THR A 11 6.517 -1.664 -11.679 1.00 0.00 N ATOM 173 CA THR A 11 6.927 -2.755 -12.556 1.00 0.00 C ATOM 174 C THR A 11 8.441 -2.882 -12.614 1.00 0.00 C ATOM 175 O THR A 11 9.164 -1.925 -12.923 1.00 0.00 O ATOM 176 CB THR A 11 6.351 -2.561 -13.962 1.00 0.00 C ATOM 177 OG1 THR A 11 6.668 -3.663 -14.791 1.00 0.00 O ATOM 178 CG2 THR A 11 6.853 -1.310 -14.650 1.00 0.00 C ATOM 0 H THR A 11 6.325 -0.785 -12.160 1.00 0.00 H new ATOM 0 HA THR A 11 6.530 -3.681 -12.141 1.00 0.00 H new ATOM 0 HB THR A 11 5.274 -2.470 -13.820 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.290 -3.520 -15.684 1.00 0.00 H new ATOM 0 HG21 THR A 11 6.405 -1.235 -15.641 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.578 -0.435 -14.060 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.938 -1.357 -14.745 1.00 0.00 H new ATOM 186 N LEU A 12 8.912 -4.084 -12.305 1.00 0.00 N ATOM 187 CA LEU A 12 10.332 -4.370 -12.307 1.00 0.00 C ATOM 188 C LEU A 12 11.074 -3.411 -11.391 1.00 0.00 C ATOM 189 O LEU A 12 10.583 -2.334 -11.062 1.00 0.00 O ATOM 190 CB LEU A 12 10.889 -4.273 -13.730 1.00 0.00 C ATOM 191 CG LEU A 12 10.561 -5.459 -14.642 1.00 0.00 C ATOM 192 CD1 LEU A 12 9.070 -5.761 -14.613 1.00 0.00 C ATOM 193 CD2 LEU A 12 11.021 -5.178 -16.065 1.00 0.00 C ATOM 0 H LEU A 12 8.324 -4.877 -12.049 1.00 0.00 H new ATOM 0 HA LEU A 12 10.478 -5.385 -11.937 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.505 -3.363 -14.192 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.972 -4.169 -13.672 1.00 0.00 H new ATOM 0 HG LEU A 12 11.095 -6.335 -14.273 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.857 -6.607 -15.267 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.768 -6.005 -13.595 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.515 -4.888 -14.957 1.00 0.00 H new ATOM 0 HD21 LEU A 12 10.780 -6.031 -16.700 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.514 -4.290 -16.442 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.098 -5.012 -16.073 1.00 0.00 H new ATOM 205 N LYS A 13 12.266 -3.805 -10.992 1.00 0.00 N ATOM 206 CA LYS A 13 13.086 -2.969 -10.127 1.00 0.00 C ATOM 207 C LYS A 13 13.692 -1.805 -10.921 1.00 0.00 C ATOM 208 O LYS A 13 14.505 -1.042 -10.398 1.00 0.00 O ATOM 209 CB LYS A 13 14.184 -3.807 -9.449 1.00 0.00 C ATOM 210 CG LYS A 13 15.542 -3.749 -10.134 1.00 0.00 C ATOM 211 CD LYS A 13 16.547 -4.661 -9.449 1.00 0.00 C ATOM 212 CE LYS A 13 17.439 -3.887 -8.491 1.00 0.00 C ATOM 213 NZ LYS A 13 18.521 -4.741 -7.929 1.00 0.00 N ATOM 0 H LYS A 13 12.691 -4.696 -11.250 1.00 0.00 H new ATOM 0 HA LYS A 13 12.451 -2.550 -9.346 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.297 -3.468 -8.419 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.857 -4.846 -9.409 1.00 0.00 H new ATOM 0 HG2 LYS A 13 15.437 -4.040 -11.179 1.00 0.00 H new ATOM 0 HG3 LYS A 13 15.913 -2.724 -10.125 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.018 -5.443 -8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.162 -5.156 -10.201 1.00 0.00 H new ATOM 0 HE2 LYS A 13 17.880 -3.037 -9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 13 16.835 -3.484 -7.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 18.434 -4.775 -6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 18.440 -5.703 -8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 19.447 -4.342 -8.186 1.00 0.00 H new ATOM 227 N ASP A 14 13.289 -1.677 -12.188 1.00 0.00 N ATOM 228 CA ASP A 14 13.784 -0.615 -13.052 1.00 0.00 C ATOM 229 C ASP A 14 12.940 0.649 -12.916 1.00 0.00 C ATOM 230 O ASP A 14 13.423 1.751 -13.179 1.00 0.00 O ATOM 231 CB ASP A 14 13.792 -1.080 -14.510 1.00 0.00 C ATOM 232 CG ASP A 14 15.108 -1.719 -14.908 1.00 0.00 C ATOM 233 OD1 ASP A 14 15.332 -2.893 -14.548 1.00 0.00 O ATOM 234 OD2 ASP A 14 15.916 -1.044 -15.581 1.00 0.00 O ATOM 0 H ASP A 14 12.618 -2.302 -12.635 1.00 0.00 H new ATOM 0 HA ASP A 14 14.802 -0.380 -12.742 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.983 -1.794 -14.665 1.00 0.00 H new ATOM 0 HB3 ASP A 14 13.594 -0.228 -15.161 1.00 0.00 H new ATOM 239 N LEU A 15 11.672 0.496 -12.516 1.00 0.00 N ATOM 240 CA LEU A 15 10.783 1.655 -12.366 1.00 0.00 C ATOM 241 C LEU A 15 10.597 2.130 -10.908 1.00 0.00 C ATOM 242 O LEU A 15 9.512 2.591 -10.562 1.00 0.00 O ATOM 243 CB LEU A 15 9.417 1.336 -12.995 1.00 0.00 C ATOM 244 CG LEU A 15 8.377 0.604 -12.118 1.00 0.00 C ATOM 245 CD1 LEU A 15 9.009 -0.125 -10.931 1.00 0.00 C ATOM 246 CD2 LEU A 15 7.306 1.576 -11.637 1.00 0.00 C ATOM 0 H LEU A 15 11.244 -0.403 -12.294 1.00 0.00 H new ATOM 0 HA LEU A 15 11.267 2.482 -12.885 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.974 2.274 -13.328 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.590 0.731 -13.885 1.00 0.00 H new ATOM 0 HG LEU A 15 7.916 -0.158 -12.747 1.00 0.00 H new ATOM 0 HD11 LEU A 15 8.230 -0.620 -10.352 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.718 -0.868 -11.296 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.530 0.593 -10.298 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.582 1.043 -11.021 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.771 2.367 -11.049 1.00 0.00 H new ATOM 0 HD23 LEU A 15 6.799 2.013 -12.497 1.00 0.00 H new ATOM 258 N PRO A 16 11.618 2.039 -10.023 1.00 0.00 N ATOM 259 CA PRO A 16 11.484 2.478 -8.625 1.00 0.00 C ATOM 260 C PRO A 16 10.797 3.836 -8.488 1.00 0.00 C ATOM 261 O PRO A 16 11.464 4.864 -8.372 1.00 0.00 O ATOM 262 CB PRO A 16 12.931 2.575 -8.150 1.00 0.00 C ATOM 263 CG PRO A 16 13.662 1.567 -8.961 1.00 0.00 C ATOM 264 CD PRO A 16 12.967 1.506 -10.293 1.00 0.00 C ATOM 0 HA PRO A 16 10.865 1.791 -8.048 1.00 0.00 H new ATOM 0 HB2 PRO A 16 13.333 3.576 -8.306 1.00 0.00 H new ATOM 0 HB3 PRO A 16 13.013 2.361 -7.084 1.00 0.00 H new ATOM 0 HG2 PRO A 16 14.708 1.850 -9.082 1.00 0.00 H new ATOM 0 HG3 PRO A 16 13.650 0.593 -8.472 1.00 0.00 H new ATOM 0 HD2 PRO A 16 13.488 2.103 -11.042 1.00 0.00 H new ATOM 0 HD3 PRO A 16 12.923 0.485 -10.673 1.00 0.00 H new ATOM 272 N GLU A 17 9.458 3.816 -8.500 1.00 0.00 N ATOM 273 CA GLU A 17 8.625 5.023 -8.380 1.00 0.00 C ATOM 274 C GLU A 17 9.425 6.317 -8.543 1.00 0.00 C ATOM 275 O GLU A 17 9.406 6.938 -9.606 1.00 0.00 O ATOM 276 CB GLU A 17 7.892 5.027 -7.036 1.00 0.00 C ATOM 277 CG GLU A 17 6.960 6.215 -6.854 1.00 0.00 C ATOM 278 CD GLU A 17 7.022 6.795 -5.454 1.00 0.00 C ATOM 279 OE1 GLU A 17 6.554 6.123 -4.512 1.00 0.00 O ATOM 280 OE2 GLU A 17 7.538 7.922 -5.302 1.00 0.00 O ATOM 0 H GLU A 17 8.917 2.956 -8.594 1.00 0.00 H new ATOM 0 HA GLU A 17 7.903 4.990 -9.196 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.316 4.106 -6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.627 5.026 -6.231 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.219 6.989 -7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.937 5.906 -7.071 1.00 0.00 H new ATOM 287 N GLU A 18 10.122 6.720 -7.484 1.00 0.00 N ATOM 288 CA GLU A 18 10.919 7.939 -7.515 1.00 0.00 C ATOM 289 C GLU A 18 12.393 7.634 -7.746 1.00 0.00 C ATOM 290 O GLU A 18 13.048 8.262 -8.575 1.00 0.00 O ATOM 291 CB GLU A 18 10.742 8.711 -6.206 1.00 0.00 C ATOM 292 CG GLU A 18 11.091 10.186 -6.317 1.00 0.00 C ATOM 293 CD GLU A 18 9.982 11.001 -6.953 1.00 0.00 C ATOM 294 OE1 GLU A 18 9.192 10.423 -7.729 1.00 0.00 O ATOM 295 OE2 GLU A 18 9.903 12.216 -6.677 1.00 0.00 O ATOM 0 H GLU A 18 10.150 6.220 -6.596 1.00 0.00 H new ATOM 0 HA GLU A 18 10.569 8.550 -8.347 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.708 8.615 -5.874 1.00 0.00 H new ATOM 0 HB3 GLU A 18 11.367 8.255 -5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.303 10.581 -5.324 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.002 10.297 -6.906 1.00 0.00 H new ATOM 302 N PHE A 19 12.893 6.660 -7.004 1.00 0.00 N ATOM 303 CA PHE A 19 14.292 6.240 -7.099 1.00 0.00 C ATOM 304 C PHE A 19 14.517 4.954 -6.310 1.00 0.00 C ATOM 305 O PHE A 19 14.913 3.928 -6.866 1.00 0.00 O ATOM 306 CB PHE A 19 15.222 7.335 -6.565 1.00 0.00 C ATOM 307 CG PHE A 19 15.447 8.467 -7.526 1.00 0.00 C ATOM 308 CD1 PHE A 19 16.153 8.269 -8.701 1.00 0.00 C ATOM 309 CD2 PHE A 19 14.950 9.731 -7.252 1.00 0.00 C ATOM 310 CE1 PHE A 19 16.359 9.311 -9.586 1.00 0.00 C ATOM 311 CE2 PHE A 19 15.152 10.776 -8.133 1.00 0.00 C ATOM 312 CZ PHE A 19 15.858 10.566 -9.301 1.00 0.00 C ATOM 0 H PHE A 19 12.348 6.136 -6.319 1.00 0.00 H new ATOM 0 HA PHE A 19 14.520 6.061 -8.150 1.00 0.00 H new ATOM 0 HB2 PHE A 19 14.804 7.734 -5.641 1.00 0.00 H new ATOM 0 HB3 PHE A 19 16.184 6.889 -6.313 1.00 0.00 H new ATOM 0 HD1 PHE A 19 16.547 7.290 -8.928 1.00 0.00 H new ATOM 0 HD2 PHE A 19 14.398 9.901 -6.339 1.00 0.00 H new ATOM 0 HE1 PHE A 19 16.911 9.144 -10.499 1.00 0.00 H new ATOM 0 HE2 PHE A 19 14.758 11.756 -7.908 1.00 0.00 H new ATOM 0 HZ PHE A 19 16.018 11.382 -9.990 1.00 0.00 H new ATOM 322 N ARG A 20 14.255 5.020 -5.009 1.00 0.00 N ATOM 323 CA ARG A 20 14.414 3.870 -4.126 1.00 0.00 C ATOM 324 C ARG A 20 13.246 3.802 -3.147 1.00 0.00 C ATOM 325 O ARG A 20 13.383 4.145 -1.972 1.00 0.00 O ATOM 326 CB ARG A 20 15.740 3.953 -3.368 1.00 0.00 C ATOM 327 CG ARG A 20 16.942 3.542 -4.206 1.00 0.00 C ATOM 328 CD ARG A 20 18.062 2.987 -3.341 1.00 0.00 C ATOM 329 NE ARG A 20 18.755 4.040 -2.601 1.00 0.00 N ATOM 330 CZ ARG A 20 19.681 3.807 -1.674 1.00 0.00 C ATOM 331 NH1 ARG A 20 20.030 2.563 -1.371 1.00 0.00 N ATOM 332 NH2 ARG A 20 20.261 4.823 -1.049 1.00 0.00 N ATOM 0 H ARG A 20 13.929 5.865 -4.540 1.00 0.00 H new ATOM 0 HA ARG A 20 14.423 2.963 -4.730 1.00 0.00 H new ATOM 0 HB2 ARG A 20 15.885 4.974 -3.015 1.00 0.00 H new ATOM 0 HB3 ARG A 20 15.686 3.315 -2.486 1.00 0.00 H new ATOM 0 HG2 ARG A 20 16.638 2.791 -4.935 1.00 0.00 H new ATOM 0 HG3 ARG A 20 17.307 4.402 -4.767 1.00 0.00 H new ATOM 0 HD2 ARG A 20 17.652 2.260 -2.639 1.00 0.00 H new ATOM 0 HD3 ARG A 20 18.776 2.455 -3.970 1.00 0.00 H new ATOM 0 HE ARG A 20 18.515 5.010 -2.807 1.00 0.00 H new ATOM 0 HH11 ARG A 20 19.588 1.778 -1.850 1.00 0.00 H new ATOM 0 HH12 ARG A 20 20.740 2.392 -0.659 1.00 0.00 H new ATOM 0 HH21 ARG A 20 19.997 5.781 -1.279 1.00 0.00 H new ATOM 0 HH22 ARG A 20 20.971 4.646 -0.338 1.00 0.00 H new ATOM 346 N PRO A 21 12.069 3.376 -3.635 1.00 0.00 N ATOM 347 CA PRO A 21 10.851 3.280 -2.823 1.00 0.00 C ATOM 348 C PRO A 21 11.039 2.519 -1.518 1.00 0.00 C ATOM 349 O PRO A 21 12.156 2.176 -1.132 1.00 0.00 O ATOM 350 CB PRO A 21 9.880 2.531 -3.731 1.00 0.00 C ATOM 351 CG PRO A 21 10.334 2.847 -5.112 1.00 0.00 C ATOM 352 CD PRO A 21 11.829 2.974 -5.034 1.00 0.00 C ATOM 0 HA PRO A 21 10.512 4.268 -2.512 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.908 1.458 -3.541 1.00 0.00 H new ATOM 0 HB3 PRO A 21 8.853 2.857 -3.567 1.00 0.00 H new ATOM 0 HG2 PRO A 21 10.045 2.060 -5.808 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.881 3.772 -5.470 1.00 0.00 H new ATOM 0 HD2 PRO A 21 12.325 2.033 -5.272 1.00 0.00 H new ATOM 0 HD3 PRO A 21 12.206 3.718 -5.736 1.00 0.00 H new ATOM 360 N PHE A 22 9.922 2.269 -0.845 1.00 0.00 N ATOM 361 CA PHE A 22 9.921 1.557 0.425 1.00 0.00 C ATOM 362 C PHE A 22 9.708 0.061 0.212 1.00 0.00 C ATOM 363 O PHE A 22 10.219 -0.761 0.972 1.00 0.00 O ATOM 364 CB PHE A 22 8.824 2.126 1.331 1.00 0.00 C ATOM 365 CG PHE A 22 8.546 1.292 2.546 1.00 0.00 C ATOM 366 CD1 PHE A 22 9.583 0.871 3.359 1.00 0.00 C ATOM 367 CD2 PHE A 22 7.250 0.932 2.873 1.00 0.00 C ATOM 368 CE1 PHE A 22 9.334 0.103 4.480 1.00 0.00 C ATOM 369 CE2 PHE A 22 6.993 0.164 3.994 1.00 0.00 C ATOM 370 CZ PHE A 22 8.037 -0.251 4.799 1.00 0.00 C ATOM 0 H PHE A 22 8.996 2.553 -1.164 1.00 0.00 H new ATOM 0 HA PHE A 22 10.891 1.693 0.902 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.112 3.128 1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.905 2.226 0.753 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.598 1.146 3.115 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.431 1.254 2.246 1.00 0.00 H new ATOM 0 HE1 PHE A 22 10.152 -0.220 5.106 1.00 0.00 H new ATOM 0 HE2 PHE A 22 5.978 -0.111 4.240 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.840 -0.851 5.675 1.00 0.00 H new ATOM 380 N VAL A 23 8.950 -0.285 -0.824 1.00 0.00 N ATOM 381 CA VAL A 23 8.673 -1.683 -1.130 1.00 0.00 C ATOM 382 C VAL A 23 9.932 -2.416 -1.586 1.00 0.00 C ATOM 383 O VAL A 23 9.933 -3.641 -1.697 1.00 0.00 O ATOM 384 CB VAL A 23 7.582 -1.822 -2.210 1.00 0.00 C ATOM 385 CG1 VAL A 23 6.307 -1.115 -1.776 1.00 0.00 C ATOM 386 CG2 VAL A 23 8.072 -1.281 -3.544 1.00 0.00 C ATOM 0 H VAL A 23 8.518 0.382 -1.464 1.00 0.00 H new ATOM 0 HA VAL A 23 8.314 -2.138 -0.207 1.00 0.00 H new ATOM 0 HB VAL A 23 7.359 -2.881 -2.336 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.549 -1.224 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.944 -1.557 -0.848 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.514 -0.057 -1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.286 -1.389 -4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.328 -0.227 -3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.953 -1.838 -3.861 1.00 0.00 H new ATOM 396 N ASP A 24 11.007 -1.669 -1.843 1.00 0.00 N ATOM 397 CA ASP A 24 12.267 -2.270 -2.276 1.00 0.00 C ATOM 398 C ASP A 24 12.634 -3.452 -1.386 1.00 0.00 C ATOM 399 O ASP A 24 13.287 -4.396 -1.830 1.00 0.00 O ATOM 400 CB ASP A 24 13.389 -1.230 -2.258 1.00 0.00 C ATOM 401 CG ASP A 24 14.501 -1.565 -3.233 1.00 0.00 C ATOM 402 OD1 ASP A 24 14.629 -2.751 -3.603 1.00 0.00 O ATOM 403 OD2 ASP A 24 15.246 -0.642 -3.625 1.00 0.00 O ATOM 0 H ASP A 24 11.030 -0.653 -1.759 1.00 0.00 H new ATOM 0 HA ASP A 24 12.139 -2.631 -3.296 1.00 0.00 H new ATOM 0 HB2 ASP A 24 12.977 -0.251 -2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 24 13.801 -1.160 -1.251 1.00 0.00 H new ATOM 408 N TYR A 25 12.196 -3.400 -0.132 1.00 0.00 N ATOM 409 CA TYR A 25 12.465 -4.476 0.811 1.00 0.00 C ATOM 410 C TYR A 25 11.870 -5.783 0.293 1.00 0.00 C ATOM 411 O TYR A 25 12.436 -6.860 0.485 1.00 0.00 O ATOM 412 CB TYR A 25 11.897 -4.131 2.193 1.00 0.00 C ATOM 413 CG TYR A 25 10.418 -4.423 2.347 1.00 0.00 C ATOM 414 CD1 TYR A 25 9.471 -3.722 1.612 1.00 0.00 C ATOM 415 CD2 TYR A 25 9.974 -5.402 3.228 1.00 0.00 C ATOM 416 CE1 TYR A 25 8.121 -3.986 1.751 1.00 0.00 C ATOM 417 CE2 TYR A 25 8.626 -5.672 3.371 1.00 0.00 C ATOM 418 CZ TYR A 25 7.705 -4.963 2.631 1.00 0.00 C ATOM 419 OH TYR A 25 6.362 -5.229 2.772 1.00 0.00 O ATOM 0 H TYR A 25 11.655 -2.626 0.252 1.00 0.00 H new ATOM 0 HA TYR A 25 13.544 -4.599 0.909 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.447 -4.691 2.950 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.070 -3.073 2.391 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.794 -2.958 0.920 1.00 0.00 H new ATOM 0 HD2 TYR A 25 10.693 -5.960 3.809 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.397 -3.430 1.174 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.296 -6.436 4.060 1.00 0.00 H new ATOM 0 HH TYR A 25 6.238 -5.945 3.430 1.00 0.00 H new ATOM 429 N LYS A 26 10.725 -5.671 -0.378 1.00 0.00 N ATOM 430 CA LYS A 26 10.052 -6.834 -0.940 1.00 0.00 C ATOM 431 C LYS A 26 10.968 -7.552 -1.924 1.00 0.00 C ATOM 432 O LYS A 26 10.938 -8.777 -2.041 1.00 0.00 O ATOM 433 CB LYS A 26 8.754 -6.421 -1.636 1.00 0.00 C ATOM 434 CG LYS A 26 7.764 -7.563 -1.805 1.00 0.00 C ATOM 435 CD LYS A 26 6.516 -7.114 -2.547 1.00 0.00 C ATOM 436 CE LYS A 26 5.939 -8.237 -3.394 1.00 0.00 C ATOM 437 NZ LYS A 26 5.512 -9.396 -2.564 1.00 0.00 N ATOM 0 H LYS A 26 10.246 -4.786 -0.544 1.00 0.00 H new ATOM 0 HA LYS A 26 9.807 -7.515 -0.125 1.00 0.00 H new ATOM 0 HB2 LYS A 26 8.282 -5.624 -1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.992 -6.010 -2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.238 -8.379 -2.350 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.486 -7.953 -0.826 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.767 -6.775 -1.831 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.756 -6.263 -3.184 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.086 -7.863 -3.961 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.684 -8.565 -4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.063 -10.111 -3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.342 -9.812 -2.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 4.832 -9.076 -1.845 1.00 0.00 H new ATOM 451 N ALA A 27 11.795 -6.778 -2.619 1.00 0.00 N ATOM 452 CA ALA A 27 12.735 -7.339 -3.578 1.00 0.00 C ATOM 453 C ALA A 27 13.818 -8.131 -2.855 1.00 0.00 C ATOM 454 O ALA A 27 14.410 -9.052 -3.418 1.00 0.00 O ATOM 455 CB ALA A 27 13.354 -6.235 -4.421 1.00 0.00 C ATOM 0 H ALA A 27 11.832 -5.762 -2.535 1.00 0.00 H new ATOM 0 HA ALA A 27 12.195 -8.016 -4.240 1.00 0.00 H new ATOM 0 HB1 ALA A 27 14.055 -6.671 -5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 27 12.569 -5.706 -4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 27 13.883 -5.536 -3.773 1.00 0.00 H new ATOM 461 N GLY A 28 14.072 -7.762 -1.601 1.00 0.00 N ATOM 462 CA GLY A 28 15.084 -8.444 -0.816 1.00 0.00 C ATOM 463 C GLY A 28 14.533 -9.061 0.459 1.00 0.00 C ATOM 464 O GLY A 28 15.267 -9.230 1.433 1.00 0.00 O ATOM 0 H GLY A 28 13.594 -7.003 -1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.541 -9.226 -1.423 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.873 -7.738 -0.559 1.00 0.00 H new ATOM 468 N LEU A 29 13.239 -9.395 0.455 1.00 0.00 N ATOM 469 CA LEU A 29 12.586 -9.999 1.622 1.00 0.00 C ATOM 470 C LEU A 29 13.500 -10.979 2.347 1.00 0.00 C ATOM 471 O LEU A 29 13.969 -10.713 3.453 1.00 0.00 O ATOM 472 CB LEU A 29 11.306 -10.722 1.200 1.00 0.00 C ATOM 473 CG LEU A 29 10.197 -9.816 0.671 1.00 0.00 C ATOM 474 CD1 LEU A 29 9.280 -10.584 -0.268 1.00 0.00 C ATOM 475 CD2 LEU A 29 9.405 -9.217 1.824 1.00 0.00 C ATOM 0 H LEU A 29 12.621 -9.257 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 29 12.346 -9.187 2.308 1.00 0.00 H new ATOM 0 HB2 LEU A 29 11.556 -11.452 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.923 -11.279 2.055 1.00 0.00 H new ATOM 0 HG LEU A 29 10.655 -9.002 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.496 -9.921 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 29 9.858 -10.963 -1.111 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.828 -11.419 0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.618 -8.574 1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.958 -10.018 2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.071 -8.630 2.456 1.00 0.00 H new ATOM 487 N GLU A 30 13.735 -12.109 1.710 1.00 0.00 N ATOM 488 CA GLU A 30 14.582 -13.150 2.274 1.00 0.00 C ATOM 489 C GLU A 30 14.726 -14.313 1.300 1.00 0.00 C ATOM 490 O GLU A 30 13.884 -15.209 1.258 1.00 0.00 O ATOM 491 CB GLU A 30 14.004 -13.649 3.599 1.00 0.00 C ATOM 492 CG GLU A 30 14.843 -14.729 4.263 1.00 0.00 C ATOM 493 CD GLU A 30 16.128 -14.184 4.856 1.00 0.00 C ATOM 494 OE1 GLU A 30 16.559 -13.089 4.438 1.00 0.00 O ATOM 495 OE2 GLU A 30 16.704 -14.853 5.740 1.00 0.00 O ATOM 0 H GLU A 30 13.349 -12.334 0.793 1.00 0.00 H new ATOM 0 HA GLU A 30 15.568 -12.723 2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.906 -12.806 4.283 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.000 -14.037 3.424 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.258 -15.207 5.049 1.00 0.00 H new ATOM 0 HG3 GLU A 30 15.083 -15.500 3.531 1.00 0.00 H new ATOM 502 N LYS A 31 15.799 -14.281 0.515 1.00 0.00 N ATOM 503 CA LYS A 31 16.079 -15.322 -0.476 1.00 0.00 C ATOM 504 C LYS A 31 15.298 -15.073 -1.759 1.00 0.00 C ATOM 505 O LYS A 31 14.778 -16.002 -2.377 1.00 0.00 O ATOM 506 CB LYS A 31 15.757 -16.715 0.077 1.00 0.00 C ATOM 507 CG LYS A 31 16.429 -17.844 -0.690 1.00 0.00 C ATOM 508 CD LYS A 31 17.202 -18.769 0.236 1.00 0.00 C ATOM 509 CE LYS A 31 16.282 -19.469 1.221 1.00 0.00 C ATOM 510 NZ LYS A 31 16.998 -19.870 2.463 1.00 0.00 N ATOM 0 H LYS A 31 16.497 -13.538 0.545 1.00 0.00 H new ATOM 0 HA LYS A 31 17.144 -15.282 -0.703 1.00 0.00 H new ATOM 0 HB2 LYS A 31 16.065 -16.762 1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 31 14.678 -16.865 0.056 1.00 0.00 H new ATOM 0 HG2 LYS A 31 15.675 -18.417 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 31 17.106 -17.426 -1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 31 17.737 -19.513 -0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 31 17.952 -18.196 0.781 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.454 -18.808 1.477 1.00 0.00 H new ATOM 0 HE3 LYS A 31 15.851 -20.352 0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.335 -20.344 3.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 17.772 -20.521 2.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 17.388 -19.025 2.927 1.00 0.00 H new ATOM 524 N LYS A 32 15.233 -13.809 -2.158 1.00 0.00 N ATOM 525 CA LYS A 32 14.529 -13.421 -3.374 1.00 0.00 C ATOM 526 C LYS A 32 15.517 -13.207 -4.517 1.00 0.00 C ATOM 527 O LYS A 32 16.709 -13.481 -4.376 1.00 0.00 O ATOM 528 CB LYS A 32 13.717 -12.144 -3.136 1.00 0.00 C ATOM 529 CG LYS A 32 12.248 -12.403 -2.840 1.00 0.00 C ATOM 530 CD LYS A 32 11.516 -12.938 -4.063 1.00 0.00 C ATOM 531 CE LYS A 32 10.630 -11.878 -4.696 1.00 0.00 C ATOM 532 NZ LYS A 32 9.238 -12.367 -4.902 1.00 0.00 N ATOM 0 H LYS A 32 15.661 -13.032 -1.655 1.00 0.00 H new ATOM 0 HA LYS A 32 13.846 -14.226 -3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.155 -11.595 -2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.795 -11.505 -4.016 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.162 -13.118 -2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.775 -11.479 -2.507 1.00 0.00 H new ATOM 0 HD2 LYS A 32 12.242 -13.291 -4.796 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.909 -13.797 -3.777 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.613 -10.992 -4.061 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.054 -11.575 -5.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.666 -11.614 -5.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.251 -13.197 -5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.824 -12.632 -3.986 1.00 0.00 H new ATOM 546 N LYS A 33 15.019 -12.716 -5.645 1.00 0.00 N ATOM 547 CA LYS A 33 15.867 -12.465 -6.805 1.00 0.00 C ATOM 548 C LYS A 33 15.837 -10.989 -7.188 1.00 0.00 C ATOM 549 O LYS A 33 14.811 -10.471 -7.626 1.00 0.00 O ATOM 550 CB LYS A 33 15.422 -13.326 -7.990 1.00 0.00 C ATOM 551 CG LYS A 33 16.497 -14.285 -8.478 1.00 0.00 C ATOM 552 CD LYS A 33 16.672 -14.209 -9.987 1.00 0.00 C ATOM 553 CE LYS A 33 17.569 -15.325 -10.499 1.00 0.00 C ATOM 554 NZ LYS A 33 18.961 -14.851 -10.742 1.00 0.00 N ATOM 0 H LYS A 33 14.035 -12.484 -5.782 1.00 0.00 H new ATOM 0 HA LYS A 33 16.890 -12.733 -6.541 1.00 0.00 H new ATOM 0 HB2 LYS A 33 14.539 -13.897 -7.703 1.00 0.00 H new ATOM 0 HB3 LYS A 33 15.127 -12.674 -8.812 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.443 -14.051 -7.989 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.234 -15.303 -8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.698 -14.272 -10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.100 -13.244 -10.257 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.584 -16.140 -9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.156 -15.728 -11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.541 -15.641 -11.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 18.950 -14.091 -11.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.365 -14.490 -9.854 1.00 0.00 H new ATOM 568 N LEU A 34 16.972 -10.316 -7.021 1.00 0.00 N ATOM 569 CA LEU A 34 17.076 -8.900 -7.350 1.00 0.00 C ATOM 570 C LEU A 34 17.567 -8.710 -8.782 1.00 0.00 C ATOM 571 O LEU A 34 18.465 -7.908 -9.041 1.00 0.00 O ATOM 572 CB LEU A 34 18.021 -8.193 -6.374 1.00 0.00 C ATOM 573 CG LEU A 34 17.944 -8.684 -4.926 1.00 0.00 C ATOM 574 CD1 LEU A 34 19.048 -9.690 -4.643 1.00 0.00 C ATOM 575 CD2 LEU A 34 18.029 -7.510 -3.961 1.00 0.00 C ATOM 0 H LEU A 34 17.832 -10.729 -6.660 1.00 0.00 H new ATOM 0 HA LEU A 34 16.083 -8.459 -7.264 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.044 -8.316 -6.729 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.804 -7.125 -6.391 1.00 0.00 H new ATOM 0 HG LEU A 34 16.984 -9.180 -4.781 1.00 0.00 H new ATOM 0 HD11 LEU A 34 18.977 -10.027 -3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 34 18.942 -10.544 -5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.018 -9.221 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.973 -7.877 -2.936 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.974 -6.986 -4.108 1.00 0.00 H new ATOM 0 HD23 LEU A 34 17.202 -6.825 -4.147 1.00 0.00 H new ATOM 587 N SER A 35 16.970 -9.451 -9.709 1.00 0.00 N ATOM 588 CA SER A 35 17.344 -9.363 -11.115 1.00 0.00 C ATOM 589 C SER A 35 16.354 -8.495 -11.885 1.00 0.00 C ATOM 590 O SER A 35 16.124 -8.707 -13.075 1.00 0.00 O ATOM 591 CB SER A 35 17.409 -10.760 -11.736 1.00 0.00 C ATOM 592 OG SER A 35 16.113 -11.314 -11.886 1.00 0.00 O ATOM 0 H SER A 35 16.225 -10.119 -9.512 1.00 0.00 H new ATOM 0 HA SER A 35 18.330 -8.901 -11.177 1.00 0.00 H new ATOM 0 HB2 SER A 35 17.899 -10.707 -12.708 1.00 0.00 H new ATOM 0 HB3 SER A 35 18.016 -11.412 -11.108 1.00 0.00 H new ATOM 0 HG SER A 35 15.492 -10.865 -11.275 1.00 0.00 H new ATOM 598 N ASP A 36 15.772 -7.518 -11.194 1.00 0.00 N ATOM 599 CA ASP A 36 14.802 -6.610 -11.803 1.00 0.00 C ATOM 600 C ASP A 36 13.487 -7.331 -12.111 1.00 0.00 C ATOM 601 O ASP A 36 12.624 -6.797 -12.809 1.00 0.00 O ATOM 602 CB ASP A 36 15.401 -5.960 -13.068 1.00 0.00 C ATOM 603 CG ASP A 36 14.720 -6.379 -14.362 1.00 0.00 C ATOM 604 OD1 ASP A 36 14.579 -7.598 -14.595 1.00 0.00 O ATOM 605 OD2 ASP A 36 14.329 -5.485 -15.142 1.00 0.00 O ATOM 0 H ASP A 36 15.956 -7.334 -10.208 1.00 0.00 H new ATOM 0 HA ASP A 36 14.574 -5.818 -11.090 1.00 0.00 H new ATOM 0 HB2 ASP A 36 15.338 -4.876 -12.971 1.00 0.00 H new ATOM 0 HB3 ASP A 36 16.459 -6.214 -13.128 1.00 0.00 H new ATOM 610 N ASP A 37 13.333 -8.540 -11.580 1.00 0.00 N ATOM 611 CA ASP A 37 12.119 -9.322 -11.799 1.00 0.00 C ATOM 612 C ASP A 37 11.052 -9.006 -10.750 1.00 0.00 C ATOM 613 O ASP A 37 10.058 -9.722 -10.634 1.00 0.00 O ATOM 614 CB ASP A 37 12.444 -10.816 -11.776 1.00 0.00 C ATOM 615 CG ASP A 37 12.993 -11.267 -10.437 1.00 0.00 C ATOM 616 OD1 ASP A 37 12.187 -11.654 -9.565 1.00 0.00 O ATOM 617 OD2 ASP A 37 14.229 -11.233 -10.260 1.00 0.00 O ATOM 0 H ASP A 37 14.032 -9.000 -10.996 1.00 0.00 H new ATOM 0 HA ASP A 37 11.721 -9.052 -12.777 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.543 -11.385 -12.006 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.170 -11.039 -12.557 1.00 0.00 H new ATOM 622 N ASP A 38 11.262 -7.936 -9.986 1.00 0.00 N ATOM 623 CA ASP A 38 10.311 -7.539 -8.952 1.00 0.00 C ATOM 624 C ASP A 38 9.139 -6.768 -9.553 1.00 0.00 C ATOM 625 O ASP A 38 9.307 -5.656 -10.052 1.00 0.00 O ATOM 626 CB ASP A 38 11.008 -6.682 -7.893 1.00 0.00 C ATOM 627 CG ASP A 38 10.322 -6.762 -6.543 1.00 0.00 C ATOM 628 OD1 ASP A 38 9.585 -7.743 -6.308 1.00 0.00 O ATOM 629 OD2 ASP A 38 10.524 -5.845 -5.719 1.00 0.00 O ATOM 0 H ASP A 38 12.079 -7.331 -10.063 1.00 0.00 H new ATOM 0 HA ASP A 38 9.924 -8.444 -8.484 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.044 -7.006 -7.791 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.030 -5.644 -8.226 1.00 0.00 H new ATOM 634 N GLU A 39 7.953 -7.364 -9.496 1.00 0.00 N ATOM 635 CA GLU A 39 6.752 -6.731 -10.031 1.00 0.00 C ATOM 636 C GLU A 39 5.777 -6.390 -8.910 1.00 0.00 C ATOM 637 O GLU A 39 5.299 -7.274 -8.200 1.00 0.00 O ATOM 638 CB GLU A 39 6.076 -7.649 -11.051 1.00 0.00 C ATOM 639 CG GLU A 39 7.044 -8.277 -12.041 1.00 0.00 C ATOM 640 CD GLU A 39 7.271 -9.753 -11.778 1.00 0.00 C ATOM 641 OE1 GLU A 39 7.577 -10.110 -10.621 1.00 0.00 O ATOM 642 OE2 GLU A 39 7.142 -10.552 -12.730 1.00 0.00 O ATOM 0 H GLU A 39 7.797 -8.284 -9.085 1.00 0.00 H new ATOM 0 HA GLU A 39 7.047 -5.807 -10.528 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.548 -8.441 -10.520 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.327 -7.079 -11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.659 -8.147 -13.052 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.998 -7.752 -11.993 1.00 0.00 H new ATOM 649 N ILE A 40 5.488 -5.102 -8.753 1.00 0.00 N ATOM 650 CA ILE A 40 4.574 -4.646 -7.713 1.00 0.00 C ATOM 651 C ILE A 40 3.765 -3.438 -8.180 1.00 0.00 C ATOM 652 O ILE A 40 4.093 -2.813 -9.188 1.00 0.00 O ATOM 653 CB ILE A 40 5.333 -4.274 -6.420 1.00 0.00 C ATOM 654 CG1 ILE A 40 6.438 -5.294 -6.133 1.00 0.00 C ATOM 655 CG2 ILE A 40 4.374 -4.187 -5.242 1.00 0.00 C ATOM 656 CD1 ILE A 40 7.692 -5.073 -6.951 1.00 0.00 C ATOM 0 H ILE A 40 5.874 -4.356 -9.333 1.00 0.00 H new ATOM 0 HA ILE A 40 3.897 -5.474 -7.503 1.00 0.00 H new ATOM 0 HB ILE A 40 5.793 -3.296 -6.563 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.693 -5.253 -5.074 1.00 0.00 H new ATOM 0 HG13 ILE A 40 6.057 -6.296 -6.331 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.928 -3.924 -4.341 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.621 -3.424 -5.441 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.885 -5.151 -5.099 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.431 -5.832 -6.696 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.452 -5.143 -8.012 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.097 -4.084 -6.736 1.00 0.00 H new ATOM 668 N ALA A 41 2.708 -3.117 -7.440 1.00 0.00 N ATOM 669 CA ALA A 41 1.853 -1.983 -7.769 1.00 0.00 C ATOM 670 C ALA A 41 1.489 -1.201 -6.510 1.00 0.00 C ATOM 671 O ALA A 41 0.830 -1.726 -5.613 1.00 0.00 O ATOM 672 CB ALA A 41 0.594 -2.459 -8.481 1.00 0.00 C ATOM 0 H ALA A 41 2.423 -3.629 -6.605 1.00 0.00 H new ATOM 0 HA ALA A 41 2.402 -1.320 -8.438 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.035 -1.601 -8.720 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.869 -2.975 -9.401 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.045 -3.142 -7.832 1.00 0.00 H new ATOM 678 N ILE A 42 1.926 0.053 -6.445 1.00 0.00 N ATOM 679 CA ILE A 42 1.648 0.895 -5.287 1.00 0.00 C ATOM 680 C ILE A 42 0.307 1.606 -5.428 1.00 0.00 C ATOM 681 O ILE A 42 -0.074 2.027 -6.520 1.00 0.00 O ATOM 682 CB ILE A 42 2.762 1.941 -5.070 1.00 0.00 C ATOM 683 CG1 ILE A 42 2.601 2.616 -3.706 1.00 0.00 C ATOM 684 CG2 ILE A 42 2.757 2.979 -6.185 1.00 0.00 C ATOM 685 CD1 ILE A 42 3.483 2.018 -2.630 1.00 0.00 C ATOM 0 H ILE A 42 2.472 0.507 -7.177 1.00 0.00 H new ATOM 0 HA ILE A 42 1.610 0.236 -4.420 1.00 0.00 H new ATOM 0 HB ILE A 42 3.723 1.426 -5.092 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.830 3.677 -3.805 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.559 2.543 -3.394 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.551 3.705 -6.010 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.922 2.485 -7.143 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.795 3.491 -6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.318 2.544 -1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.238 0.963 -2.503 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.529 2.115 -2.921 1.00 0.00 H new ATOM 697 N ILE A 43 -0.405 1.737 -4.313 1.00 0.00 N ATOM 698 CA ILE A 43 -1.703 2.399 -4.310 1.00 0.00 C ATOM 699 C ILE A 43 -1.933 3.152 -3.006 1.00 0.00 C ATOM 700 O ILE A 43 -1.551 2.685 -1.932 1.00 0.00 O ATOM 701 CB ILE A 43 -2.848 1.391 -4.518 1.00 0.00 C ATOM 702 CG1 ILE A 43 -2.542 0.475 -5.704 1.00 0.00 C ATOM 703 CG2 ILE A 43 -4.166 2.123 -4.730 1.00 0.00 C ATOM 704 CD1 ILE A 43 -3.622 -0.550 -5.972 1.00 0.00 C ATOM 0 H ILE A 43 -0.104 1.393 -3.401 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.699 3.107 -5.138 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.938 0.775 -3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.402 1.085 -6.597 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.600 -0.042 -5.520 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.966 1.397 -4.876 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.387 2.736 -3.856 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.090 2.761 -5.610 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.337 -1.164 -6.826 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.747 -1.185 -5.095 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.561 -0.041 -6.188 1.00 0.00 H new ATOM 716 N SER A 44 -2.561 4.319 -3.107 1.00 0.00 N ATOM 717 CA SER A 44 -2.847 5.144 -1.939 1.00 0.00 C ATOM 718 C SER A 44 -4.032 6.065 -2.208 1.00 0.00 C ATOM 719 O SER A 44 -4.235 6.518 -3.335 1.00 0.00 O ATOM 720 CB SER A 44 -1.616 5.968 -1.556 1.00 0.00 C ATOM 721 OG SER A 44 -1.969 7.056 -0.719 1.00 0.00 O ATOM 0 H SER A 44 -2.883 4.716 -3.990 1.00 0.00 H new ATOM 0 HA SER A 44 -3.102 4.485 -1.109 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.894 5.332 -1.045 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.130 6.342 -2.457 1.00 0.00 H new ATOM 0 HG SER A 44 -1.164 7.565 -0.488 1.00 0.00 H new ATOM 727 N ILE A 45 -4.815 6.340 -1.169 1.00 0.00 N ATOM 728 CA ILE A 45 -5.981 7.206 -1.304 1.00 0.00 C ATOM 729 C ILE A 45 -5.881 8.416 -0.375 1.00 0.00 C ATOM 730 O ILE A 45 -5.491 9.503 -0.802 1.00 0.00 O ATOM 731 CB ILE A 45 -7.289 6.437 -1.018 1.00 0.00 C ATOM 732 CG1 ILE A 45 -7.437 5.262 -1.990 1.00 0.00 C ATOM 733 CG2 ILE A 45 -8.493 7.365 -1.115 1.00 0.00 C ATOM 734 CD1 ILE A 45 -7.225 3.912 -1.342 1.00 0.00 C ATOM 0 H ILE A 45 -4.664 5.977 -0.228 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.002 7.556 -2.336 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.243 6.045 -0.002 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.432 5.291 -2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.722 5.382 -2.804 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -9.404 6.802 -0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.392 8.170 -0.387 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -8.546 7.788 -2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.345 3.127 -2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.220 3.863 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.957 3.771 -0.547 1.00 0.00 H new ATOM 746 N LYS A 46 -6.233 8.225 0.894 1.00 0.00 N ATOM 747 CA LYS A 46 -6.181 9.306 1.872 1.00 0.00 C ATOM 748 C LYS A 46 -6.609 8.816 3.252 1.00 0.00 C ATOM 749 O LYS A 46 -7.328 9.508 3.973 1.00 0.00 O ATOM 750 CB LYS A 46 -7.080 10.464 1.433 1.00 0.00 C ATOM 751 CG LYS A 46 -8.552 10.090 1.343 1.00 0.00 C ATOM 752 CD LYS A 46 -9.366 10.746 2.449 1.00 0.00 C ATOM 753 CE LYS A 46 -10.209 11.893 1.916 1.00 0.00 C ATOM 754 NZ LYS A 46 -10.301 13.015 2.890 1.00 0.00 N ATOM 0 H LYS A 46 -6.557 7.333 1.268 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.150 9.655 1.932 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.965 11.289 2.136 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.745 10.825 0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.946 10.392 0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.657 9.007 1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.014 10.003 2.915 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.696 11.116 3.225 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.778 12.257 0.983 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.211 11.530 1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.884 13.777 2.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -10.735 12.675 3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.348 13.379 3.092 1.00 0.00 H new ATOM 768 N GLY A 47 -6.160 7.619 3.616 1.00 0.00 N ATOM 769 CA GLY A 47 -6.506 7.062 4.910 1.00 0.00 C ATOM 770 C GLY A 47 -5.503 7.422 5.991 1.00 0.00 C ATOM 771 O GLY A 47 -5.500 6.822 7.065 1.00 0.00 O ATOM 0 H GLY A 47 -5.564 7.026 3.039 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.493 7.420 5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.572 5.977 4.828 1.00 0.00 H new ATOM 775 N THR A 48 -4.647 8.402 5.703 1.00 0.00 N ATOM 776 CA THR A 48 -3.631 8.843 6.657 1.00 0.00 C ATOM 777 C THR A 48 -2.623 7.732 6.952 1.00 0.00 C ATOM 778 O THR A 48 -1.833 7.837 7.890 1.00 0.00 O ATOM 779 CB THR A 48 -4.284 9.314 7.960 1.00 0.00 C ATOM 780 OG1 THR A 48 -4.531 8.220 8.826 1.00 0.00 O ATOM 781 CG2 THR A 48 -5.598 10.038 7.750 1.00 0.00 C ATOM 0 H THR A 48 -4.637 8.906 4.816 1.00 0.00 H new ATOM 0 HA THR A 48 -3.096 9.678 6.204 1.00 0.00 H new ATOM 0 HB THR A 48 -3.570 10.012 8.398 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.173 7.610 8.407 1.00 0.00 H new ATOM 0 HG21 THR A 48 -6.004 10.343 8.715 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.433 10.920 7.131 1.00 0.00 H new ATOM 0 HG23 THR A 48 -6.304 9.373 7.253 1.00 0.00 H new ATOM 789 N GLN A 49 -2.649 6.671 6.146 1.00 0.00 N ATOM 790 CA GLN A 49 -1.734 5.549 6.326 1.00 0.00 C ATOM 791 C GLN A 49 -1.566 4.772 5.024 1.00 0.00 C ATOM 792 O GLN A 49 -1.292 3.572 5.040 1.00 0.00 O ATOM 793 CB GLN A 49 -2.251 4.610 7.421 1.00 0.00 C ATOM 794 CG GLN A 49 -2.152 5.183 8.825 1.00 0.00 C ATOM 795 CD GLN A 49 -0.721 5.452 9.250 1.00 0.00 C ATOM 796 OE1 GLN A 49 -0.049 6.320 8.693 1.00 0.00 O ATOM 797 NE2 GLN A 49 -0.248 4.706 10.241 1.00 0.00 N ATOM 0 H GLN A 49 -3.294 6.567 5.363 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.765 5.949 6.623 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.292 4.364 7.213 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.689 3.677 7.380 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.722 6.111 8.875 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.611 4.489 9.529 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.841 3.998 10.674 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.708 4.841 10.570 1.00 0.00 H new ATOM 806 N SER A 50 -1.738 5.457 3.897 1.00 0.00 N ATOM 807 CA SER A 50 -1.611 4.821 2.591 1.00 0.00 C ATOM 808 C SER A 50 -2.704 3.774 2.398 1.00 0.00 C ATOM 809 O SER A 50 -3.412 3.424 3.342 1.00 0.00 O ATOM 810 CB SER A 50 -0.232 4.173 2.444 1.00 0.00 C ATOM 811 OG SER A 50 0.287 4.371 1.140 1.00 0.00 O ATOM 0 H SER A 50 -1.965 6.451 3.863 1.00 0.00 H new ATOM 0 HA SER A 50 -1.722 5.588 1.824 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.452 4.596 3.180 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.304 3.105 2.652 1.00 0.00 H new ATOM 0 HG SER A 50 1.169 3.950 1.072 1.00 0.00 H new ATOM 817 N ASN A 51 -2.838 3.277 1.173 1.00 0.00 N ATOM 818 CA ASN A 51 -3.848 2.272 0.870 1.00 0.00 C ATOM 819 C ASN A 51 -3.284 0.862 1.039 1.00 0.00 C ATOM 820 O ASN A 51 -3.288 0.314 2.141 1.00 0.00 O ATOM 821 CB ASN A 51 -4.401 2.478 -0.546 1.00 0.00 C ATOM 822 CG ASN A 51 -5.383 1.395 -0.952 1.00 0.00 C ATOM 823 OD1 ASN A 51 -6.538 1.368 -0.298 1.00 0.00 O flip ATOM 824 ND2 ASN A 51 -5.107 0.593 -1.844 1.00 0.00 N flip ATOM 0 H ASN A 51 -2.262 3.553 0.378 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.669 2.387 1.577 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -4.893 3.449 -0.602 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.574 2.498 -1.256 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.207 0.650 -2.321 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.778 -0.129 -2.106 1.00 0.00 H new ATOM 831 N HIS A 52 -2.808 0.280 -0.051 1.00 0.00 N ATOM 832 CA HIS A 52 -2.247 -1.067 -0.017 1.00 0.00 C ATOM 833 C HIS A 52 -1.238 -1.271 -1.142 1.00 0.00 C ATOM 834 O HIS A 52 -0.862 -0.323 -1.833 1.00 0.00 O ATOM 835 CB HIS A 52 -3.360 -2.114 -0.127 1.00 0.00 C ATOM 836 CG HIS A 52 -4.599 -1.765 0.640 1.00 0.00 C ATOM 837 ND1 HIS A 52 -5.810 -1.329 0.217 1.00 0.00 N flip ATOM 838 CD2 HIS A 52 -4.684 -1.847 2.014 1.00 0.00 C flip ATOM 839 CE1 HIS A 52 -6.593 -1.158 1.332 1.00 0.00 C flip ATOM 840 NE2 HIS A 52 -5.891 -1.478 2.403 1.00 0.00 N flip ATOM 0 H HIS A 52 -2.798 0.718 -0.972 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.733 -1.188 0.936 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.620 -2.245 -1.177 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.981 -3.072 0.230 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -3.887 -2.164 2.670 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.618 -0.817 1.333 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -6.224 -1.446 3.367 1.00 0.00 H new ATOM 849 N VAL A 53 -0.806 -2.515 -1.319 1.00 0.00 N ATOM 850 CA VAL A 53 0.158 -2.851 -2.359 1.00 0.00 C ATOM 851 C VAL A 53 0.018 -4.312 -2.778 1.00 0.00 C ATOM 852 O VAL A 53 -0.132 -5.197 -1.937 1.00 0.00 O ATOM 853 CB VAL A 53 1.605 -2.589 -1.895 1.00 0.00 C ATOM 854 CG1 VAL A 53 1.950 -3.458 -0.694 1.00 0.00 C ATOM 855 CG2 VAL A 53 2.586 -2.826 -3.035 1.00 0.00 C ATOM 0 H VAL A 53 -1.109 -3.308 -0.754 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.056 -2.208 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 53 1.683 -1.545 -1.592 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.975 -3.258 -0.382 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.270 -3.230 0.127 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.852 -4.509 -0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.601 -2.636 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.506 -3.859 -3.375 1.00 0.00 H new ATOM 0 HG23 VAL A 53 2.354 -2.154 -3.861 1.00 0.00 H new ATOM 865 N LEU A 54 0.067 -4.557 -4.085 1.00 0.00 N ATOM 866 CA LEU A 54 -0.056 -5.910 -4.613 1.00 0.00 C ATOM 867 C LEU A 54 1.069 -6.220 -5.594 1.00 0.00 C ATOM 868 O LEU A 54 1.586 -5.326 -6.265 1.00 0.00 O ATOM 869 CB LEU A 54 -1.409 -6.087 -5.306 1.00 0.00 C ATOM 870 CG LEU A 54 -2.627 -5.920 -4.397 1.00 0.00 C ATOM 871 CD1 LEU A 54 -3.814 -5.393 -5.187 1.00 0.00 C ATOM 872 CD2 LEU A 54 -2.975 -7.242 -3.727 1.00 0.00 C ATOM 0 H LEU A 54 0.191 -3.836 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 54 0.014 -6.605 -3.776 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.480 -5.366 -6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.443 -7.079 -5.755 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.382 -5.194 -3.622 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.672 -5.281 -4.524 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.562 -4.426 -5.621 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.061 -6.095 -5.984 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.844 -7.106 -3.083 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.201 -7.988 -4.489 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.129 -7.580 -3.128 1.00 0.00 H new ATOM 884 N PHE A 55 1.444 -7.493 -5.671 1.00 0.00 N ATOM 885 CA PHE A 55 2.506 -7.921 -6.573 1.00 0.00 C ATOM 886 C PHE A 55 1.931 -8.323 -7.929 1.00 0.00 C ATOM 887 O PHE A 55 1.086 -9.213 -8.018 1.00 0.00 O ATOM 888 CB PHE A 55 3.301 -9.079 -5.951 1.00 0.00 C ATOM 889 CG PHE A 55 2.715 -10.443 -6.202 1.00 0.00 C ATOM 890 CD1 PHE A 55 1.512 -10.816 -5.622 1.00 0.00 C ATOM 891 CD2 PHE A 55 3.370 -11.351 -7.019 1.00 0.00 C ATOM 892 CE1 PHE A 55 0.976 -12.069 -5.853 1.00 0.00 C ATOM 893 CE2 PHE A 55 2.839 -12.604 -7.252 1.00 0.00 C ATOM 894 CZ PHE A 55 1.640 -12.964 -6.669 1.00 0.00 C ATOM 0 H PHE A 55 1.029 -8.245 -5.120 1.00 0.00 H new ATOM 0 HA PHE A 55 3.186 -7.084 -6.730 1.00 0.00 H new ATOM 0 HB2 PHE A 55 4.318 -9.057 -6.342 1.00 0.00 H new ATOM 0 HB3 PHE A 55 3.370 -8.919 -4.875 1.00 0.00 H new ATOM 0 HD1 PHE A 55 0.988 -10.120 -4.983 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.307 -11.075 -7.479 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.038 -12.348 -5.396 1.00 0.00 H new ATOM 0 HE2 PHE A 55 3.361 -13.302 -7.890 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.222 -13.943 -6.851 1.00 0.00 H new ATOM 904 N LEU A 56 2.390 -7.655 -8.983 1.00 0.00 N ATOM 905 CA LEU A 56 1.916 -7.938 -10.332 1.00 0.00 C ATOM 906 C LEU A 56 2.252 -9.368 -10.744 1.00 0.00 C ATOM 907 O LEU A 56 3.421 -9.724 -10.894 1.00 0.00 O ATOM 908 CB LEU A 56 2.524 -6.947 -11.328 1.00 0.00 C ATOM 909 CG LEU A 56 1.571 -5.853 -11.811 1.00 0.00 C ATOM 910 CD1 LEU A 56 0.420 -6.461 -12.599 1.00 0.00 C ATOM 911 CD2 LEU A 56 1.046 -5.047 -10.635 1.00 0.00 C ATOM 0 H LEU A 56 3.089 -6.914 -8.928 1.00 0.00 H new ATOM 0 HA LEU A 56 0.832 -7.828 -10.338 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.391 -6.475 -10.865 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.887 -7.501 -12.194 1.00 0.00 H new ATOM 0 HG LEU A 56 2.122 -5.181 -12.469 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.249 -5.669 -12.935 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.813 -6.996 -13.464 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.130 -7.155 -11.963 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.369 -4.273 -10.997 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.510 -5.706 -9.952 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.881 -4.582 -10.111 1.00 0.00 H new ATOM 923 N SER A 57 1.217 -10.181 -10.927 1.00 0.00 N ATOM 924 CA SER A 57 1.397 -11.573 -11.325 1.00 0.00 C ATOM 925 C SER A 57 1.158 -11.744 -12.822 1.00 0.00 C ATOM 926 O SER A 57 1.123 -10.767 -13.570 1.00 0.00 O ATOM 927 CB SER A 57 0.445 -12.476 -10.535 1.00 0.00 C ATOM 928 OG SER A 57 -0.884 -12.359 -11.014 1.00 0.00 O ATOM 0 H SER A 57 0.244 -9.900 -10.806 1.00 0.00 H new ATOM 0 HA SER A 57 2.425 -11.861 -11.105 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.773 -13.512 -10.613 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.479 -12.210 -9.479 1.00 0.00 H new ATOM 0 HG SER A 57 -1.472 -12.946 -10.495 1.00 0.00 H new ATOM 934 N SER A 58 0.995 -12.991 -13.254 1.00 0.00 N ATOM 935 CA SER A 58 0.759 -13.287 -14.663 1.00 0.00 C ATOM 936 C SER A 58 -0.732 -13.457 -14.940 1.00 0.00 C ATOM 937 O SER A 58 -1.249 -14.573 -14.943 1.00 0.00 O ATOM 938 CB SER A 58 1.513 -14.553 -15.074 1.00 0.00 C ATOM 939 OG SER A 58 2.794 -14.237 -15.590 1.00 0.00 O ATOM 0 H SER A 58 1.022 -13.812 -12.649 1.00 0.00 H new ATOM 0 HA SER A 58 1.127 -12.447 -15.252 1.00 0.00 H new ATOM 0 HB2 SER A 58 1.617 -15.214 -14.214 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.938 -15.095 -15.825 1.00 0.00 H new ATOM 0 HG SER A 58 3.257 -15.062 -15.844 1.00 0.00 H new ATOM 945 N TYR A 59 -1.416 -12.340 -15.171 1.00 0.00 N ATOM 946 CA TYR A 59 -2.848 -12.365 -15.447 1.00 0.00 C ATOM 947 C TYR A 59 -3.121 -12.838 -16.872 1.00 0.00 C ATOM 948 O TYR A 59 -2.201 -13.202 -17.603 1.00 0.00 O ATOM 949 CB TYR A 59 -3.455 -10.977 -15.231 1.00 0.00 C ATOM 950 CG TYR A 59 -2.815 -9.898 -16.076 1.00 0.00 C ATOM 951 CD1 TYR A 59 -3.171 -9.728 -17.407 1.00 0.00 C ATOM 952 CD2 TYR A 59 -1.856 -9.048 -15.539 1.00 0.00 C ATOM 953 CE1 TYR A 59 -2.589 -8.742 -18.181 1.00 0.00 C ATOM 954 CE2 TYR A 59 -1.270 -8.059 -16.306 1.00 0.00 C ATOM 955 CZ TYR A 59 -1.640 -7.910 -17.626 1.00 0.00 C ATOM 956 OH TYR A 59 -1.058 -6.927 -18.393 1.00 0.00 O ATOM 0 H TYR A 59 -1.002 -11.408 -15.172 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.313 -13.068 -14.756 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.521 -11.017 -15.454 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.360 -10.708 -14.179 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.915 -10.377 -17.845 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.564 -9.162 -14.506 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.876 -8.624 -19.215 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.526 -7.406 -15.874 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.412 -6.429 -17.851 1.00 0.00 H new ATOM 966 N ASN A 60 -4.393 -12.832 -17.258 1.00 0.00 N ATOM 967 CA ASN A 60 -4.791 -13.261 -18.593 1.00 0.00 C ATOM 968 C ASN A 60 -4.994 -12.063 -19.515 1.00 0.00 C ATOM 969 O ASN A 60 -4.235 -11.859 -20.462 1.00 0.00 O ATOM 970 CB ASN A 60 -6.075 -14.089 -18.524 1.00 0.00 C ATOM 971 CG ASN A 60 -5.856 -15.444 -17.879 1.00 0.00 C ATOM 972 OD1 ASN A 60 -4.914 -15.633 -17.109 1.00 0.00 O ATOM 973 ND2 ASN A 60 -6.727 -16.396 -18.191 1.00 0.00 N ATOM 0 H ASN A 60 -5.167 -12.534 -16.664 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.990 -13.877 -19.001 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.829 -13.539 -17.960 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.469 -14.228 -19.531 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.630 -17.328 -17.788 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.493 -16.196 -18.834 1.00 0.00 H new ATOM 980 N SER A 61 -6.027 -11.274 -19.232 1.00 0.00 N ATOM 981 CA SER A 61 -6.331 -10.097 -20.038 1.00 0.00 C ATOM 982 C SER A 61 -6.361 -8.838 -19.177 1.00 0.00 C ATOM 983 O SER A 61 -6.078 -8.886 -17.981 1.00 0.00 O ATOM 984 CB SER A 61 -7.673 -10.275 -20.749 1.00 0.00 C ATOM 985 OG SER A 61 -7.497 -10.821 -22.044 1.00 0.00 O ATOM 0 H SER A 61 -6.666 -11.428 -18.452 1.00 0.00 H new ATOM 0 HA SER A 61 -5.544 -9.985 -20.783 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.316 -10.929 -20.160 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.179 -9.312 -20.823 1.00 0.00 H new ATOM 0 HG SER A 61 -8.370 -10.926 -22.476 1.00 0.00 H new ATOM 991 N VAL A 62 -6.705 -7.714 -19.796 1.00 0.00 N ATOM 992 CA VAL A 62 -6.772 -6.441 -19.088 1.00 0.00 C ATOM 993 C VAL A 62 -8.214 -6.071 -18.756 1.00 0.00 C ATOM 994 O VAL A 62 -8.577 -4.894 -18.745 1.00 0.00 O ATOM 995 CB VAL A 62 -6.136 -5.304 -19.913 1.00 0.00 C ATOM 996 CG1 VAL A 62 -4.657 -5.577 -20.142 1.00 0.00 C ATOM 997 CG2 VAL A 62 -6.867 -5.126 -21.237 1.00 0.00 C ATOM 0 H VAL A 62 -6.942 -7.659 -20.787 1.00 0.00 H new ATOM 0 HA VAL A 62 -6.210 -6.564 -18.162 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.229 -4.375 -19.350 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -4.223 -4.765 -20.726 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.147 -5.646 -19.181 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.540 -6.516 -20.683 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.402 -4.319 -21.804 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.811 -6.051 -21.811 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.912 -4.880 -21.046 1.00 0.00 H new ATOM 1007 N ASP A 63 -9.032 -7.082 -18.486 1.00 0.00 N ATOM 1008 CA ASP A 63 -10.436 -6.863 -18.153 1.00 0.00 C ATOM 1009 C ASP A 63 -10.697 -7.154 -16.679 1.00 0.00 C ATOM 1010 O ASP A 63 -11.223 -6.310 -15.954 1.00 0.00 O ATOM 1011 CB ASP A 63 -11.332 -7.741 -19.026 1.00 0.00 C ATOM 1012 CG ASP A 63 -12.769 -7.257 -19.051 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -12.980 -6.027 -19.083 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -13.683 -8.109 -19.036 1.00 0.00 O ATOM 0 H ASP A 63 -8.748 -8.062 -18.491 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.670 -5.816 -18.344 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.940 -7.758 -20.043 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.303 -8.766 -18.656 1.00 0.00 H new ATOM 1019 N GLU A 64 -10.327 -8.353 -16.242 1.00 0.00 N ATOM 1020 CA GLU A 64 -10.521 -8.754 -14.853 1.00 0.00 C ATOM 1021 C GLU A 64 -9.528 -8.045 -13.939 1.00 0.00 C ATOM 1022 O GLU A 64 -9.840 -7.731 -12.790 1.00 0.00 O ATOM 1023 CB GLU A 64 -10.369 -10.269 -14.711 1.00 0.00 C ATOM 1024 CG GLU A 64 -8.978 -10.776 -15.055 1.00 0.00 C ATOM 1025 CD GLU A 64 -8.927 -12.284 -15.202 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -9.445 -12.800 -16.213 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -8.366 -12.949 -14.304 1.00 0.00 O ATOM 0 H GLU A 64 -9.891 -9.064 -16.829 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.530 -8.468 -14.556 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.608 -10.555 -13.687 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.096 -10.761 -15.357 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.646 -10.313 -15.984 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -8.280 -10.467 -14.277 1.00 0.00 H new ATOM 1034 N ILE A 65 -8.329 -7.797 -14.457 1.00 0.00 N ATOM 1035 CA ILE A 65 -7.287 -7.127 -13.687 1.00 0.00 C ATOM 1036 C ILE A 65 -7.569 -5.631 -13.571 1.00 0.00 C ATOM 1037 O ILE A 65 -7.212 -4.998 -12.577 1.00 0.00 O ATOM 1038 CB ILE A 65 -5.897 -7.337 -14.322 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -4.806 -6.729 -13.435 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -5.852 -6.733 -15.719 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -3.932 -7.763 -12.759 1.00 0.00 C ATOM 0 H ILE A 65 -8.055 -8.050 -15.406 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.289 -7.570 -12.691 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.713 -8.408 -14.406 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.179 -6.075 -14.041 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.274 -6.106 -12.673 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.864 -6.890 -16.152 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.604 -7.212 -16.347 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.056 -5.664 -15.660 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.182 -7.262 -12.147 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.548 -8.402 -12.126 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.436 -8.371 -13.516 1.00 0.00 H new ATOM 1053 N ARG A 66 -8.208 -5.072 -14.593 1.00 0.00 N ATOM 1054 CA ARG A 66 -8.536 -3.651 -14.606 1.00 0.00 C ATOM 1055 C ARG A 66 -9.546 -3.316 -13.514 1.00 0.00 C ATOM 1056 O ARG A 66 -9.269 -2.511 -12.624 1.00 0.00 O ATOM 1057 CB ARG A 66 -9.092 -3.247 -15.973 1.00 0.00 C ATOM 1058 CG ARG A 66 -8.653 -1.863 -16.422 1.00 0.00 C ATOM 1059 CD ARG A 66 -8.844 -1.677 -17.919 1.00 0.00 C ATOM 1060 NE ARG A 66 -10.068 -0.941 -18.228 1.00 0.00 N ATOM 1061 CZ ARG A 66 -10.655 -0.947 -19.423 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -10.132 -1.645 -20.423 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -11.767 -0.252 -19.618 1.00 0.00 N ATOM 0 H ARG A 66 -8.509 -5.582 -15.424 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.621 -3.091 -14.414 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.775 -3.979 -16.716 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -10.181 -3.280 -15.938 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.225 -1.106 -15.884 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.604 -1.712 -16.166 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -7.987 -1.144 -18.330 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.875 -2.652 -18.404 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.498 -0.390 -17.485 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -9.276 -2.181 -20.278 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.586 -1.646 -21.336 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.172 0.287 -18.853 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.217 -0.256 -20.533 1.00 0.00 H new ATOM 1077 N LYS A 67 -10.719 -3.936 -13.589 1.00 0.00 N ATOM 1078 CA LYS A 67 -11.773 -3.702 -12.607 1.00 0.00 C ATOM 1079 C LYS A 67 -11.303 -4.073 -11.205 1.00 0.00 C ATOM 1080 O LYS A 67 -11.739 -3.482 -10.217 1.00 0.00 O ATOM 1081 CB LYS A 67 -13.022 -4.507 -12.968 1.00 0.00 C ATOM 1082 CG LYS A 67 -12.779 -6.006 -13.044 1.00 0.00 C ATOM 1083 CD LYS A 67 -14.082 -6.786 -12.976 1.00 0.00 C ATOM 1084 CE LYS A 67 -14.744 -6.883 -14.340 1.00 0.00 C ATOM 1085 NZ LYS A 67 -15.805 -7.928 -14.372 1.00 0.00 N ATOM 0 H LYS A 67 -10.964 -4.604 -14.319 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.017 -2.640 -12.619 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.797 -4.310 -12.228 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.403 -4.160 -13.929 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.259 -6.245 -13.972 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.127 -6.312 -12.225 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.888 -7.788 -12.592 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.761 -6.302 -12.274 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.178 -5.918 -14.602 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -13.990 -7.109 -15.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.231 -7.961 -15.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.387 -8.854 -14.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.538 -7.700 -13.671 1.00 0.00 H new ATOM 1099 N GLU A 68 -10.413 -5.057 -11.124 1.00 0.00 N ATOM 1100 CA GLU A 68 -9.886 -5.507 -9.841 1.00 0.00 C ATOM 1101 C GLU A 68 -9.012 -4.434 -9.203 1.00 0.00 C ATOM 1102 O GLU A 68 -9.245 -4.022 -8.067 1.00 0.00 O ATOM 1103 CB GLU A 68 -9.084 -6.798 -10.020 1.00 0.00 C ATOM 1104 CG GLU A 68 -9.887 -8.058 -9.741 1.00 0.00 C ATOM 1105 CD GLU A 68 -10.101 -8.297 -8.260 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -11.107 -7.794 -7.717 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -9.262 -8.985 -7.642 1.00 0.00 O ATOM 0 H GLU A 68 -10.042 -5.558 -11.931 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.730 -5.701 -9.178 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.702 -6.840 -11.040 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.220 -6.774 -9.356 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.855 -7.985 -10.237 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -9.372 -8.916 -10.173 1.00 0.00 H new ATOM 1114 N LEU A 69 -8.001 -3.984 -9.941 1.00 0.00 N ATOM 1115 CA LEU A 69 -7.090 -2.960 -9.446 1.00 0.00 C ATOM 1116 C LEU A 69 -7.816 -1.634 -9.244 1.00 0.00 C ATOM 1117 O LEU A 69 -7.747 -1.037 -8.170 1.00 0.00 O ATOM 1118 CB LEU A 69 -5.921 -2.775 -10.416 1.00 0.00 C ATOM 1119 CG LEU A 69 -4.545 -2.658 -9.758 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -4.173 -3.959 -9.065 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -3.494 -2.280 -10.790 1.00 0.00 C ATOM 0 H LEU A 69 -7.793 -4.313 -10.884 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.703 -3.290 -8.482 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.906 -3.618 -11.107 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.100 -1.879 -11.010 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.587 -1.870 -9.006 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.191 -3.857 -8.603 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.913 -4.187 -8.298 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.147 -4.767 -9.797 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.521 -2.201 -10.306 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.453 -3.046 -11.565 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.754 -1.322 -11.240 1.00 0.00 H new ATOM 1133 N GLU A 70 -8.513 -1.180 -10.281 1.00 0.00 N ATOM 1134 CA GLU A 70 -9.254 0.075 -10.212 1.00 0.00 C ATOM 1135 C GLU A 70 -10.194 0.081 -9.011 1.00 0.00 C ATOM 1136 O GLU A 70 -10.284 1.070 -8.282 1.00 0.00 O ATOM 1137 CB GLU A 70 -10.051 0.296 -11.498 1.00 0.00 C ATOM 1138 CG GLU A 70 -10.668 1.680 -11.601 1.00 0.00 C ATOM 1139 CD GLU A 70 -10.674 2.213 -13.020 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -9.638 2.756 -13.455 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -11.717 2.088 -13.697 1.00 0.00 O ATOM 0 H GLU A 70 -8.580 -1.661 -11.178 1.00 0.00 H new ATOM 0 HA GLU A 70 -8.536 0.887 -10.097 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.396 0.135 -12.354 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.843 -0.451 -11.558 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -11.691 1.646 -11.225 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.116 2.368 -10.961 1.00 0.00 H new ATOM 1148 N GLU A 71 -10.887 -1.035 -8.808 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.814 -1.164 -7.693 1.00 0.00 C ATOM 1150 C GLU A 71 -11.064 -1.150 -6.366 1.00 0.00 C ATOM 1151 O GLU A 71 -11.537 -0.587 -5.379 1.00 0.00 O ATOM 1152 CB GLU A 71 -12.624 -2.456 -7.821 1.00 0.00 C ATOM 1153 CG GLU A 71 -13.632 -2.654 -6.701 1.00 0.00 C ATOM 1154 CD GLU A 71 -14.965 -3.175 -7.201 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -15.016 -4.338 -7.650 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -15.957 -2.418 -7.141 1.00 0.00 O ATOM 0 H GLU A 71 -10.823 -1.862 -9.402 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.496 -0.314 -7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -13.150 -2.452 -8.776 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.940 -3.304 -7.837 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.224 -3.352 -5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.787 -1.706 -6.185 1.00 0.00 H new ATOM 1163 N ALA A 72 -9.887 -1.769 -6.353 1.00 0.00 N ATOM 1164 CA ALA A 72 -9.067 -1.823 -5.149 1.00 0.00 C ATOM 1165 C ALA A 72 -8.211 -0.567 -5.003 1.00 0.00 C ATOM 1166 O ALA A 72 -7.406 -0.460 -4.078 1.00 0.00 O ATOM 1167 CB ALA A 72 -8.190 -3.066 -5.166 1.00 0.00 C ATOM 0 H ALA A 72 -9.481 -2.239 -7.162 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.734 -1.872 -4.288 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.582 -3.095 -4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.819 -3.955 -5.209 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.539 -3.040 -6.040 1.00 0.00 H new ATOM 1173 N GLY A 73 -8.387 0.384 -5.919 1.00 0.00 N ATOM 1174 CA GLY A 73 -7.622 1.613 -5.866 1.00 0.00 C ATOM 1175 C GLY A 73 -8.333 2.707 -5.094 1.00 0.00 C ATOM 1176 O GLY A 73 -7.816 3.205 -4.095 1.00 0.00 O ATOM 0 H GLY A 73 -9.046 0.322 -6.695 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -6.655 1.416 -5.403 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.425 1.958 -6.881 1.00 0.00 H new ATOM 1180 N ALA A 74 -9.520 3.084 -5.559 1.00 0.00 N ATOM 1181 CA ALA A 74 -10.296 4.132 -4.902 1.00 0.00 C ATOM 1182 C ALA A 74 -11.734 3.694 -4.624 1.00 0.00 C ATOM 1183 O ALA A 74 -12.514 4.448 -4.043 1.00 0.00 O ATOM 1184 CB ALA A 74 -10.286 5.398 -5.746 1.00 0.00 C ATOM 0 H ALA A 74 -9.965 2.682 -6.384 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.825 4.333 -3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.868 6.173 -5.247 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.260 5.741 -5.875 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.724 5.188 -6.722 1.00 0.00 H new ATOM 1190 N LYS A 75 -12.087 2.479 -5.039 1.00 0.00 N ATOM 1191 CA LYS A 75 -13.436 1.968 -4.823 1.00 0.00 C ATOM 1192 C LYS A 75 -13.481 1.024 -3.626 1.00 0.00 C ATOM 1193 O LYS A 75 -12.512 0.911 -2.875 1.00 0.00 O ATOM 1194 CB LYS A 75 -13.939 1.244 -6.074 1.00 0.00 C ATOM 1195 CG LYS A 75 -13.725 2.029 -7.359 1.00 0.00 C ATOM 1196 CD LYS A 75 -14.966 2.820 -7.741 1.00 0.00 C ATOM 1197 CE LYS A 75 -15.869 2.029 -8.674 1.00 0.00 C ATOM 1198 NZ LYS A 75 -17.288 2.052 -8.224 1.00 0.00 N ATOM 0 H LYS A 75 -11.462 1.835 -5.523 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.086 2.818 -4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.431 0.283 -6.156 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -15.002 1.034 -5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -12.882 2.709 -7.235 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.466 1.344 -8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -15.518 3.089 -6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.670 3.752 -8.223 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.801 2.441 -9.681 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.522 0.997 -8.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.871 1.502 -8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.358 1.636 -7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.628 3.035 -8.198 1.00 0.00 H new ATOM 1212 N ILE A 76 -14.612 0.349 -3.455 1.00 0.00 N ATOM 1213 CA ILE A 76 -14.788 -0.585 -2.350 1.00 0.00 C ATOM 1214 C ILE A 76 -14.050 -1.897 -2.621 1.00 0.00 C ATOM 1215 O ILE A 76 -13.207 -1.966 -3.516 1.00 0.00 O ATOM 1216 CB ILE A 76 -16.284 -0.877 -2.100 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -16.919 -1.530 -3.329 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -17.017 0.406 -1.740 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -18.064 -2.461 -2.994 1.00 0.00 C ATOM 0 H ILE A 76 -15.422 0.432 -4.069 1.00 0.00 H new ATOM 0 HA ILE A 76 -14.367 -0.118 -1.460 1.00 0.00 H new ATOM 0 HB ILE A 76 -16.366 -1.572 -1.264 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -17.280 -0.750 -4.000 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -16.154 -2.087 -3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -18.070 0.187 -1.566 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -16.581 0.833 -0.837 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -16.925 1.120 -2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -18.466 -2.888 -3.913 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -17.705 -3.262 -2.348 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -18.847 -1.904 -2.480 1.00 0.00 H new ATOM 1231 N ASN A 77 -14.369 -2.931 -1.843 1.00 0.00 N ATOM 1232 CA ASN A 77 -13.737 -4.240 -1.995 1.00 0.00 C ATOM 1233 C ASN A 77 -12.344 -4.248 -1.375 1.00 0.00 C ATOM 1234 O ASN A 77 -11.351 -3.973 -2.048 1.00 0.00 O ATOM 1235 CB ASN A 77 -13.654 -4.637 -3.473 1.00 0.00 C ATOM 1236 CG ASN A 77 -13.466 -6.130 -3.661 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -12.500 -6.572 -4.283 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -14.392 -6.916 -3.125 1.00 0.00 N ATOM 0 H ASN A 77 -15.064 -2.886 -1.098 1.00 0.00 H new ATOM 0 HA ASN A 77 -14.355 -4.969 -1.471 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -14.564 -4.321 -3.983 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -12.825 -4.107 -3.943 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -14.319 -7.929 -3.221 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -15.176 -6.507 -2.617 1.00 0.00 H new ATOM 1245 N HIS A 78 -12.282 -4.567 -0.086 1.00 0.00 N ATOM 1246 CA HIS A 78 -11.014 -4.613 0.632 1.00 0.00 C ATOM 1247 C HIS A 78 -11.227 -5.040 2.081 1.00 0.00 C ATOM 1248 O HIS A 78 -12.351 -5.327 2.495 1.00 0.00 O ATOM 1249 CB HIS A 78 -10.323 -3.248 0.582 1.00 0.00 C ATOM 1250 CG HIS A 78 -9.063 -3.247 -0.228 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -8.920 -2.527 -1.396 1.00 0.00 N ATOM 1252 CD2 HIS A 78 -7.884 -3.884 -0.034 1.00 0.00 C ATOM 1253 CE1 HIS A 78 -7.709 -2.724 -1.885 1.00 0.00 C ATOM 1254 NE2 HIS A 78 -7.061 -3.543 -1.078 1.00 0.00 N ATOM 0 H HIS A 78 -13.097 -4.798 0.483 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.375 -5.350 0.146 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -11.014 -2.515 0.166 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -10.093 -2.928 1.598 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -7.637 -4.538 0.789 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -7.316 -2.289 -2.792 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -6.104 -3.870 -1.209 1.00 0.00 H new ATOM 1263 N THR A 79 -10.143 -5.080 2.848 1.00 0.00 N ATOM 1264 CA THR A 79 -10.213 -5.471 4.251 1.00 0.00 C ATOM 1265 C THR A 79 -10.730 -6.900 4.394 1.00 0.00 C ATOM 1266 O THR A 79 -11.164 -7.510 3.418 1.00 0.00 O ATOM 1267 CB THR A 79 -11.117 -4.510 5.028 1.00 0.00 C ATOM 1268 OG1 THR A 79 -11.289 -3.298 4.314 1.00 0.00 O ATOM 1269 CG2 THR A 79 -10.582 -4.162 6.400 1.00 0.00 C ATOM 0 H THR A 79 -9.205 -4.846 2.522 1.00 0.00 H new ATOM 0 HA THR A 79 -9.205 -5.425 4.664 1.00 0.00 H new ATOM 0 HB THR A 79 -12.064 -5.037 5.148 1.00 0.00 H new ATOM 0 HG1 THR A 79 -11.871 -2.697 4.825 1.00 0.00 H new ATOM 0 HG21 THR A 79 -11.270 -3.478 6.896 1.00 0.00 H new ATOM 0 HG22 THR A 79 -10.483 -5.071 6.993 1.00 0.00 H new ATOM 0 HG23 THR A 79 -9.607 -3.686 6.300 1.00 0.00 H new ATOM 1277 N THR A 80 -10.674 -7.424 5.619 1.00 0.00 N ATOM 1278 CA THR A 80 -11.129 -8.786 5.921 1.00 0.00 C ATOM 1279 C THR A 80 -10.072 -9.830 5.559 1.00 0.00 C ATOM 1280 O THR A 80 -10.081 -10.940 6.091 1.00 0.00 O ATOM 1281 CB THR A 80 -12.451 -9.111 5.208 1.00 0.00 C ATOM 1282 OG1 THR A 80 -12.216 -9.598 3.899 1.00 0.00 O ATOM 1283 CG2 THR A 80 -13.390 -7.927 5.099 1.00 0.00 C ATOM 0 H THR A 80 -10.313 -6.920 6.429 1.00 0.00 H new ATOM 0 HA THR A 80 -11.296 -8.826 6.997 1.00 0.00 H new ATOM 0 HB THR A 80 -12.926 -9.870 5.830 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.942 -8.857 3.319 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.301 -8.232 4.585 1.00 0.00 H new ATOM 0 HG22 THR A 80 -13.639 -7.567 6.097 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.905 -7.129 4.536 1.00 0.00 H new ATOM 1291 N LEU A 81 -9.160 -9.476 4.655 1.00 0.00 N ATOM 1292 CA LEU A 81 -8.105 -10.391 4.236 1.00 0.00 C ATOM 1293 C LEU A 81 -8.683 -11.651 3.595 1.00 0.00 C ATOM 1294 O LEU A 81 -7.997 -12.667 3.476 1.00 0.00 O ATOM 1295 CB LEU A 81 -7.230 -10.771 5.432 1.00 0.00 C ATOM 1296 CG LEU A 81 -6.491 -9.604 6.090 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -6.010 -9.993 7.479 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -5.323 -9.158 5.224 1.00 0.00 C ATOM 0 H LEU A 81 -9.132 -8.563 4.201 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.496 -9.879 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.856 -11.254 6.182 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.496 -11.509 5.106 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.184 -8.768 6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.487 -9.151 7.932 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.866 -10.264 8.098 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.332 -10.844 7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.808 -8.327 5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.629 -9.988 5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.693 -8.838 4.250 1.00 0.00 H new ATOM 1310 N LYS A 82 -9.945 -11.582 3.179 1.00 0.00 N ATOM 1311 CA LYS A 82 -10.601 -12.721 2.549 1.00 0.00 C ATOM 1312 C LYS A 82 -10.231 -12.808 1.073 1.00 0.00 C ATOM 1313 O LYS A 82 -9.784 -13.851 0.596 1.00 0.00 O ATOM 1314 CB LYS A 82 -12.119 -12.617 2.707 1.00 0.00 C ATOM 1315 CG LYS A 82 -12.791 -13.947 3.007 1.00 0.00 C ATOM 1316 CD LYS A 82 -14.200 -14.002 2.439 1.00 0.00 C ATOM 1317 CE LYS A 82 -14.834 -15.367 2.651 1.00 0.00 C ATOM 1318 NZ LYS A 82 -14.403 -16.347 1.617 1.00 0.00 N ATOM 0 H LYS A 82 -10.531 -10.752 3.267 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.258 -13.629 3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.345 -11.916 3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.544 -12.203 1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -12.197 -14.759 2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.826 -14.103 4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -14.815 -13.237 2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -14.173 -13.774 1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.567 -15.741 3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.919 -15.270 2.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.858 -17.265 1.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.680 -16.003 0.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.370 -16.459 1.654 1.00 0.00 H new ATOM 1332 N ILE A 83 -10.414 -11.705 0.354 1.00 0.00 N ATOM 1333 CA ILE A 83 -10.091 -11.661 -1.066 1.00 0.00 C ATOM 1334 C ILE A 83 -8.619 -11.977 -1.291 1.00 0.00 C ATOM 1335 O ILE A 83 -8.251 -12.605 -2.283 1.00 0.00 O ATOM 1336 CB ILE A 83 -10.412 -10.286 -1.678 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -9.771 -9.171 -0.849 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -11.918 -10.085 -1.771 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -9.830 -7.813 -1.512 1.00 0.00 C ATOM 0 H ILE A 83 -10.783 -10.832 0.731 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.707 -12.413 -1.558 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.997 -10.248 -2.685 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.271 -9.116 0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -8.729 -9.427 -0.656 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.128 -9.108 -2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -12.351 -10.863 -2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.355 -10.140 -0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.357 -7.072 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.305 -7.851 -2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -10.870 -7.535 -1.681 1.00 0.00 H new ATOM 1351 N LEU A 84 -7.780 -11.547 -0.354 1.00 0.00 N ATOM 1352 CA LEU A 84 -6.348 -11.794 -0.443 1.00 0.00 C ATOM 1353 C LEU A 84 -6.055 -13.271 -0.210 1.00 0.00 C ATOM 1354 O LEU A 84 -5.140 -13.837 -0.808 1.00 0.00 O ATOM 1355 CB LEU A 84 -5.592 -10.939 0.577 1.00 0.00 C ATOM 1356 CG LEU A 84 -5.062 -9.608 0.039 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -6.075 -8.499 0.273 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -3.731 -9.263 0.688 1.00 0.00 C ATOM 0 H LEU A 84 -8.068 -11.026 0.474 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.010 -11.520 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.253 -10.736 1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.753 -11.518 0.963 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.904 -9.708 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.682 -7.559 -0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -7.006 -8.743 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -6.264 -8.399 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.369 -8.314 0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.863 -9.181 1.767 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.006 -10.047 0.469 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.846 -13.892 0.661 1.00 0.00 N ATOM 1371 CA GLU A 85 -6.679 -15.305 0.970 1.00 0.00 C ATOM 1372 C GLU A 85 -7.156 -16.168 -0.194 1.00 0.00 C ATOM 1373 O GLU A 85 -6.644 -17.265 -0.417 1.00 0.00 O ATOM 1374 CB GLU A 85 -7.451 -15.668 2.240 1.00 0.00 C ATOM 1375 CG GLU A 85 -7.185 -17.081 2.731 1.00 0.00 C ATOM 1376 CD GLU A 85 -5.758 -17.273 3.207 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -4.871 -17.490 2.354 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -5.528 -17.207 4.433 1.00 0.00 O ATOM 0 H GLU A 85 -7.608 -13.437 1.164 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.619 -15.496 1.135 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.188 -14.963 3.029 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.518 -15.553 2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.871 -17.314 3.546 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -7.394 -17.787 1.927 1.00 0.00 H new ATOM 1385 N GLY A 86 -8.139 -15.663 -0.936 1.00 0.00 N ATOM 1386 CA GLY A 86 -8.665 -16.400 -2.070 1.00 0.00 C ATOM 1387 C GLY A 86 -7.991 -16.020 -3.373 1.00 0.00 C ATOM 1388 O GLY A 86 -7.940 -16.817 -4.309 1.00 0.00 O ATOM 0 H GLY A 86 -8.579 -14.758 -0.771 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.536 -17.468 -1.896 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.736 -16.217 -2.152 1.00 0.00 H new ATOM 1392 N HIS A 87 -7.469 -14.798 -3.433 1.00 0.00 N ATOM 1393 CA HIS A 87 -6.793 -14.315 -4.632 1.00 0.00 C ATOM 1394 C HIS A 87 -5.278 -14.382 -4.464 1.00 0.00 C ATOM 1395 O HIS A 87 -4.582 -15.008 -5.262 1.00 0.00 O ATOM 1396 CB HIS A 87 -7.221 -12.879 -4.942 1.00 0.00 C ATOM 1397 CG HIS A 87 -6.567 -12.310 -6.164 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -6.638 -12.910 -7.404 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -5.824 -11.191 -6.332 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -5.967 -12.185 -8.280 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -5.464 -11.137 -7.656 1.00 0.00 N ATOM 0 H HIS A 87 -7.501 -14.126 -2.667 1.00 0.00 H new ATOM 0 HA HIS A 87 -7.078 -14.958 -5.465 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -8.303 -12.851 -5.072 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -6.987 -12.246 -4.086 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.563 -10.474 -5.567 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.850 -12.411 -9.329 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -4.899 -10.405 -8.087 1.00 0.00 H new ATOM 1410 N LEU A 88 -4.776 -13.729 -3.421 1.00 0.00 N ATOM 1411 CA LEU A 88 -3.343 -13.714 -3.149 1.00 0.00 C ATOM 1412 C LEU A 88 -2.874 -15.065 -2.620 1.00 0.00 C ATOM 1413 O LEU A 88 -3.320 -15.456 -1.521 1.00 0.00 O ATOM 1414 CB LEU A 88 -3.008 -12.609 -2.143 1.00 0.00 C ATOM 1415 CG LEU A 88 -1.876 -11.672 -2.566 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -0.588 -12.452 -2.775 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -2.256 -10.917 -3.832 1.00 0.00 C ATOM 1418 OXT LEU A 88 -2.065 -15.721 -3.309 1.00 0.00 O ATOM 0 H LEU A 88 -5.339 -13.204 -2.751 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.821 -13.514 -4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.905 -12.015 -1.967 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -2.741 -13.072 -1.193 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.712 -10.947 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.206 -11.769 -3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.308 -12.948 -1.845 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.738 -13.200 -3.554 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.440 -10.255 -4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.447 -11.628 -4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -3.154 -10.327 -3.648 1.00 0.00 H new