USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 55 THR OG1 : rot 111:sc= 0.871 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.754 USER MOD Set 2.1: A 7 THR OG1 : rot -150:sc= 0.889 USER MOD Set 2.2: A 9 THR OG1 : rot -38:sc= 0.774 USER MOD Single : A 1 MET CE :methyl -165:sc= -0.11 (180deg=-0.751) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0895) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -80:sc= 0.803 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.394 USER MOD Single : A 25 ASN : amide:sc= -0.68 X(o=-0.68,f=-0.32) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 0.0668 (180deg=0.0231) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.229) USER MOD Single : A 31 GLN : amide:sc= -1.95! K(o=-1.9!,f=-0.28) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.0216 (180deg=-0.406) USER MOD Single : A 40 GLN : amide:sc= -0.0383 X(o=-0.038,f=-0.13) USER MOD Single : A 41 GLN : amide:sc= -8.61! C(o=-8.6!,f=-13!) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -0.0638 (180deg=-0.567) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.23) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= 0.746 K(o=0.75,f=-3.4!) USER MOD Single : A 62 GLN : amide:sc= -0.341 X(o=-0.34,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -165:sc=-0.00159 (180deg=-0.2) 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=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.608 32.263 2.204 1.00 0.00 N ATOM 2 CA MET A 1 31.914 32.911 3.353 1.00 0.00 C ATOM 3 C MET A 1 32.728 32.693 4.622 1.00 0.00 C ATOM 4 O MET A 1 32.930 31.559 5.054 1.00 0.00 O ATOM 5 CB MET A 1 30.518 32.302 3.515 1.00 0.00 C ATOM 6 CG MET A 1 29.895 32.758 4.839 1.00 0.00 C ATOM 7 SD MET A 1 28.130 32.353 4.849 1.00 0.00 S ATOM 8 CE MET A 1 27.933 32.159 6.640 1.00 0.00 C ATOM 0 H1 MET A 1 32.054 32.410 1.336 1.00 0.00 H new ATOM 0 H2 MET A 1 33.552 32.683 2.088 1.00 0.00 H new ATOM 0 H3 MET A 1 32.702 31.243 2.386 1.00 0.00 H new ATOM 0 HA MET A 1 31.817 33.981 3.169 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.882 32.603 2.682 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.582 31.214 3.490 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.395 32.270 5.675 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.033 33.832 4.967 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.991 31.652 6.850 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.759 31.568 7.035 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.930 33.140 7.114 1.00 0.00 H new ATOM 20 N GLN A 2 33.188 33.787 5.217 1.00 0.00 N ATOM 21 CA GLN A 2 33.982 33.724 6.444 1.00 0.00 C ATOM 22 C GLN A 2 33.279 34.472 7.574 1.00 0.00 C ATOM 23 O GLN A 2 32.404 35.304 7.333 1.00 0.00 O ATOM 24 CB GLN A 2 35.353 34.354 6.202 1.00 0.00 C ATOM 25 CG GLN A 2 36.043 33.659 5.026 1.00 0.00 C ATOM 26 CD GLN A 2 37.336 34.387 4.675 1.00 0.00 C ATOM 27 OE1 GLN A 2 38.328 34.275 5.396 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.385 35.131 3.604 1.00 0.00 N ATOM 0 H GLN A 2 33.026 34.733 4.871 1.00 0.00 H new ATOM 0 HA GLN A 2 34.099 32.678 6.728 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.243 35.418 5.993 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.967 34.267 7.099 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.258 32.621 5.282 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.379 33.643 4.162 1.00 0.00 H new ATOM 0 HE21 GLN A 2 36.562 35.222 3.008 1.00 0.00 H new ATOM 0 HE22 GLN A 2 38.246 35.621 3.363 1.00 0.00 H new ATOM 37 N ILE A 3 33.685 34.179 8.805 1.00 0.00 N ATOM 38 CA ILE A 3 33.111 34.841 9.977 1.00 0.00 C ATOM 39 C ILE A 3 34.093 34.796 11.134 1.00 0.00 C ATOM 40 O ILE A 3 35.119 34.122 11.067 1.00 0.00 O ATOM 41 CB ILE A 3 31.777 34.198 10.404 1.00 0.00 C ATOM 42 CG1 ILE A 3 31.925 32.662 10.468 1.00 0.00 C ATOM 43 CG2 ILE A 3 30.670 34.595 9.414 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.547 31.996 10.422 1.00 0.00 C ATOM 0 H ILE A 3 34.406 33.491 9.019 1.00 0.00 H new ATOM 0 HA ILE A 3 32.911 35.877 9.703 1.00 0.00 H new ATOM 0 HB ILE A 3 31.505 34.558 11.396 1.00 0.00 H new ATOM 0 HG12 ILE A 3 32.534 32.313 9.634 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.444 32.377 11.383 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.728 34.139 9.719 1.00 0.00 H new ATOM 0 HG22 ILE A 3 30.562 35.680 9.405 1.00 0.00 H new ATOM 0 HG23 ILE A 3 30.934 34.249 8.415 1.00 0.00 H new ATOM 0 HD11 ILE A 3 30.664 30.913 10.468 1.00 0.00 H new ATOM 0 HD12 ILE A 3 29.952 32.333 11.271 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.043 32.267 9.495 1.00 0.00 H new ATOM 56 N PHE A 4 33.767 35.523 12.197 1.00 0.00 N ATOM 57 CA PHE A 4 34.620 35.580 13.383 1.00 0.00 C ATOM 58 C PHE A 4 33.981 34.818 14.535 1.00 0.00 C ATOM 59 O PHE A 4 32.765 34.876 14.732 1.00 0.00 O ATOM 60 CB PHE A 4 34.821 37.035 13.801 1.00 0.00 C ATOM 61 CG PHE A 4 35.518 37.794 12.698 1.00 0.00 C ATOM 62 CD1 PHE A 4 34.770 38.351 11.652 1.00 0.00 C ATOM 63 CD2 PHE A 4 36.908 37.951 12.724 1.00 0.00 C ATOM 64 CE1 PHE A 4 35.414 39.065 10.635 1.00 0.00 C ATOM 65 CE2 PHE A 4 37.552 38.663 11.706 1.00 0.00 C ATOM 66 CZ PHE A 4 36.805 39.221 10.661 1.00 0.00 C ATOM 0 H PHE A 4 32.917 36.083 12.264 1.00 0.00 H new ATOM 0 HA PHE A 4 35.580 35.125 13.141 1.00 0.00 H new ATOM 0 HB2 PHE A 4 33.858 37.496 14.019 1.00 0.00 H new ATOM 0 HB3 PHE A 4 35.412 37.082 14.716 1.00 0.00 H new ATOM 0 HD1 PHE A 4 33.697 38.229 11.631 1.00 0.00 H new ATOM 0 HD2 PHE A 4 37.484 37.522 13.530 1.00 0.00 H new ATOM 0 HE1 PHE A 4 34.838 39.496 9.830 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.625 38.782 11.726 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.302 39.771 9.876 1.00 0.00 H new ATOM 76 N VAL A 5 34.808 34.105 15.301 1.00 0.00 N ATOM 77 CA VAL A 5 34.327 33.337 16.447 1.00 0.00 C ATOM 78 C VAL A 5 34.927 33.908 17.720 1.00 0.00 C ATOM 79 O VAL A 5 36.140 34.086 17.828 1.00 0.00 O ATOM 80 CB VAL A 5 34.710 31.859 16.289 1.00 0.00 C ATOM 81 CG1 VAL A 5 34.520 31.123 17.622 1.00 0.00 C ATOM 82 CG2 VAL A 5 33.799 31.222 15.236 1.00 0.00 C ATOM 0 H VAL A 5 35.815 34.044 15.147 1.00 0.00 H new ATOM 0 HA VAL A 5 33.241 33.405 16.502 1.00 0.00 H new ATOM 0 HB VAL A 5 35.754 31.787 15.983 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.794 30.075 17.501 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.154 31.578 18.383 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.477 31.192 17.930 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.062 30.171 15.115 1.00 0.00 H new ATOM 0 HG22 VAL A 5 32.760 31.302 15.557 1.00 0.00 H new ATOM 0 HG23 VAL A 5 33.925 31.739 14.285 1.00 0.00 H new ATOM 92 N LYS A 6 34.055 34.210 18.668 1.00 0.00 N ATOM 93 CA LYS A 6 34.468 34.791 19.942 1.00 0.00 C ATOM 94 C LYS A 6 34.260 33.796 21.078 1.00 0.00 C ATOM 95 O LYS A 6 33.186 33.208 21.207 1.00 0.00 O ATOM 96 CB LYS A 6 33.630 36.044 20.195 1.00 0.00 C ATOM 97 CG LYS A 6 34.270 36.890 21.291 1.00 0.00 C ATOM 98 CD LYS A 6 33.465 38.182 21.456 1.00 0.00 C ATOM 99 CE LYS A 6 34.149 39.094 22.475 1.00 0.00 C ATOM 100 NZ LYS A 6 33.995 38.518 23.840 1.00 0.00 N ATOM 0 H LYS A 6 33.049 34.062 18.581 1.00 0.00 H new ATOM 0 HA LYS A 6 35.527 35.044 19.900 1.00 0.00 H new ATOM 0 HB2 LYS A 6 33.546 36.626 19.277 1.00 0.00 H new ATOM 0 HB3 LYS A 6 32.618 35.762 20.487 1.00 0.00 H new ATOM 0 HG2 LYS A 6 34.291 36.337 22.230 1.00 0.00 H new ATOM 0 HG3 LYS A 6 35.304 37.121 21.034 1.00 0.00 H new ATOM 0 HD2 LYS A 6 33.380 38.693 20.497 1.00 0.00 H new ATOM 0 HD3 LYS A 6 32.452 37.950 21.785 1.00 0.00 H new ATOM 0 HE2 LYS A 6 35.206 39.201 22.231 1.00 0.00 H new ATOM 0 HE3 LYS A 6 33.711 40.091 22.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 34.307 39.213 24.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 32.996 38.280 24.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 34.574 37.658 23.921 1.00 0.00 H new ATOM 114 N THR A 7 35.289 33.613 21.910 1.00 0.00 N ATOM 115 CA THR A 7 35.199 32.687 23.044 1.00 0.00 C ATOM 116 C THR A 7 35.108 33.461 24.356 1.00 0.00 C ATOM 117 O THR A 7 35.102 34.692 24.368 1.00 0.00 O ATOM 118 CB THR A 7 36.427 31.771 23.081 1.00 0.00 C ATOM 119 OG1 THR A 7 37.539 32.489 23.596 1.00 0.00 O ATOM 120 CG2 THR A 7 36.744 31.276 21.669 1.00 0.00 C ATOM 0 H THR A 7 36.187 34.089 21.822 1.00 0.00 H new ATOM 0 HA THR A 7 34.301 32.082 22.920 1.00 0.00 H new ATOM 0 HB THR A 7 36.220 30.915 23.723 1.00 0.00 H new ATOM 0 HG1 THR A 7 38.366 32.136 23.206 1.00 0.00 H new ATOM 0 HG21 THR A 7 37.618 30.625 21.699 1.00 0.00 H new ATOM 0 HG22 THR A 7 35.891 30.721 21.278 1.00 0.00 H new ATOM 0 HG23 THR A 7 36.949 32.129 21.022 1.00 0.00 H new ATOM 128 N LEU A 8 35.051 32.737 25.466 1.00 0.00 N ATOM 129 CA LEU A 8 34.967 33.383 26.769 1.00 0.00 C ATOM 130 C LEU A 8 36.291 34.072 27.118 1.00 0.00 C ATOM 131 O LEU A 8 36.323 35.013 27.907 1.00 0.00 O ATOM 132 CB LEU A 8 34.612 32.341 27.854 1.00 0.00 C ATOM 133 CG LEU A 8 33.648 32.956 28.880 1.00 0.00 C ATOM 134 CD1 LEU A 8 33.292 31.917 29.945 1.00 0.00 C ATOM 135 CD2 LEU A 8 34.309 34.170 29.547 1.00 0.00 C ATOM 0 H LEU A 8 35.061 31.717 25.492 1.00 0.00 H new ATOM 0 HA LEU A 8 34.183 34.140 26.729 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.155 31.465 27.393 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.519 32.001 28.354 1.00 0.00 H new ATOM 0 HG LEU A 8 32.739 33.274 28.370 1.00 0.00 H new ATOM 0 HD11 LEU A 8 32.608 32.359 30.670 1.00 0.00 H new ATOM 0 HD12 LEU A 8 32.814 31.059 29.471 1.00 0.00 H new ATOM 0 HD13 LEU A 8 34.199 31.592 30.454 1.00 0.00 H new ATOM 0 HD21 LEU A 8 33.623 34.604 30.274 1.00 0.00 H new ATOM 0 HD22 LEU A 8 35.222 33.855 30.052 1.00 0.00 H new ATOM 0 HD23 LEU A 8 34.552 34.914 28.789 1.00 0.00 H new ATOM 147 N THR A 9 37.387 33.591 26.541 1.00 0.00 N ATOM 148 CA THR A 9 38.696 34.172 26.829 1.00 0.00 C ATOM 149 C THR A 9 38.922 35.443 26.016 1.00 0.00 C ATOM 150 O THR A 9 40.024 35.993 26.011 1.00 0.00 O ATOM 151 CB THR A 9 39.806 33.162 26.520 1.00 0.00 C ATOM 152 OG1 THR A 9 39.808 32.870 25.131 1.00 0.00 O ATOM 153 CG2 THR A 9 39.568 31.877 27.314 1.00 0.00 C ATOM 0 H THR A 9 37.398 32.813 25.881 1.00 0.00 H new ATOM 0 HA THR A 9 38.723 34.426 27.889 1.00 0.00 H new ATOM 0 HB THR A 9 40.769 33.586 26.803 1.00 0.00 H new ATOM 0 HG1 THR A 9 38.885 32.826 24.805 1.00 0.00 H new ATOM 0 HG21 THR A 9 40.359 31.161 27.092 1.00 0.00 H new ATOM 0 HG22 THR A 9 39.571 32.102 28.380 1.00 0.00 H new ATOM 0 HG23 THR A 9 38.604 31.451 27.036 1.00 0.00 H new ATOM 161 N GLY A 10 37.875 35.919 25.345 1.00 0.00 N ATOM 162 CA GLY A 10 37.986 37.136 24.552 1.00 0.00 C ATOM 163 C GLY A 10 38.877 36.919 23.337 1.00 0.00 C ATOM 164 O GLY A 10 39.452 37.865 22.798 1.00 0.00 O ATOM 0 H GLY A 10 36.952 35.485 25.335 1.00 0.00 H new ATOM 0 HA2 GLY A 10 36.995 37.454 24.228 1.00 0.00 H new ATOM 0 HA3 GLY A 10 38.393 37.939 25.167 1.00 0.00 H new ATOM 168 N LYS A 11 38.979 35.668 22.899 1.00 0.00 N ATOM 169 CA LYS A 11 39.789 35.338 21.733 1.00 0.00 C ATOM 170 C LYS A 11 38.936 35.425 20.476 1.00 0.00 C ATOM 171 O LYS A 11 37.831 34.883 20.434 1.00 0.00 O ATOM 172 CB LYS A 11 40.355 33.919 21.867 1.00 0.00 C ATOM 173 CG LYS A 11 41.426 33.677 20.784 1.00 0.00 C ATOM 174 CD LYS A 11 42.799 34.110 21.310 1.00 0.00 C ATOM 175 CE LYS A 11 43.863 33.865 20.242 1.00 0.00 C ATOM 176 NZ LYS A 11 45.204 34.217 20.789 1.00 0.00 N ATOM 0 H LYS A 11 38.513 34.870 23.332 1.00 0.00 H new ATOM 0 HA LYS A 11 40.614 36.047 21.665 1.00 0.00 H new ATOM 0 HB2 LYS A 11 40.790 33.783 22.857 1.00 0.00 H new ATOM 0 HB3 LYS A 11 39.553 33.187 21.768 1.00 0.00 H new ATOM 0 HG2 LYS A 11 41.447 32.622 20.509 1.00 0.00 H new ATOM 0 HG3 LYS A 11 41.178 34.237 19.882 1.00 0.00 H new ATOM 0 HD2 LYS A 11 42.779 35.166 21.581 1.00 0.00 H new ATOM 0 HD3 LYS A 11 43.044 33.554 22.215 1.00 0.00 H new ATOM 0 HE2 LYS A 11 43.848 32.820 19.931 1.00 0.00 H new ATOM 0 HE3 LYS A 11 43.650 34.464 19.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 45.930 34.051 20.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 45.214 35.220 21.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 45.405 33.627 21.621 1.00 0.00 H new ATOM 190 N THR A 12 39.458 36.091 19.446 1.00 0.00 N ATOM 191 CA THR A 12 38.741 36.229 18.178 1.00 0.00 C ATOM 192 C THR A 12 39.511 35.521 17.077 1.00 0.00 C ATOM 193 O THR A 12 40.686 35.802 16.841 1.00 0.00 O ATOM 194 CB THR A 12 38.575 37.704 17.812 1.00 0.00 C ATOM 195 OG1 THR A 12 37.818 38.357 18.823 1.00 0.00 O ATOM 196 CG2 THR A 12 37.842 37.815 16.469 1.00 0.00 C ATOM 0 H THR A 12 40.372 36.542 19.464 1.00 0.00 H new ATOM 0 HA THR A 12 37.754 35.780 18.287 1.00 0.00 H new ATOM 0 HB THR A 12 39.555 38.175 17.731 1.00 0.00 H new ATOM 0 HG1 THR A 12 37.711 39.303 18.592 1.00 0.00 H new ATOM 0 HG21 THR A 12 37.722 38.866 16.206 1.00 0.00 H new ATOM 0 HG22 THR A 12 38.421 37.311 15.696 1.00 0.00 H new ATOM 0 HG23 THR A 12 36.861 37.347 16.550 1.00 0.00 H new ATOM 204 N ILE A 13 38.836 34.601 16.407 1.00 0.00 N ATOM 205 CA ILE A 13 39.451 33.843 15.321 1.00 0.00 C ATOM 206 C ILE A 13 38.514 33.775 14.130 1.00 0.00 C ATOM 207 O ILE A 13 37.300 33.657 14.288 1.00 0.00 O ATOM 208 CB ILE A 13 39.796 32.430 15.796 1.00 0.00 C ATOM 209 CG1 ILE A 13 40.605 31.715 14.712 1.00 0.00 C ATOM 210 CG2 ILE A 13 38.512 31.650 16.074 1.00 0.00 C ATOM 211 CD1 ILE A 13 41.131 30.387 15.260 1.00 0.00 C ATOM 0 H ILE A 13 37.863 34.359 16.593 1.00 0.00 H new ATOM 0 HA ILE A 13 40.368 34.349 15.018 1.00 0.00 H new ATOM 0 HB ILE A 13 40.384 32.490 16.712 1.00 0.00 H new ATOM 0 HG12 ILE A 13 39.982 31.538 13.836 1.00 0.00 H new ATOM 0 HG13 ILE A 13 41.436 32.343 14.390 1.00 0.00 H new ATOM 0 HG21 ILE A 13 38.763 30.645 16.412 1.00 0.00 H new ATOM 0 HG22 ILE A 13 37.937 32.160 16.847 1.00 0.00 H new ATOM 0 HG23 ILE A 13 37.919 31.589 15.162 1.00 0.00 H new ATOM 0 HD11 ILE A 13 41.707 29.877 14.488 1.00 0.00 H new ATOM 0 HD12 ILE A 13 41.769 30.577 16.123 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.292 29.759 15.560 1.00 0.00 H new ATOM 223 N THR A 14 39.087 33.842 12.936 1.00 0.00 N ATOM 224 CA THR A 14 38.291 33.779 11.716 1.00 0.00 C ATOM 225 C THR A 14 38.250 32.352 11.182 1.00 0.00 C ATOM 226 O THR A 14 39.262 31.648 11.163 1.00 0.00 O ATOM 227 CB THR A 14 38.871 34.718 10.659 1.00 0.00 C ATOM 228 OG1 THR A 14 39.160 35.973 11.261 1.00 0.00 O ATOM 229 CG2 THR A 14 37.843 34.916 9.538 1.00 0.00 C ATOM 0 H THR A 14 40.091 33.939 12.785 1.00 0.00 H new ATOM 0 HA THR A 14 37.274 34.094 11.948 1.00 0.00 H new ATOM 0 HB THR A 14 39.784 34.290 10.245 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.336 36.498 11.335 1.00 0.00 H new ATOM 0 HG21 THR A 14 38.253 35.585 8.782 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.611 33.953 9.083 1.00 0.00 H new ATOM 0 HG23 THR A 14 36.933 35.350 9.952 1.00 0.00 H new ATOM 237 N LEU A 15 37.061 31.935 10.759 1.00 0.00 N ATOM 238 CA LEU A 15 36.842 30.588 10.230 1.00 0.00 C ATOM 239 C LEU A 15 36.299 30.668 8.802 1.00 0.00 C ATOM 240 O LEU A 15 35.514 31.562 8.476 1.00 0.00 O ATOM 241 CB LEU A 15 35.821 29.859 11.146 1.00 0.00 C ATOM 242 CG LEU A 15 36.449 28.637 11.833 1.00 0.00 C ATOM 243 CD1 LEU A 15 37.441 29.092 12.910 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.335 27.810 12.482 1.00 0.00 C ATOM 0 H LEU A 15 36.223 32.517 10.772 1.00 0.00 H new ATOM 0 HA LEU A 15 37.783 30.039 10.211 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.450 30.551 11.902 1.00 0.00 H new ATOM 0 HB3 LEU A 15 34.962 29.543 10.555 1.00 0.00 H new ATOM 0 HG LEU A 15 36.981 28.037 11.095 1.00 0.00 H new ATOM 0 HD11 LEU A 15 37.881 28.219 13.392 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.229 29.689 12.450 1.00 0.00 H new ATOM 0 HD13 LEU A 15 36.919 29.693 13.655 1.00 0.00 H new ATOM 0 HD21 LEU A 15 35.768 26.939 12.974 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.811 28.419 13.219 1.00 0.00 H new ATOM 0 HD23 LEU A 15 34.632 27.482 11.716 1.00 0.00 H new ATOM 256 N GLU A 16 36.698 29.707 7.970 1.00 0.00 N ATOM 257 CA GLU A 16 36.222 29.645 6.586 1.00 0.00 C ATOM 258 C GLU A 16 35.158 28.561 6.480 1.00 0.00 C ATOM 259 O GLU A 16 35.425 27.392 6.750 1.00 0.00 O ATOM 260 CB GLU A 16 37.378 29.336 5.621 1.00 0.00 C ATOM 261 CG GLU A 16 38.309 28.293 6.242 1.00 0.00 C ATOM 262 CD GLU A 16 39.410 27.925 5.253 1.00 0.00 C ATOM 263 OE1 GLU A 16 39.302 28.317 4.102 1.00 0.00 O ATOM 264 OE2 GLU A 16 40.344 27.255 5.660 1.00 0.00 O ATOM 0 H GLU A 16 37.347 28.963 8.227 1.00 0.00 H new ATOM 0 HA GLU A 16 35.802 30.612 6.311 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.984 28.967 4.674 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.934 30.248 5.401 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.748 28.685 7.159 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.742 27.403 6.515 1.00 0.00 H new ATOM 271 N VAL A 17 33.946 28.954 6.097 1.00 0.00 N ATOM 272 CA VAL A 17 32.853 27.988 5.981 1.00 0.00 C ATOM 273 C VAL A 17 31.921 28.338 4.826 1.00 0.00 C ATOM 274 O VAL A 17 31.933 29.457 4.313 1.00 0.00 O ATOM 275 CB VAL A 17 32.064 27.914 7.306 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.016 28.125 8.487 1.00 0.00 C ATOM 277 CG2 VAL A 17 30.978 28.992 7.351 1.00 0.00 C ATOM 0 H VAL A 17 33.697 29.915 5.865 1.00 0.00 H new ATOM 0 HA VAL A 17 33.289 27.011 5.772 1.00 0.00 H new ATOM 0 HB VAL A 17 31.597 26.931 7.370 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.455 28.072 9.420 1.00 0.00 H new ATOM 0 HG12 VAL A 17 33.782 27.350 8.480 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.489 29.103 8.403 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.434 28.922 8.293 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.439 29.976 7.271 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.286 28.847 6.521 1.00 0.00 H new ATOM 287 N GLU A 18 31.094 27.366 4.443 1.00 0.00 N ATOM 288 CA GLU A 18 30.123 27.551 3.372 1.00 0.00 C ATOM 289 C GLU A 18 28.747 27.787 3.993 1.00 0.00 C ATOM 290 O GLU A 18 28.468 27.294 5.086 1.00 0.00 O ATOM 291 CB GLU A 18 30.089 26.300 2.487 1.00 0.00 C ATOM 292 CG GLU A 18 31.358 26.240 1.635 1.00 0.00 C ATOM 293 CD GLU A 18 31.384 24.943 0.833 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.279 23.892 1.443 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.508 25.021 -0.378 1.00 0.00 O ATOM 0 H GLU A 18 31.080 26.437 4.864 1.00 0.00 H new ATOM 0 HA GLU A 18 30.402 28.408 2.759 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.012 25.406 3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.208 26.320 1.845 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.394 27.096 0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.239 26.300 2.274 1.00 0.00 H new ATOM 302 N PRO A 19 27.887 28.526 3.344 1.00 0.00 N ATOM 303 CA PRO A 19 26.529 28.821 3.888 1.00 0.00 C ATOM 304 C PRO A 19 25.697 27.552 4.039 1.00 0.00 C ATOM 305 O PRO A 19 24.662 27.552 4.708 1.00 0.00 O ATOM 306 CB PRO A 19 25.917 29.778 2.848 1.00 0.00 C ATOM 307 CG PRO A 19 26.669 29.499 1.588 1.00 0.00 C ATOM 308 CD PRO A 19 28.088 29.152 2.026 1.00 0.00 C ATOM 0 HA PRO A 19 26.564 29.255 4.887 1.00 0.00 H new ATOM 0 HB2 PRO A 19 24.850 29.595 2.721 1.00 0.00 H new ATOM 0 HB3 PRO A 19 26.028 30.818 3.153 1.00 0.00 H new ATOM 0 HG2 PRO A 19 26.217 28.675 1.036 1.00 0.00 H new ATOM 0 HG3 PRO A 19 26.663 30.366 0.928 1.00 0.00 H new ATOM 0 HD2 PRO A 19 28.571 28.471 1.326 1.00 0.00 H new ATOM 0 HD3 PRO A 19 28.718 30.039 2.093 1.00 0.00 H new ATOM 316 N SER A 20 26.146 26.472 3.396 1.00 0.00 N ATOM 317 CA SER A 20 25.431 25.198 3.440 1.00 0.00 C ATOM 318 C SER A 20 26.111 24.206 4.380 1.00 0.00 C ATOM 319 O SER A 20 25.742 23.032 4.419 1.00 0.00 O ATOM 320 CB SER A 20 25.375 24.606 2.031 1.00 0.00 C ATOM 321 OG SER A 20 26.699 24.399 1.556 1.00 0.00 O ATOM 0 H SER A 20 27.001 26.456 2.840 1.00 0.00 H new ATOM 0 HA SER A 20 24.425 25.383 3.816 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.828 23.663 2.042 1.00 0.00 H new ATOM 0 HB3 SER A 20 24.837 25.278 1.363 1.00 0.00 H new ATOM 0 HG SER A 20 26.667 24.018 0.654 1.00 0.00 H new ATOM 327 N ASP A 21 27.101 24.671 5.137 1.00 0.00 N ATOM 328 CA ASP A 21 27.802 23.802 6.069 1.00 0.00 C ATOM 329 C ASP A 21 26.872 23.397 7.206 1.00 0.00 C ATOM 330 O ASP A 21 25.985 24.158 7.595 1.00 0.00 O ATOM 331 CB ASP A 21 29.033 24.537 6.623 1.00 0.00 C ATOM 332 CG ASP A 21 30.200 24.456 5.639 1.00 0.00 C ATOM 333 OD1 ASP A 21 30.101 23.701 4.685 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.182 25.146 5.862 1.00 0.00 O ATOM 0 H ASP A 21 27.431 25.636 5.122 1.00 0.00 H new ATOM 0 HA ASP A 21 28.127 22.900 5.550 1.00 0.00 H new ATOM 0 HB2 ASP A 21 28.784 25.581 6.814 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.325 24.099 7.578 1.00 0.00 H new ATOM 339 N THR A 22 27.079 22.194 7.738 1.00 0.00 N ATOM 340 CA THR A 22 26.252 21.700 8.835 1.00 0.00 C ATOM 341 C THR A 22 26.880 22.079 10.166 1.00 0.00 C ATOM 342 O THR A 22 28.093 22.251 10.256 1.00 0.00 O ATOM 343 CB THR A 22 26.113 20.178 8.754 1.00 0.00 C ATOM 344 OG1 THR A 22 27.389 19.578 8.932 1.00 0.00 O ATOM 345 CG2 THR A 22 25.544 19.782 7.390 1.00 0.00 C ATOM 0 H THR A 22 27.806 21.549 7.430 1.00 0.00 H new ATOM 0 HA THR A 22 25.263 22.152 8.756 1.00 0.00 H new ATOM 0 HB THR A 22 25.436 19.834 9.536 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.302 18.603 8.882 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.447 18.698 7.337 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.564 20.241 7.257 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.215 20.125 6.602 1.00 0.00 H new ATOM 353 N ILE A 23 26.055 22.207 11.193 1.00 0.00 N ATOM 354 CA ILE A 23 26.566 22.567 12.507 1.00 0.00 C ATOM 355 C ILE A 23 27.657 21.589 12.922 1.00 0.00 C ATOM 356 O ILE A 23 28.498 21.896 13.762 1.00 0.00 O ATOM 357 CB ILE A 23 25.434 22.553 13.536 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.206 23.282 12.974 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.896 23.248 14.818 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.614 24.646 12.403 1.00 0.00 C ATOM 0 H ILE A 23 25.045 22.070 11.146 1.00 0.00 H new ATOM 0 HA ILE A 23 26.985 23.572 12.460 1.00 0.00 H new ATOM 0 HB ILE A 23 25.168 21.519 13.757 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.741 22.678 12.195 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.463 23.416 13.760 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.088 23.237 15.549 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.761 22.724 15.225 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.169 24.279 14.595 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.734 25.153 12.008 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.058 25.253 13.192 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.340 24.503 11.603 1.00 0.00 H new ATOM 372 N GLU A 24 27.648 20.416 12.304 1.00 0.00 N ATOM 373 CA GLU A 24 28.652 19.402 12.599 1.00 0.00 C ATOM 374 C GLU A 24 29.974 19.761 11.922 1.00 0.00 C ATOM 375 O GLU A 24 31.004 19.901 12.580 1.00 0.00 O ATOM 376 CB GLU A 24 28.164 18.035 12.113 1.00 0.00 C ATOM 377 CG GLU A 24 29.215 16.972 12.435 1.00 0.00 C ATOM 378 CD GLU A 24 28.634 15.579 12.214 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.476 15.493 11.840 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.356 14.618 12.422 1.00 0.00 O ATOM 0 H GLU A 24 26.962 20.144 11.600 1.00 0.00 H new ATOM 0 HA GLU A 24 28.812 19.360 13.676 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.218 17.783 12.593 1.00 0.00 H new ATOM 0 HB3 GLU A 24 27.979 18.064 11.039 1.00 0.00 H new ATOM 0 HG2 GLU A 24 30.092 17.113 11.804 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.546 17.077 13.468 1.00 0.00 H new ATOM 387 N ASN A 25 29.931 19.912 10.604 1.00 0.00 N ATOM 388 CA ASN A 25 31.124 20.260 9.842 1.00 0.00 C ATOM 389 C ASN A 25 31.774 21.519 10.410 1.00 0.00 C ATOM 390 O ASN A 25 32.994 21.598 10.535 1.00 0.00 O ATOM 391 CB ASN A 25 30.744 20.495 8.379 1.00 0.00 C ATOM 392 CG ASN A 25 31.992 20.742 7.540 1.00 0.00 C ATOM 393 OD1 ASN A 25 32.969 20.001 7.644 1.00 0.00 O ATOM 394 ND2 ASN A 25 32.016 21.747 6.708 1.00 0.00 N ATOM 0 H ASN A 25 29.087 19.800 10.042 1.00 0.00 H new ATOM 0 HA ASN A 25 31.836 19.438 9.910 1.00 0.00 H new ATOM 0 HB2 ASN A 25 30.204 19.630 7.993 1.00 0.00 H new ATOM 0 HB3 ASN A 25 30.072 21.350 8.304 1.00 0.00 H new ATOM 0 HD21 ASN A 25 32.846 21.920 6.141 1.00 0.00 H new ATOM 0 HD22 ASN A 25 31.204 22.359 6.624 1.00 0.00 H new ATOM 401 N VAL A 26 30.953 22.506 10.751 1.00 0.00 N ATOM 402 CA VAL A 26 31.475 23.753 11.299 1.00 0.00 C ATOM 403 C VAL A 26 32.156 23.505 12.643 1.00 0.00 C ATOM 404 O VAL A 26 33.228 24.045 12.914 1.00 0.00 O ATOM 405 CB VAL A 26 30.348 24.781 11.458 1.00 0.00 C ATOM 406 CG1 VAL A 26 30.917 26.071 12.044 1.00 0.00 C ATOM 407 CG2 VAL A 26 29.729 25.081 10.086 1.00 0.00 C ATOM 0 H VAL A 26 29.938 22.469 10.660 1.00 0.00 H new ATOM 0 HA VAL A 26 32.215 24.150 10.604 1.00 0.00 H new ATOM 0 HB VAL A 26 29.584 24.380 12.124 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.117 26.803 12.158 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.360 25.864 13.018 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.680 26.469 11.375 1.00 0.00 H new ATOM 0 HG21 VAL A 26 28.928 25.812 10.200 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.494 25.482 9.421 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.324 24.163 9.661 1.00 0.00 H new ATOM 417 N LYS A 27 31.538 22.677 13.477 1.00 0.00 N ATOM 418 CA LYS A 27 32.114 22.365 14.777 1.00 0.00 C ATOM 419 C LYS A 27 33.457 21.689 14.572 1.00 0.00 C ATOM 420 O LYS A 27 34.408 21.915 15.318 1.00 0.00 O ATOM 421 CB LYS A 27 31.173 21.448 15.573 1.00 0.00 C ATOM 422 CG LYS A 27 30.071 22.283 16.233 1.00 0.00 C ATOM 423 CD LYS A 27 28.987 21.358 16.795 1.00 0.00 C ATOM 424 CE LYS A 27 28.091 22.143 17.756 1.00 0.00 C ATOM 425 NZ LYS A 27 26.857 21.356 18.041 1.00 0.00 N ATOM 0 H LYS A 27 30.650 22.216 13.279 1.00 0.00 H new ATOM 0 HA LYS A 27 32.251 23.286 15.344 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.731 20.703 14.912 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.736 20.906 16.333 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.493 22.892 17.032 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.636 22.968 15.506 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.391 20.944 15.982 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.446 20.517 17.315 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.626 22.348 18.683 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.828 23.107 17.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.104 21.996 18.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 26.548 20.869 17.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.057 20.653 18.781 1.00 0.00 H new ATOM 439 N ALA A 28 33.517 20.859 13.544 1.00 0.00 N ATOM 440 CA ALA A 28 34.734 20.145 13.213 1.00 0.00 C ATOM 441 C ALA A 28 35.852 21.133 12.886 1.00 0.00 C ATOM 442 O ALA A 28 36.998 20.945 13.294 1.00 0.00 O ATOM 443 CB ALA A 28 34.458 19.232 12.017 1.00 0.00 C ATOM 0 H ALA A 28 32.732 20.664 12.923 1.00 0.00 H new ATOM 0 HA ALA A 28 35.053 19.543 14.064 1.00 0.00 H new ATOM 0 HB1 ALA A 28 35.366 18.688 11.757 1.00 0.00 H new ATOM 0 HB2 ALA A 28 33.672 18.523 12.275 1.00 0.00 H new ATOM 0 HB3 ALA A 28 34.139 19.834 11.166 1.00 0.00 H new ATOM 449 N LYS A 29 35.501 22.193 12.161 1.00 0.00 N ATOM 450 CA LYS A 29 36.481 23.215 11.800 1.00 0.00 C ATOM 451 C LYS A 29 37.039 23.859 13.068 1.00 0.00 C ATOM 452 O LYS A 29 38.236 24.143 13.169 1.00 0.00 O ATOM 453 CB LYS A 29 35.832 24.304 10.930 1.00 0.00 C ATOM 454 CG LYS A 29 35.426 23.728 9.570 1.00 0.00 C ATOM 455 CD LYS A 29 34.747 24.820 8.733 1.00 0.00 C ATOM 456 CE LYS A 29 34.356 24.249 7.369 1.00 0.00 C ATOM 457 NZ LYS A 29 35.584 24.029 6.554 1.00 0.00 N ATOM 0 H LYS A 29 34.557 22.366 11.815 1.00 0.00 H new ATOM 0 HA LYS A 29 37.284 22.740 11.236 1.00 0.00 H new ATOM 0 HB2 LYS A 29 34.956 24.709 11.437 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.529 25.130 10.789 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.304 23.348 9.048 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.748 22.886 9.708 1.00 0.00 H new ATOM 0 HD2 LYS A 29 33.863 25.192 9.250 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.421 25.667 8.605 1.00 0.00 H new ATOM 0 HE2 LYS A 29 33.818 23.310 7.496 1.00 0.00 H new ATOM 0 HE3 LYS A 29 33.683 24.935 6.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 35.319 23.888 5.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.206 24.859 6.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.085 23.187 6.902 1.00 0.00 H new ATOM 471 N ILE A 30 36.156 24.066 14.037 1.00 0.00 N ATOM 472 CA ILE A 30 36.545 24.663 15.298 1.00 0.00 C ATOM 473 C ILE A 30 37.436 23.709 16.084 1.00 0.00 C ATOM 474 O ILE A 30 38.455 24.115 16.627 1.00 0.00 O ATOM 475 CB ILE A 30 35.291 25.009 16.102 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.482 26.066 15.337 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.690 25.565 17.469 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.144 26.316 16.041 1.00 0.00 C ATOM 0 H ILE A 30 35.167 23.828 13.969 1.00 0.00 H new ATOM 0 HA ILE A 30 37.111 25.575 15.106 1.00 0.00 H new ATOM 0 HB ILE A 30 34.689 24.111 16.243 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.049 26.995 15.276 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.307 25.731 14.314 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.793 25.810 18.038 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.270 24.818 18.010 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.291 26.464 17.335 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.578 27.067 15.490 1.00 0.00 H new ATOM 0 HD12 ILE A 30 32.574 25.388 16.079 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.327 26.671 17.055 1.00 0.00 H new ATOM 490 N GLN A 31 37.046 22.442 16.140 1.00 0.00 N ATOM 491 CA GLN A 31 37.829 21.447 16.867 1.00 0.00 C ATOM 492 C GLN A 31 39.233 21.338 16.282 1.00 0.00 C ATOM 493 O GLN A 31 40.221 21.286 17.013 1.00 0.00 O ATOM 494 CB GLN A 31 37.145 20.078 16.791 1.00 0.00 C ATOM 495 CG GLN A 31 37.801 19.125 17.795 1.00 0.00 C ATOM 496 CD GLN A 31 37.370 17.689 17.516 1.00 0.00 C ATOM 497 OE1 GLN A 31 37.780 16.769 18.224 1.00 0.00 O ATOM 498 NE2 GLN A 31 36.564 17.440 16.521 1.00 0.00 N ATOM 0 H GLN A 31 36.202 22.080 15.696 1.00 0.00 H new ATOM 0 HA GLN A 31 37.898 21.764 17.908 1.00 0.00 H new ATOM 0 HB2 GLN A 31 36.082 20.178 17.009 1.00 0.00 H new ATOM 0 HB3 GLN A 31 37.227 19.674 15.782 1.00 0.00 H new ATOM 0 HG2 GLN A 31 38.886 19.206 17.729 1.00 0.00 H new ATOM 0 HG3 GLN A 31 37.521 19.406 18.810 1.00 0.00 H new ATOM 0 HE21 GLN A 31 36.225 18.204 15.936 1.00 0.00 H new ATOM 0 HE22 GLN A 31 36.272 16.482 16.328 1.00 0.00 H new ATOM 507 N ASP A 32 39.310 21.278 14.961 1.00 0.00 N ATOM 508 CA ASP A 32 40.594 21.146 14.285 1.00 0.00 C ATOM 509 C ASP A 32 41.555 22.269 14.674 1.00 0.00 C ATOM 510 O ASP A 32 42.750 22.030 14.852 1.00 0.00 O ATOM 511 CB ASP A 32 40.384 21.151 12.769 1.00 0.00 C ATOM 512 CG ASP A 32 39.724 19.848 12.329 1.00 0.00 C ATOM 513 OD1 ASP A 32 39.988 18.832 12.953 1.00 0.00 O ATOM 514 OD2 ASP A 32 38.964 19.884 11.376 1.00 0.00 O ATOM 0 H ASP A 32 38.504 21.318 14.338 1.00 0.00 H new ATOM 0 HA ASP A 32 41.039 20.200 14.595 1.00 0.00 H new ATOM 0 HB2 ASP A 32 39.761 21.998 12.483 1.00 0.00 H new ATOM 0 HB3 ASP A 32 41.341 21.273 12.261 1.00 0.00 H new ATOM 519 N LYS A 33 41.045 23.497 14.781 1.00 0.00 N ATOM 520 CA LYS A 33 41.903 24.639 15.123 1.00 0.00 C ATOM 521 C LYS A 33 42.018 24.870 16.638 1.00 0.00 C ATOM 522 O LYS A 33 43.079 25.265 17.122 1.00 0.00 O ATOM 523 CB LYS A 33 41.363 25.908 14.461 1.00 0.00 C ATOM 524 CG LYS A 33 41.390 25.741 12.939 1.00 0.00 C ATOM 525 CD LYS A 33 41.134 27.095 12.272 1.00 0.00 C ATOM 526 CE LYS A 33 41.124 26.926 10.750 1.00 0.00 C ATOM 527 NZ LYS A 33 42.477 26.506 10.287 1.00 0.00 N ATOM 0 H LYS A 33 40.061 23.727 14.639 1.00 0.00 H new ATOM 0 HA LYS A 33 42.901 24.405 14.752 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.345 26.102 14.798 1.00 0.00 H new ATOM 0 HB3 LYS A 33 41.965 26.768 14.754 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.355 25.345 12.623 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.633 25.021 12.628 1.00 0.00 H new ATOM 0 HD2 LYS A 33 40.181 27.503 12.609 1.00 0.00 H new ATOM 0 HD3 LYS A 33 41.906 27.807 12.564 1.00 0.00 H new ATOM 0 HE2 LYS A 33 40.382 26.182 10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 33 40.839 27.863 10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 42.565 26.683 9.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.203 27.050 10.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 42.609 25.492 10.475 1.00 0.00 H new ATOM 541 N GLU A 34 40.931 24.660 17.385 1.00 0.00 N ATOM 542 CA GLU A 34 40.948 24.896 18.838 1.00 0.00 C ATOM 543 C GLU A 34 41.168 23.608 19.636 1.00 0.00 C ATOM 544 O GLU A 34 41.447 23.658 20.834 1.00 0.00 O ATOM 545 CB GLU A 34 39.631 25.543 19.275 1.00 0.00 C ATOM 546 CG GLU A 34 39.272 26.681 18.317 1.00 0.00 C ATOM 547 CD GLU A 34 40.400 27.706 18.273 1.00 0.00 C ATOM 548 OE1 GLU A 34 40.949 28.001 19.323 1.00 0.00 O ATOM 549 OE2 GLU A 34 40.698 28.182 17.190 1.00 0.00 O ATOM 0 H GLU A 34 40.038 24.332 17.018 1.00 0.00 H new ATOM 0 HA GLU A 34 41.786 25.562 19.045 1.00 0.00 H new ATOM 0 HB2 GLU A 34 38.835 24.799 19.285 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.722 25.926 20.291 1.00 0.00 H new ATOM 0 HG2 GLU A 34 39.093 26.283 17.318 1.00 0.00 H new ATOM 0 HG3 GLU A 34 38.348 27.160 18.640 1.00 0.00 H new ATOM 556 N GLY A 35 41.084 22.460 18.972 1.00 0.00 N ATOM 557 CA GLY A 35 41.318 21.181 19.641 1.00 0.00 C ATOM 558 C GLY A 35 40.273 20.876 20.717 1.00 0.00 C ATOM 559 O GLY A 35 40.431 19.924 21.479 1.00 0.00 O ATOM 0 H GLY A 35 40.858 22.386 17.980 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.314 20.382 18.900 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.309 21.189 20.095 1.00 0.00 H new ATOM 563 N ILE A 36 39.212 21.677 20.779 1.00 0.00 N ATOM 564 CA ILE A 36 38.159 21.465 21.769 1.00 0.00 C ATOM 565 C ILE A 36 37.091 20.502 21.226 1.00 0.00 C ATOM 566 O ILE A 36 36.379 20.849 20.284 1.00 0.00 O ATOM 567 CB ILE A 36 37.509 22.810 22.098 1.00 0.00 C ATOM 568 CG1 ILE A 36 38.598 23.851 22.380 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.626 22.658 23.331 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.579 23.320 23.432 1.00 0.00 C ATOM 0 H ILE A 36 39.059 22.473 20.160 1.00 0.00 H new ATOM 0 HA ILE A 36 38.597 21.028 22.666 1.00 0.00 H new ATOM 0 HB ILE A 36 36.904 23.136 21.252 1.00 0.00 H new ATOM 0 HG12 ILE A 36 39.133 24.087 21.460 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.143 24.777 22.731 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.162 23.616 23.567 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.850 21.918 23.134 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.233 22.331 24.175 1.00 0.00 H new ATOM 0 HD11 ILE A 36 40.348 24.069 23.623 1.00 0.00 H new ATOM 0 HD12 ILE A 36 39.042 23.107 24.356 1.00 0.00 H new ATOM 0 HD13 ILE A 36 40.046 22.406 23.065 1.00 0.00 H new ATOM 582 N PRO A 37 36.953 19.310 21.780 1.00 0.00 N ATOM 583 CA PRO A 37 35.932 18.328 21.298 1.00 0.00 C ATOM 584 C PRO A 37 34.555 18.980 21.088 1.00 0.00 C ATOM 585 O PRO A 37 34.201 19.931 21.789 1.00 0.00 O ATOM 586 CB PRO A 37 35.884 17.281 22.418 1.00 0.00 C ATOM 587 CG PRO A 37 37.247 17.311 23.029 1.00 0.00 C ATOM 588 CD PRO A 37 37.739 18.756 22.905 1.00 0.00 C ATOM 0 HA PRO A 37 36.191 17.906 20.327 1.00 0.00 H new ATOM 0 HB2 PRO A 37 35.116 17.523 23.153 1.00 0.00 H new ATOM 0 HB3 PRO A 37 35.649 16.292 22.025 1.00 0.00 H new ATOM 0 HG2 PRO A 37 37.213 17.000 24.073 1.00 0.00 H new ATOM 0 HG3 PRO A 37 37.920 16.625 22.514 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.568 19.316 23.825 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.809 18.797 22.702 1.00 0.00 H new ATOM 596 N PRO A 38 33.776 18.495 20.148 1.00 0.00 N ATOM 597 CA PRO A 38 32.422 19.058 19.856 1.00 0.00 C ATOM 598 C PRO A 38 31.415 18.740 20.959 1.00 0.00 C ATOM 599 O PRO A 38 30.374 19.387 21.065 1.00 0.00 O ATOM 600 CB PRO A 38 32.037 18.385 18.534 1.00 0.00 C ATOM 601 CG PRO A 38 32.752 17.081 18.569 1.00 0.00 C ATOM 602 CD PRO A 38 34.084 17.357 19.263 1.00 0.00 C ATOM 0 HA PRO A 38 32.427 20.146 19.798 1.00 0.00 H new ATOM 0 HB2 PRO A 38 30.959 18.246 18.457 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.344 18.985 17.677 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.175 16.333 19.113 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.908 16.693 17.562 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.431 16.491 19.827 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.867 17.605 18.547 1.00 0.00 H new ATOM 610 N ASP A 39 31.731 17.743 21.777 1.00 0.00 N ATOM 611 CA ASP A 39 30.842 17.356 22.863 1.00 0.00 C ATOM 612 C ASP A 39 30.990 18.305 24.046 1.00 0.00 C ATOM 613 O ASP A 39 30.149 18.320 24.945 1.00 0.00 O ATOM 614 CB ASP A 39 31.155 15.927 23.313 1.00 0.00 C ATOM 615 CG ASP A 39 32.648 15.781 23.586 1.00 0.00 C ATOM 616 OD1 ASP A 39 33.422 16.008 22.672 1.00 0.00 O ATOM 617 OD2 ASP A 39 32.995 15.442 24.706 1.00 0.00 O ATOM 0 H ASP A 39 32.588 17.193 21.710 1.00 0.00 H new ATOM 0 HA ASP A 39 29.816 17.407 22.498 1.00 0.00 H new ATOM 0 HB2 ASP A 39 30.587 15.688 24.212 1.00 0.00 H new ATOM 0 HB3 ASP A 39 30.847 15.219 22.544 1.00 0.00 H new ATOM 622 N GLN A 40 32.068 19.096 24.050 1.00 0.00 N ATOM 623 CA GLN A 40 32.319 20.040 25.141 1.00 0.00 C ATOM 624 C GLN A 40 32.005 21.468 24.713 1.00 0.00 C ATOM 625 O GLN A 40 32.027 22.386 25.539 1.00 0.00 O ATOM 626 CB GLN A 40 33.788 19.958 25.562 1.00 0.00 C ATOM 627 CG GLN A 40 34.064 18.603 26.216 1.00 0.00 C ATOM 628 CD GLN A 40 35.462 18.594 26.826 1.00 0.00 C ATOM 629 OE1 GLN A 40 36.294 17.762 26.463 1.00 0.00 O ATOM 630 NE2 GLN A 40 35.773 19.477 27.735 1.00 0.00 N ATOM 0 H GLN A 40 32.775 19.101 23.315 1.00 0.00 H new ATOM 0 HA GLN A 40 31.671 19.774 25.976 1.00 0.00 H new ATOM 0 HB2 GLN A 40 34.433 20.091 24.693 1.00 0.00 H new ATOM 0 HB3 GLN A 40 34.022 20.763 26.259 1.00 0.00 H new ATOM 0 HG2 GLN A 40 33.320 18.404 26.988 1.00 0.00 H new ATOM 0 HG3 GLN A 40 33.976 17.808 25.476 1.00 0.00 H new ATOM 0 HE21 GLN A 40 35.083 20.165 28.035 1.00 0.00 H new ATOM 0 HE22 GLN A 40 36.707 19.479 28.146 1.00 0.00 H new ATOM 639 N GLN A 41 31.750 21.661 23.415 1.00 0.00 N ATOM 640 CA GLN A 41 31.470 22.996 22.880 1.00 0.00 C ATOM 641 C GLN A 41 30.037 23.122 22.383 1.00 0.00 C ATOM 642 O GLN A 41 29.473 22.192 21.807 1.00 0.00 O ATOM 643 CB GLN A 41 32.422 23.291 21.721 1.00 0.00 C ATOM 644 CG GLN A 41 32.299 24.762 21.317 1.00 0.00 C ATOM 645 CD GLN A 41 33.231 25.059 20.148 1.00 0.00 C ATOM 646 OE1 GLN A 41 32.781 25.492 19.089 1.00 0.00 O ATOM 647 NE2 GLN A 41 34.512 24.845 20.278 1.00 0.00 N ATOM 0 H GLN A 41 31.732 20.915 22.720 1.00 0.00 H new ATOM 0 HA GLN A 41 31.614 23.711 23.690 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.448 23.069 22.014 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.187 22.649 20.872 1.00 0.00 H new ATOM 0 HG2 GLN A 41 31.269 24.987 21.039 1.00 0.00 H new ATOM 0 HG3 GLN A 41 32.547 25.403 22.163 1.00 0.00 H new ATOM 0 HE21 GLN A 41 34.882 24.486 21.158 1.00 0.00 H new ATOM 0 HE22 GLN A 41 35.143 25.037 19.500 1.00 0.00 H new ATOM 656 N ARG A 42 29.469 24.307 22.599 1.00 0.00 N ATOM 657 CA ARG A 42 28.108 24.617 22.165 1.00 0.00 C ATOM 658 C ARG A 42 28.136 25.939 21.402 1.00 0.00 C ATOM 659 O ARG A 42 28.795 26.888 21.829 1.00 0.00 O ATOM 660 CB ARG A 42 27.178 24.739 23.382 1.00 0.00 C ATOM 661 CG ARG A 42 27.120 23.401 24.145 1.00 0.00 C ATOM 662 CD ARG A 42 26.078 22.473 23.510 1.00 0.00 C ATOM 663 NE ARG A 42 25.958 21.237 24.282 1.00 0.00 N ATOM 664 CZ ARG A 42 25.193 21.174 25.369 1.00 0.00 C ATOM 665 NH1 ARG A 42 25.106 20.059 26.044 1.00 0.00 N ATOM 666 NH2 ARG A 42 24.527 22.225 25.760 1.00 0.00 N ATOM 0 H ARG A 42 29.937 25.077 23.078 1.00 0.00 H new ATOM 0 HA ARG A 42 27.733 23.819 21.524 1.00 0.00 H new ATOM 0 HB2 ARG A 42 27.535 25.528 24.044 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.177 25.024 23.057 1.00 0.00 H new ATOM 0 HG2 ARG A 42 28.100 22.923 24.131 1.00 0.00 H new ATOM 0 HG3 ARG A 42 26.868 23.581 25.190 1.00 0.00 H new ATOM 0 HD2 ARG A 42 25.112 22.977 23.466 1.00 0.00 H new ATOM 0 HD3 ARG A 42 26.365 22.242 22.484 1.00 0.00 H new ATOM 0 HE ARG A 42 26.470 20.408 23.982 1.00 0.00 H new ATOM 0 HH11 ARG A 42 25.625 19.236 25.738 1.00 0.00 H new ATOM 0 HH12 ARG A 42 24.519 20.012 26.877 1.00 0.00 H new ATOM 0 HH21 ARG A 42 24.592 23.096 25.233 1.00 0.00 H new ATOM 0 HH22 ARG A 42 23.941 22.176 26.593 1.00 0.00 H new ATOM 680 N LEU A 43 27.437 26.005 20.266 1.00 0.00 N ATOM 681 CA LEU A 43 27.413 27.229 19.453 1.00 0.00 C ATOM 682 C LEU A 43 26.028 27.871 19.480 1.00 0.00 C ATOM 683 O LEU A 43 25.020 27.202 19.242 1.00 0.00 O ATOM 684 CB LEU A 43 27.787 26.891 18.004 1.00 0.00 C ATOM 685 CG LEU A 43 29.171 26.228 17.959 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.492 25.826 16.516 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.240 27.210 18.467 1.00 0.00 C ATOM 0 H LEU A 43 26.884 25.235 19.889 1.00 0.00 H new ATOM 0 HA LEU A 43 28.133 27.933 19.869 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.041 26.223 17.574 1.00 0.00 H new ATOM 0 HB3 LEU A 43 27.790 27.798 17.400 1.00 0.00 H new ATOM 0 HG LEU A 43 29.168 25.344 18.596 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.474 25.355 16.480 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.739 25.124 16.158 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.491 26.713 15.882 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.219 26.732 18.432 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.247 28.099 17.836 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.013 27.496 19.494 1.00 0.00 H new ATOM 699 N ILE A 44 25.981 29.174 19.789 1.00 0.00 N ATOM 700 CA ILE A 44 24.709 29.904 19.861 1.00 0.00 C ATOM 701 C ILE A 44 24.758 31.190 19.029 1.00 0.00 C ATOM 702 O ILE A 44 25.779 31.876 18.973 1.00 0.00 O ATOM 703 CB ILE A 44 24.391 30.246 21.320 1.00 0.00 C ATOM 704 CG1 ILE A 44 24.720 29.031 22.199 1.00 0.00 C ATOM 705 CG2 ILE A 44 22.903 30.601 21.451 1.00 0.00 C ATOM 706 CD1 ILE A 44 24.128 29.214 23.602 1.00 0.00 C ATOM 0 H ILE A 44 26.804 29.741 19.992 1.00 0.00 H new ATOM 0 HA ILE A 44 23.927 29.264 19.453 1.00 0.00 H new ATOM 0 HB ILE A 44 24.988 31.100 21.641 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.320 28.125 21.743 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.800 28.904 22.266 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.677 30.844 22.489 1.00 0.00 H new ATOM 0 HG22 ILE A 44 22.677 31.460 20.819 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.297 29.751 21.137 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.369 28.345 24.215 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.548 30.109 24.060 1.00 0.00 H new ATOM 0 HD13 ILE A 44 23.045 29.318 23.529 1.00 0.00 H new ATOM 718 N PHE A 45 23.624 31.506 18.407 1.00 0.00 N ATOM 719 CA PHE A 45 23.485 32.706 17.580 1.00 0.00 C ATOM 720 C PHE A 45 22.039 33.182 17.646 1.00 0.00 C ATOM 721 O PHE A 45 21.126 32.368 17.765 1.00 0.00 O ATOM 722 CB PHE A 45 23.841 32.385 16.124 1.00 0.00 C ATOM 723 CG PHE A 45 23.683 33.623 15.267 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.720 34.563 15.194 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.504 33.828 14.538 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.578 35.704 14.393 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.362 34.969 13.738 1.00 0.00 C ATOM 728 CZ PHE A 45 23.399 35.907 13.666 1.00 0.00 C ATOM 0 H PHE A 45 22.777 30.940 18.461 1.00 0.00 H new ATOM 0 HA PHE A 45 24.157 33.481 17.949 1.00 0.00 H new ATOM 0 HB2 PHE A 45 24.866 32.019 16.064 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.196 31.589 15.750 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.629 34.408 15.756 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.704 33.105 14.593 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.378 36.427 14.337 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.453 35.125 13.177 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.289 36.787 13.050 1.00 0.00 H new ATOM 738 N ALA A 46 21.819 34.490 17.576 1.00 0.00 N ATOM 739 CA ALA A 46 20.456 35.004 17.642 1.00 0.00 C ATOM 740 C ALA A 46 19.744 34.389 18.843 1.00 0.00 C ATOM 741 O ALA A 46 18.549 34.092 18.799 1.00 0.00 O ATOM 742 CB ALA A 46 19.705 34.663 16.350 1.00 0.00 C ATOM 0 H ALA A 46 22.546 35.198 17.476 1.00 0.00 H new ATOM 0 HA ALA A 46 20.480 36.088 17.754 1.00 0.00 H new ATOM 0 HB1 ALA A 46 18.688 35.050 16.407 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.218 35.115 15.501 1.00 0.00 H new ATOM 0 HB3 ALA A 46 19.674 33.581 16.222 1.00 0.00 H new ATOM 748 N GLY A 47 20.509 34.219 19.917 1.00 0.00 N ATOM 749 CA GLY A 47 20.001 33.662 21.165 1.00 0.00 C ATOM 750 C GLY A 47 19.499 32.220 21.027 1.00 0.00 C ATOM 751 O GLY A 47 18.898 31.693 21.962 1.00 0.00 O ATOM 0 H GLY A 47 21.499 34.464 19.946 1.00 0.00 H new ATOM 0 HA2 GLY A 47 20.790 33.694 21.917 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.187 34.289 21.530 1.00 0.00 H new ATOM 755 N LYS A 48 19.741 31.576 19.878 1.00 0.00 N ATOM 756 CA LYS A 48 19.286 30.185 19.674 1.00 0.00 C ATOM 757 C LYS A 48 20.456 29.229 19.475 1.00 0.00 C ATOM 758 O LYS A 48 21.431 29.548 18.793 1.00 0.00 O ATOM 759 CB LYS A 48 18.372 30.100 18.452 1.00 0.00 C ATOM 760 CG LYS A 48 17.827 28.675 18.309 1.00 0.00 C ATOM 761 CD LYS A 48 16.779 28.659 17.195 1.00 0.00 C ATOM 762 CE LYS A 48 16.310 27.226 16.941 1.00 0.00 C ATOM 763 NZ LYS A 48 15.781 26.646 18.207 1.00 0.00 N ATOM 0 H LYS A 48 20.239 31.982 19.086 1.00 0.00 H new ATOM 0 HA LYS A 48 18.744 29.892 20.573 1.00 0.00 H new ATOM 0 HB2 LYS A 48 17.548 30.806 18.553 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.923 30.380 17.554 1.00 0.00 H new ATOM 0 HG2 LYS A 48 18.636 27.983 18.076 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.385 28.344 19.249 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.931 29.284 17.473 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.200 29.080 16.282 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.537 27.216 16.173 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.137 26.622 16.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.223 25.795 17.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.574 26.392 18.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.177 27.346 18.684 1.00 0.00 H new ATOM 777 N GLN A 49 20.327 28.036 20.055 1.00 0.00 N ATOM 778 CA GLN A 49 21.344 27.008 19.930 1.00 0.00 C ATOM 779 C GLN A 49 21.221 26.314 18.575 1.00 0.00 C ATOM 780 O GLN A 49 20.125 25.931 18.165 1.00 0.00 O ATOM 781 CB GLN A 49 21.174 25.978 21.047 1.00 0.00 C ATOM 782 CG GLN A 49 21.586 26.591 22.386 1.00 0.00 C ATOM 783 CD GLN A 49 21.102 25.714 23.537 1.00 0.00 C ATOM 784 OE1 GLN A 49 21.142 24.487 23.444 1.00 0.00 O ATOM 785 NE2 GLN A 49 20.644 26.274 24.624 1.00 0.00 N ATOM 0 H GLN A 49 19.521 27.763 20.618 1.00 0.00 H new ATOM 0 HA GLN A 49 22.328 27.471 20.008 1.00 0.00 H new ATOM 0 HB2 GLN A 49 20.137 25.646 21.093 1.00 0.00 H new ATOM 0 HB3 GLN A 49 21.782 25.098 20.838 1.00 0.00 H new ATOM 0 HG2 GLN A 49 22.670 26.695 22.429 1.00 0.00 H new ATOM 0 HG3 GLN A 49 21.166 27.592 22.481 1.00 0.00 H new ATOM 0 HE21 GLN A 49 20.612 27.291 24.699 1.00 0.00 H new ATOM 0 HE22 GLN A 49 20.319 25.695 25.398 1.00 0.00 H new ATOM 794 N LEU A 50 22.340 26.165 17.877 1.00 0.00 N ATOM 795 CA LEU A 50 22.325 25.523 16.562 1.00 0.00 C ATOM 796 C LEU A 50 22.112 24.013 16.691 1.00 0.00 C ATOM 797 O LEU A 50 22.862 23.325 17.383 1.00 0.00 O ATOM 798 CB LEU A 50 23.637 25.809 15.828 1.00 0.00 C ATOM 799 CG LEU A 50 24.000 27.289 15.986 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.272 27.593 15.193 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.853 28.162 15.462 1.00 0.00 C ATOM 0 H LEU A 50 23.260 26.474 18.191 1.00 0.00 H new ATOM 0 HA LEU A 50 21.495 25.935 15.988 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.434 25.183 16.229 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.537 25.559 14.772 1.00 0.00 H new ATOM 0 HG LEU A 50 24.168 27.506 17.041 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.529 28.646 15.307 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.090 26.978 15.568 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.105 27.372 14.139 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.115 29.214 15.576 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.681 27.943 14.408 1.00 0.00 H new ATOM 0 HD23 LEU A 50 21.946 27.950 16.029 1.00 0.00 H new ATOM 813 N GLU A 51 21.070 23.516 16.022 1.00 0.00 N ATOM 814 CA GLU A 51 20.737 22.092 16.064 1.00 0.00 C ATOM 815 C GLU A 51 21.596 21.285 15.095 1.00 0.00 C ATOM 816 O GLU A 51 21.823 21.677 13.947 1.00 0.00 O ATOM 817 CB GLU A 51 19.254 21.892 15.715 1.00 0.00 C ATOM 818 CG GLU A 51 18.394 22.149 16.952 1.00 0.00 C ATOM 819 CD GLU A 51 16.921 21.928 16.621 1.00 0.00 C ATOM 820 OE1 GLU A 51 16.359 22.756 15.923 1.00 0.00 O ATOM 821 OE2 GLU A 51 16.376 20.933 17.070 1.00 0.00 O ATOM 0 H GLU A 51 20.443 24.078 15.446 1.00 0.00 H new ATOM 0 HA GLU A 51 20.935 21.735 17.075 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.965 22.570 14.912 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.090 20.878 15.350 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.697 21.483 17.760 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.546 23.169 17.305 1.00 0.00 H new ATOM 828 N ASP A 52 22.053 20.137 15.570 1.00 0.00 N ATOM 829 CA ASP A 52 22.871 19.256 14.762 1.00 0.00 C ATOM 830 C ASP A 52 22.088 18.750 13.552 1.00 0.00 C ATOM 831 O ASP A 52 20.894 18.468 13.648 1.00 0.00 O ATOM 832 CB ASP A 52 23.337 18.066 15.603 1.00 0.00 C ATOM 833 CG ASP A 52 24.015 18.561 16.877 1.00 0.00 C ATOM 834 OD1 ASP A 52 24.819 19.473 16.781 1.00 0.00 O ATOM 835 OD2 ASP A 52 23.719 18.020 17.930 1.00 0.00 O ATOM 0 H ASP A 52 21.869 19.796 16.514 1.00 0.00 H new ATOM 0 HA ASP A 52 23.736 19.817 14.409 1.00 0.00 H new ATOM 0 HB2 ASP A 52 22.486 17.434 15.856 1.00 0.00 H new ATOM 0 HB3 ASP A 52 24.030 17.452 15.027 1.00 0.00 H new ATOM 840 N GLY A 53 22.773 18.623 12.417 1.00 0.00 N ATOM 841 CA GLY A 53 22.139 18.134 11.193 1.00 0.00 C ATOM 842 C GLY A 53 21.534 19.269 10.367 1.00 0.00 C ATOM 843 O GLY A 53 21.137 19.057 9.221 1.00 0.00 O ATOM 0 H GLY A 53 23.762 18.851 12.319 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.875 17.601 10.592 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.359 17.418 11.450 1.00 0.00 H new ATOM 847 N ARG A 54 21.479 20.478 10.934 1.00 0.00 N ATOM 848 CA ARG A 54 20.932 21.627 10.203 1.00 0.00 C ATOM 849 C ARG A 54 22.048 22.402 9.507 1.00 0.00 C ATOM 850 O ARG A 54 23.205 22.355 9.924 1.00 0.00 O ATOM 851 CB ARG A 54 20.187 22.556 11.163 1.00 0.00 C ATOM 852 CG ARG A 54 19.196 21.742 12.000 1.00 0.00 C ATOM 853 CD ARG A 54 18.227 21.000 11.074 1.00 0.00 C ATOM 854 NE ARG A 54 17.010 20.648 11.792 1.00 0.00 N ATOM 855 CZ ARG A 54 15.976 20.108 11.157 1.00 0.00 C ATOM 856 NH1 ARG A 54 14.880 19.832 11.810 1.00 0.00 N ATOM 857 NH2 ARG A 54 16.059 19.845 9.881 1.00 0.00 N ATOM 0 H ARG A 54 21.800 20.686 11.880 1.00 0.00 H new ATOM 0 HA ARG A 54 20.238 21.253 9.450 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.896 23.066 11.815 1.00 0.00 H new ATOM 0 HB3 ARG A 54 19.658 23.327 10.602 1.00 0.00 H new ATOM 0 HG2 ARG A 54 19.733 21.030 12.627 1.00 0.00 H new ATOM 0 HG3 ARG A 54 18.643 22.401 12.669 1.00 0.00 H new ATOM 0 HD2 ARG A 54 17.983 21.626 10.216 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.702 20.099 10.686 1.00 0.00 H new ATOM 0 HE ARG A 54 16.951 20.818 12.796 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.817 20.031 12.808 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.086 19.417 11.322 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.918 20.054 9.372 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.265 19.430 9.393 1.00 0.00 H new ATOM 871 N THR A 55 21.687 23.126 8.444 1.00 0.00 N ATOM 872 CA THR A 55 22.656 23.928 7.690 1.00 0.00 C ATOM 873 C THR A 55 22.574 25.385 8.131 1.00 0.00 C ATOM 874 O THR A 55 21.567 25.805 8.700 1.00 0.00 O ATOM 875 CB THR A 55 22.356 23.830 6.191 1.00 0.00 C ATOM 876 OG1 THR A 55 20.975 24.085 5.971 1.00 0.00 O ATOM 877 CG2 THR A 55 22.705 22.428 5.684 1.00 0.00 C ATOM 0 H THR A 55 20.733 23.174 8.086 1.00 0.00 H new ATOM 0 HA THR A 55 23.659 23.548 7.883 1.00 0.00 H new ATOM 0 HB THR A 55 22.955 24.565 5.653 1.00 0.00 H new ATOM 0 HG1 THR A 55 20.871 24.940 5.503 1.00 0.00 H new ATOM 0 HG21 THR A 55 22.490 22.363 4.617 1.00 0.00 H new ATOM 0 HG22 THR A 55 23.764 22.233 5.853 1.00 0.00 H new ATOM 0 HG23 THR A 55 22.110 21.689 6.220 1.00 0.00 H new ATOM 885 N LEU A 56 23.621 26.163 7.866 1.00 0.00 N ATOM 886 CA LEU A 56 23.607 27.569 8.260 1.00 0.00 C ATOM 887 C LEU A 56 22.441 28.288 7.578 1.00 0.00 C ATOM 888 O LEU A 56 21.790 29.131 8.194 1.00 0.00 O ATOM 889 CB LEU A 56 24.953 28.256 7.920 1.00 0.00 C ATOM 890 CG LEU A 56 25.932 28.155 9.108 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.382 26.700 9.290 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.155 29.042 8.836 1.00 0.00 C ATOM 0 H LEU A 56 24.470 25.854 7.392 1.00 0.00 H new ATOM 0 HA LEU A 56 23.472 27.626 9.340 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.393 27.789 7.039 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.780 29.303 7.673 1.00 0.00 H new ATOM 0 HG LEU A 56 25.432 28.490 10.017 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.073 26.635 10.130 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.513 26.072 9.486 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.880 26.357 8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.848 28.972 9.674 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.652 28.708 7.925 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.834 30.077 8.715 1.00 0.00 H new ATOM 904 N SER A 57 22.183 27.969 6.306 1.00 0.00 N ATOM 905 CA SER A 57 21.092 28.615 5.579 1.00 0.00 C ATOM 906 C SER A 57 19.839 28.667 6.440 1.00 0.00 C ATOM 907 O SER A 57 19.110 29.660 6.432 1.00 0.00 O ATOM 908 CB SER A 57 20.781 27.852 4.289 1.00 0.00 C ATOM 909 OG SER A 57 20.378 26.527 4.611 1.00 0.00 O ATOM 0 H SER A 57 22.706 27.279 5.768 1.00 0.00 H new ATOM 0 HA SER A 57 21.406 29.629 5.332 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.992 28.360 3.734 1.00 0.00 H new ATOM 0 HB3 SER A 57 21.660 27.830 3.645 1.00 0.00 H new ATOM 0 HG SER A 57 20.177 26.037 3.787 1.00 0.00 H new ATOM 915 N ASP A 58 19.597 27.597 7.192 1.00 0.00 N ATOM 916 CA ASP A 58 18.432 27.546 8.062 1.00 0.00 C ATOM 917 C ASP A 58 18.425 28.775 8.960 1.00 0.00 C ATOM 918 O ASP A 58 17.396 29.425 9.145 1.00 0.00 O ATOM 919 CB ASP A 58 18.473 26.276 8.918 1.00 0.00 C ATOM 920 CG ASP A 58 18.432 25.037 8.027 1.00 0.00 C ATOM 921 OD1 ASP A 58 18.201 25.191 6.839 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.632 23.951 8.547 1.00 0.00 O ATOM 0 H ASP A 58 20.186 26.764 7.215 1.00 0.00 H new ATOM 0 HA ASP A 58 17.526 27.531 7.456 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.379 26.267 9.524 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.628 26.266 9.607 1.00 0.00 H new ATOM 927 N TYR A 59 19.602 29.090 9.496 1.00 0.00 N ATOM 928 CA TYR A 59 19.787 30.249 10.367 1.00 0.00 C ATOM 929 C TYR A 59 20.474 31.371 9.585 1.00 0.00 C ATOM 930 O TYR A 59 21.673 31.295 9.352 1.00 0.00 O ATOM 931 CB TYR A 59 20.679 29.852 11.544 1.00 0.00 C ATOM 932 CG TYR A 59 20.107 28.633 12.233 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.742 27.389 12.110 1.00 0.00 C ATOM 934 CD2 TYR A 59 18.944 28.751 13.000 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.211 26.265 12.756 1.00 0.00 C ATOM 936 CE2 TYR A 59 18.413 27.628 13.644 1.00 0.00 C ATOM 937 CZ TYR A 59 19.046 26.385 13.523 1.00 0.00 C ATOM 938 OH TYR A 59 18.522 25.279 14.160 1.00 0.00 O ATOM 0 H TYR A 59 20.453 28.550 9.339 1.00 0.00 H new ATOM 0 HA TYR A 59 18.817 30.591 10.728 1.00 0.00 H new ATOM 0 HB2 TYR A 59 21.689 29.641 11.192 1.00 0.00 H new ATOM 0 HB3 TYR A 59 20.754 30.679 12.250 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.640 27.297 11.517 1.00 0.00 H new ATOM 0 HD2 TYR A 59 18.455 29.709 13.095 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.700 25.307 12.662 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.514 27.720 14.235 1.00 0.00 H new ATOM 0 HH TYR A 59 17.713 25.536 14.650 1.00 0.00 H new ATOM 948 N ASN A 60 19.697 32.363 9.130 1.00 0.00 N ATOM 949 CA ASN A 60 20.230 33.471 8.312 1.00 0.00 C ATOM 950 C ASN A 60 21.510 34.113 8.881 1.00 0.00 C ATOM 951 O ASN A 60 21.511 35.280 9.275 1.00 0.00 O ATOM 952 CB ASN A 60 19.161 34.555 8.126 1.00 0.00 C ATOM 953 CG ASN A 60 17.807 33.916 7.825 1.00 0.00 C ATOM 954 OD1 ASN A 60 17.202 33.300 8.701 1.00 0.00 O ATOM 955 ND2 ASN A 60 17.288 34.032 6.630 1.00 0.00 N ATOM 0 H ASN A 60 18.695 32.425 9.313 1.00 0.00 H new ATOM 0 HA ASN A 60 20.501 33.026 7.355 1.00 0.00 H new ATOM 0 HB2 ASN A 60 19.091 35.165 9.027 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.446 35.221 7.311 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.382 33.612 6.425 1.00 0.00 H new ATOM 0 HD22 ASN A 60 17.790 34.543 5.904 1.00 0.00 H new ATOM 962 N ILE A 61 22.595 33.340 8.888 1.00 0.00 N ATOM 963 CA ILE A 61 23.899 33.806 9.361 1.00 0.00 C ATOM 964 C ILE A 61 24.733 34.243 8.155 1.00 0.00 C ATOM 965 O ILE A 61 25.276 33.401 7.442 1.00 0.00 O ATOM 966 CB ILE A 61 24.626 32.658 10.074 1.00 0.00 C ATOM 967 CG1 ILE A 61 23.895 32.295 11.370 1.00 0.00 C ATOM 968 CG2 ILE A 61 26.064 33.075 10.402 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.480 30.993 11.927 1.00 0.00 C ATOM 0 H ILE A 61 22.595 32.372 8.566 1.00 0.00 H new ATOM 0 HA ILE A 61 23.763 34.639 10.051 1.00 0.00 H new ATOM 0 HB ILE A 61 24.640 31.790 9.414 1.00 0.00 H new ATOM 0 HG12 ILE A 61 24.002 33.098 12.100 1.00 0.00 H new ATOM 0 HG13 ILE A 61 22.828 32.177 11.180 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.574 32.255 10.908 1.00 0.00 H new ATOM 0 HG22 ILE A 61 26.592 33.317 9.480 1.00 0.00 H new ATOM 0 HG23 ILE A 61 26.050 33.950 11.052 1.00 0.00 H new ATOM 0 HD11 ILE A 61 23.964 30.728 12.850 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.350 30.194 11.197 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.542 31.129 12.131 1.00 0.00 H new ATOM 981 N GLN A 62 24.823 35.549 7.909 1.00 0.00 N ATOM 982 CA GLN A 62 25.584 36.039 6.755 1.00 0.00 C ATOM 983 C GLN A 62 27.071 36.177 7.057 1.00 0.00 C ATOM 984 O GLN A 62 27.511 36.026 8.197 1.00 0.00 O ATOM 985 CB GLN A 62 25.036 37.385 6.285 1.00 0.00 C ATOM 986 CG GLN A 62 23.515 37.301 6.163 1.00 0.00 C ATOM 987 CD GLN A 62 22.962 38.629 5.662 1.00 0.00 C ATOM 988 OE1 GLN A 62 22.097 38.653 4.786 1.00 0.00 O ATOM 989 NE2 GLN A 62 23.414 39.744 6.168 1.00 0.00 N ATOM 0 H GLN A 62 24.389 36.276 8.478 1.00 0.00 H new ATOM 0 HA GLN A 62 25.469 35.296 5.966 1.00 0.00 H new ATOM 0 HB2 GLN A 62 25.312 38.169 6.991 1.00 0.00 H new ATOM 0 HB3 GLN A 62 25.474 37.653 5.324 1.00 0.00 H new ATOM 0 HG2 GLN A 62 23.240 36.500 5.477 1.00 0.00 H new ATOM 0 HG3 GLN A 62 23.077 37.056 7.130 1.00 0.00 H new ATOM 0 HE21 GLN A 62 24.131 39.721 6.894 1.00 0.00 H new ATOM 0 HE22 GLN A 62 23.051 40.638 5.838 1.00 0.00 H new ATOM 998 N LYS A 63 27.836 36.454 6.003 1.00 0.00 N ATOM 999 CA LYS A 63 29.280 36.595 6.126 1.00 0.00 C ATOM 1000 C LYS A 63 29.665 37.707 7.097 1.00 0.00 C ATOM 1001 O LYS A 63 28.966 38.713 7.235 1.00 0.00 O ATOM 1002 CB LYS A 63 29.921 36.845 4.752 1.00 0.00 C ATOM 1003 CG LYS A 63 29.439 38.167 4.142 1.00 0.00 C ATOM 1004 CD LYS A 63 30.130 38.358 2.785 1.00 0.00 C ATOM 1005 CE LYS A 63 29.648 39.650 2.121 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.230 39.491 1.693 1.00 0.00 N ATOM 0 H LYS A 63 27.478 36.585 5.057 1.00 0.00 H new ATOM 0 HA LYS A 63 29.660 35.657 6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.006 36.863 4.853 1.00 0.00 H new ATOM 0 HB3 LYS A 63 29.677 36.022 4.080 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.356 38.154 4.017 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.673 38.999 4.807 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.211 38.392 2.921 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.917 37.507 2.138 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.737 40.484 2.817 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.274 39.884 1.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.981 40.251 1.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.110 38.570 1.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.608 39.541 2.525 1.00 0.00 H new ATOM 1020 N GLU A 64 30.801 37.500 7.757 1.00 0.00 N ATOM 1021 CA GLU A 64 31.337 38.458 8.718 1.00 0.00 C ATOM 1022 C GLU A 64 30.349 38.758 9.845 1.00 0.00 C ATOM 1023 O GLU A 64 29.855 39.878 9.971 1.00 0.00 O ATOM 1024 CB GLU A 64 31.730 39.747 7.998 1.00 0.00 C ATOM 1025 CG GLU A 64 32.624 39.392 6.807 1.00 0.00 C ATOM 1026 CD GLU A 64 33.114 40.659 6.117 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.738 41.469 6.782 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.863 40.797 4.931 1.00 0.00 O ATOM 0 H GLU A 64 31.375 36.665 7.641 1.00 0.00 H new ATOM 0 HA GLU A 64 32.219 38.011 9.176 1.00 0.00 H new ATOM 0 HB2 GLU A 64 30.840 40.276 7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 64 32.257 40.415 8.680 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.475 38.802 7.146 1.00 0.00 H new ATOM 0 HG3 GLU A 64 32.070 38.775 6.099 1.00 0.00 H new HETATM 1035 N SEP A 65 30.096 37.750 10.684 1.00 0.00 N HETATM 1036 CA SEP A 65 29.198 37.894 11.834 1.00 0.00 C HETATM 1037 CB SEP A 65 27.893 37.130 11.584 1.00 0.00 C HETATM 1038 OG SEP A 65 27.160 37.770 10.541 1.00 0.00 O HETATM 1039 C SEP A 65 29.897 37.322 13.065 1.00 0.00 C HETATM 1040 O SEP A 65 30.822 36.522 12.928 1.00 0.00 O HETATM 1041 P SEP A 65 26.039 38.771 10.876 1.00 0.00 P HETATM 1042 O1P SEP A 65 25.327 39.069 9.513 1.00 0.00 O HETATM 1043 O2P SEP A 65 26.769 40.018 11.482 1.00 0.00 O HETATM 1044 O3P SEP A 65 25.121 38.028 11.907 1.00 0.00 O HETATM 0 HB3 SEP A 65 28.110 36.098 11.310 1.00 0.00 H new HETATM 0 HB2 SEP A 65 27.297 37.099 12.496 1.00 0.00 H new HETATM 0 HA SEP A 65 28.961 38.947 11.987 1.00 0.00 H new ATOM 1049 N THR A 66 29.472 37.719 14.264 1.00 0.00 N ATOM 1050 CA THR A 66 30.100 37.207 15.488 1.00 0.00 C ATOM 1051 C THR A 66 29.291 36.049 16.066 1.00 0.00 C ATOM 1052 O THR A 66 28.111 36.201 16.391 1.00 0.00 O ATOM 1053 CB THR A 66 30.210 38.319 16.531 1.00 0.00 C ATOM 1054 OG1 THR A 66 30.902 39.424 15.967 1.00 0.00 O ATOM 1055 CG2 THR A 66 30.981 37.799 17.748 1.00 0.00 C ATOM 0 H THR A 66 28.711 38.380 14.417 1.00 0.00 H new ATOM 0 HA THR A 66 31.097 36.849 15.232 1.00 0.00 H new ATOM 0 HB THR A 66 29.213 38.633 16.840 1.00 0.00 H new ATOM 0 HG1 THR A 66 30.973 40.140 16.633 1.00 0.00 H new ATOM 0 HG21 THR A 66 31.061 38.590 18.493 1.00 0.00 H new ATOM 0 HG22 THR A 66 30.452 36.948 18.177 1.00 0.00 H new ATOM 0 HG23 THR A 66 31.979 37.488 17.441 1.00 0.00 H new ATOM 1063 N LEU A 67 29.937 34.886 16.185 1.00 0.00 N ATOM 1064 CA LEU A 67 29.286 33.689 16.722 1.00 0.00 C ATOM 1065 C LEU A 67 29.686 33.503 18.184 1.00 0.00 C ATOM 1066 O LEU A 67 30.815 33.818 18.563 1.00 0.00 O ATOM 1067 CB LEU A 67 29.710 32.458 15.907 1.00 0.00 C ATOM 1068 CG LEU A 67 28.945 31.211 16.381 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.434 31.394 16.142 1.00 0.00 C ATOM 1070 CD2 LEU A 67 29.452 29.981 15.611 1.00 0.00 C ATOM 0 H LEU A 67 30.911 34.748 15.916 1.00 0.00 H new ATOM 0 HA LEU A 67 28.204 33.806 16.656 1.00 0.00 H new ATOM 0 HB2 LEU A 67 29.516 32.631 14.848 1.00 0.00 H new ATOM 0 HB3 LEU A 67 30.783 32.296 16.012 1.00 0.00 H new ATOM 0 HG LEU A 67 29.115 31.068 17.448 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.902 30.505 16.481 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.080 32.263 16.697 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.249 31.544 15.078 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.912 29.095 15.944 1.00 0.00 H new ATOM 0 HD22 LEU A 67 29.287 30.126 14.543 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.518 29.848 15.798 1.00 0.00 H new ATOM 1082 N HIS A 68 28.768 32.997 19.015 1.00 0.00 N ATOM 1083 CA HIS A 68 29.069 32.790 20.430 1.00 0.00 C ATOM 1084 C HIS A 68 29.533 31.351 20.669 1.00 0.00 C ATOM 1085 O HIS A 68 28.791 30.405 20.404 1.00 0.00 O ATOM 1086 CB HIS A 68 27.823 33.072 21.273 1.00 0.00 C ATOM 1087 CG HIS A 68 27.488 34.539 21.199 1.00 0.00 C ATOM 1088 ND1 HIS A 68 26.725 35.073 20.171 1.00 0.00 N ATOM 1089 CD2 HIS A 68 27.805 35.596 22.017 1.00 0.00 C ATOM 1090 CE1 HIS A 68 26.609 36.395 20.396 1.00 0.00 C ATOM 1091 NE2 HIS A 68 27.249 36.766 21.508 1.00 0.00 N ATOM 0 H HIS A 68 27.825 32.728 18.735 1.00 0.00 H new ATOM 0 HA HIS A 68 29.867 33.473 20.721 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.984 32.478 20.911 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.998 32.780 22.308 1.00 0.00 H new ATOM 0 HD2 HIS A 68 28.396 35.529 22.918 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.065 37.073 19.755 1.00 0.00 H new ATOM 0 HE2 HIS A 68 27.316 37.705 21.900 1.00 0.00 H new ATOM 1100 N LEU A 69 30.760 31.184 21.176 1.00 0.00 N ATOM 1101 CA LEU A 69 31.306 29.870 21.453 1.00 0.00 C ATOM 1102 C LEU A 69 31.349 29.674 22.953 1.00 0.00 C ATOM 1103 O LEU A 69 32.150 30.286 23.660 1.00 0.00 O ATOM 1104 CB LEU A 69 32.712 29.757 20.857 1.00 0.00 C ATOM 1105 CG LEU A 69 33.228 28.308 20.972 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.442 28.125 20.053 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.631 27.992 22.429 1.00 0.00 C ATOM 0 H LEU A 69 31.390 31.954 21.401 1.00 0.00 H new ATOM 0 HA LEU A 69 30.681 29.099 21.002 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.696 30.063 19.811 1.00 0.00 H new ATOM 0 HB3 LEU A 69 33.390 30.434 21.377 1.00 0.00 H new ATOM 0 HG LEU A 69 32.432 27.626 20.673 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.808 27.101 20.133 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.152 28.327 19.022 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.231 28.816 20.350 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.993 26.966 22.492 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.420 28.675 22.745 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.765 28.112 23.080 1.00 0.00 H new ATOM 1119 N VAL A 70 30.475 28.807 23.423 1.00 0.00 N ATOM 1120 CA VAL A 70 30.378 28.490 24.845 1.00 0.00 C ATOM 1121 C VAL A 70 30.855 27.066 25.086 1.00 0.00 C ATOM 1122 O VAL A 70 30.610 26.173 24.277 1.00 0.00 O ATOM 1123 CB VAL A 70 28.928 28.643 25.304 1.00 0.00 C ATOM 1124 CG1 VAL A 70 28.815 28.291 26.788 1.00 0.00 C ATOM 1125 CG2 VAL A 70 28.483 30.092 25.090 1.00 0.00 C ATOM 0 H VAL A 70 29.811 28.300 22.837 1.00 0.00 H new ATOM 0 HA VAL A 70 31.007 29.174 25.415 1.00 0.00 H new ATOM 0 HB VAL A 70 28.292 27.972 24.727 1.00 0.00 H new ATOM 0 HG11 VAL A 70 27.780 28.402 27.110 1.00 0.00 H new ATOM 0 HG12 VAL A 70 29.135 27.261 26.943 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.450 28.960 27.370 1.00 0.00 H new ATOM 0 HG21 VAL A 70 27.449 30.207 25.416 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.122 30.758 25.669 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.560 30.344 24.032 1.00 0.00 H new ATOM 1135 N LEU A 71 31.544 26.860 26.203 1.00 0.00 N ATOM 1136 CA LEU A 71 32.065 25.538 26.551 1.00 0.00 C ATOM 1137 C LEU A 71 31.538 25.087 27.905 1.00 0.00 C ATOM 1138 O LEU A 71 30.897 25.851 28.625 1.00 0.00 O ATOM 1139 CB LEU A 71 33.601 25.567 26.569 1.00 0.00 C ATOM 1140 CG LEU A 71 34.108 26.280 27.836 1.00 0.00 C ATOM 1141 CD1 LEU A 71 35.624 26.431 27.767 1.00 0.00 C ATOM 1142 CD2 LEU A 71 33.455 27.666 27.947 1.00 0.00 C ATOM 0 H LEU A 71 31.756 27.589 26.884 1.00 0.00 H new ATOM 0 HA LEU A 71 31.727 24.827 25.797 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.991 24.550 26.535 1.00 0.00 H new ATOM 0 HB3 LEU A 71 33.972 26.080 25.682 1.00 0.00 H new ATOM 0 HG LEU A 71 33.844 25.688 28.712 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.981 26.936 28.665 1.00 0.00 H new ATOM 0 HD12 LEU A 71 36.085 25.446 27.697 1.00 0.00 H new ATOM 0 HD13 LEU A 71 35.891 27.019 26.889 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.816 28.168 28.845 1.00 0.00 H new ATOM 0 HD22 LEU A 71 33.713 28.261 27.071 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.372 27.555 28.004 1.00 0.00 H new ATOM 1154 N ARG A 72 31.833 23.842 28.247 1.00 0.00 N ATOM 1155 CA ARG A 72 31.402 23.295 29.525 1.00 0.00 C ATOM 1156 C ARG A 72 32.061 24.049 30.676 1.00 0.00 C ATOM 1157 O ARG A 72 31.383 24.543 31.577 1.00 0.00 O ATOM 1158 CB ARG A 72 31.771 21.813 29.607 1.00 0.00 C ATOM 1159 CG ARG A 72 31.105 21.186 30.833 1.00 0.00 C ATOM 1160 CD ARG A 72 31.486 19.707 30.918 1.00 0.00 C ATOM 1161 NE ARG A 72 31.041 19.002 29.721 1.00 0.00 N ATOM 1162 CZ ARG A 72 31.484 17.781 29.439 1.00 0.00 C ATOM 1163 NH1 ARG A 72 31.070 17.169 28.363 1.00 0.00 N ATOM 1164 NH2 ARG A 72 32.334 17.194 30.237 1.00 0.00 N ATOM 0 H ARG A 72 32.364 23.196 27.663 1.00 0.00 H new ATOM 0 HA ARG A 72 30.320 23.405 29.603 1.00 0.00 H new ATOM 0 HB2 ARG A 72 31.450 21.297 28.702 1.00 0.00 H new ATOM 0 HB3 ARG A 72 32.853 21.700 29.671 1.00 0.00 H new ATOM 0 HG2 ARG A 72 31.420 21.706 31.737 1.00 0.00 H new ATOM 0 HG3 ARG A 72 30.022 21.291 30.766 1.00 0.00 H new ATOM 0 HD2 ARG A 72 32.566 19.608 31.027 1.00 0.00 H new ATOM 0 HD3 ARG A 72 31.034 19.258 31.802 1.00 0.00 H new ATOM 0 HE ARG A 72 30.379 19.454 29.090 1.00 0.00 H new ATOM 0 HH11 ARG A 72 30.407 17.628 27.739 1.00 0.00 H new ATOM 0 HH12 ARG A 72 31.410 16.232 28.146 1.00 0.00 H new ATOM 0 HH21 ARG A 72 32.659 17.672 31.077 1.00 0.00 H new ATOM 0 HH22 ARG A 72 32.674 16.257 30.020 1.00 0.00 H new ATOM 1178 N LEU A 73 33.387 24.136 30.636 1.00 0.00 N ATOM 1179 CA LEU A 73 34.125 24.833 31.681 1.00 0.00 C ATOM 1180 C LEU A 73 33.881 26.338 31.589 1.00 0.00 C ATOM 1181 O LEU A 73 34.442 27.018 30.730 1.00 0.00 O ATOM 1182 CB LEU A 73 35.627 24.540 31.551 1.00 0.00 C ATOM 1183 CG LEU A 73 35.940 23.139 32.100 1.00 0.00 C ATOM 1184 CD1 LEU A 73 35.094 22.089 31.372 1.00 0.00 C ATOM 1185 CD2 LEU A 73 37.426 22.828 31.891 1.00 0.00 C ATOM 0 H LEU A 73 33.967 23.736 29.898 1.00 0.00 H new ATOM 0 HA LEU A 73 33.775 24.478 32.650 1.00 0.00 H new ATOM 0 HB2 LEU A 73 35.929 24.606 30.506 1.00 0.00 H new ATOM 0 HB3 LEU A 73 36.200 25.290 32.096 1.00 0.00 H new ATOM 0 HG LEU A 73 35.705 23.113 33.164 1.00 0.00 H new ATOM 0 HD11 LEU A 73 35.323 21.099 31.768 1.00 0.00 H new ATOM 0 HD12 LEU A 73 34.036 22.305 31.524 1.00 0.00 H new ATOM 0 HD13 LEU A 73 35.320 22.115 30.306 1.00 0.00 H new ATOM 0 HD21 LEU A 73 37.648 21.834 32.280 1.00 0.00 H new ATOM 0 HD22 LEU A 73 37.658 22.861 30.827 1.00 0.00 H new ATOM 0 HD23 LEU A 73 38.030 23.567 32.417 1.00 0.00 H new ATOM 1197 N ARG A 74 33.035 26.847 32.479 1.00 0.00 N ATOM 1198 CA ARG A 74 32.715 28.270 32.496 1.00 0.00 C ATOM 1199 C ARG A 74 33.940 29.094 32.881 1.00 0.00 C ATOM 1200 O ARG A 74 34.165 30.179 32.344 1.00 0.00 O ATOM 1201 CB ARG A 74 31.590 28.533 33.498 1.00 0.00 C ATOM 1202 CG ARG A 74 30.356 27.717 33.106 1.00 0.00 C ATOM 1203 CD ARG A 74 29.147 28.204 33.905 1.00 0.00 C ATOM 1204 NE ARG A 74 27.988 27.361 33.632 1.00 0.00 N ATOM 1205 CZ ARG A 74 27.295 27.490 32.505 1.00 0.00 C ATOM 1206 NH1 ARG A 74 26.260 26.727 32.285 1.00 0.00 N ATOM 1207 NH2 ARG A 74 27.651 28.379 31.619 1.00 0.00 N ATOM 0 H ARG A 74 32.560 26.298 33.195 1.00 0.00 H new ATOM 0 HA ARG A 74 32.395 28.564 31.496 1.00 0.00 H new ATOM 0 HB2 ARG A 74 31.913 28.263 34.503 1.00 0.00 H new ATOM 0 HB3 ARG A 74 31.346 29.595 33.516 1.00 0.00 H new ATOM 0 HG2 ARG A 74 30.164 27.819 32.038 1.00 0.00 H new ATOM 0 HG3 ARG A 74 30.530 26.659 33.299 1.00 0.00 H new ATOM 0 HD2 ARG A 74 29.375 28.186 34.971 1.00 0.00 H new ATOM 0 HD3 ARG A 74 28.923 29.238 33.644 1.00 0.00 H new ATOM 0 HE ARG A 74 27.705 26.661 34.317 1.00 0.00 H new ATOM 0 HH11 ARG A 74 25.983 26.032 32.978 1.00 0.00 H new ATOM 0 HH12 ARG A 74 25.728 26.826 31.420 1.00 0.00 H new ATOM 0 HH21 ARG A 74 28.461 28.975 31.791 1.00 0.00 H new ATOM 0 HH22 ARG A 74 27.120 28.478 30.754 1.00 0.00 H new ATOM 1221 N GLY A 75 34.727 28.575 33.817 1.00 0.00 N ATOM 1222 CA GLY A 75 35.925 29.274 34.269 1.00 0.00 C ATOM 1223 C GLY A 75 35.560 30.516 35.076 1.00 0.00 C ATOM 1224 O GLY A 75 34.713 30.462 35.967 1.00 0.00 O ATOM 0 H GLY A 75 34.559 27.679 34.275 1.00 0.00 H new ATOM 0 HA2 GLY A 75 36.533 28.605 34.879 1.00 0.00 H new ATOM 0 HA3 GLY A 75 36.530 29.560 33.409 1.00 0.00 H new ATOM 1228 N GLY A 76 36.207 31.633 34.758 1.00 0.00 N ATOM 1229 CA GLY A 76 35.942 32.883 35.463 1.00 0.00 C ATOM 1230 C GLY A 76 34.445 33.164 35.530 1.00 0.00 C ATOM 1231 O GLY A 76 33.852 32.864 36.553 1.00 0.00 O ATOM 1232 OXT GLY A 76 33.914 33.675 34.558 1.00 0.00 O ATOM 0 H GLY A 76 36.912 31.699 34.024 1.00 0.00 H new ATOM 0 HA2 GLY A 76 36.351 32.830 36.472 1.00 0.00 H new ATOM 0 HA3 GLY A 76 36.448 33.705 34.957 1.00 0.00 H new TER 1236 GLY A 76