USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=20 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 25 ASN :FLIP amide:sc= -3.4! C(o=-9.9!,f=-7!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -148:sc= -3.59! (180deg=-0.381) USER MOD Set 2.1: A 7 THR OG1 : rot -161:sc= 0.752 USER MOD Set 2.2: A 9 THR OG1 : rot -2:sc= 0.651 USER MOD Set 2.3: A 11 LYS NZ :NH3+ 170:sc= -0.184 (180deg=-0.451) USER MOD Single : A 1 MET CE :methyl -151:sc= -0.0114 (180deg=-1.45) USER MOD Single : A 1 MET N :NH3+ 178:sc= 1.33 (180deg=1.25) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.00075) USER MOD Single : A 6 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 -81:sc= 1.52 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.209 USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 0.251 (180deg=0.195) USER MOD Single : A 31 GLN : amide:sc= -0.281 K(o=-0.28,f=-2.1!) USER MOD Single : A 33 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.335) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.358 F(o=-2!,f=-0.36) USER MOD Single : A 41 GLN : amide:sc= -6.48! C(o=-6.5!,f=-11!) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -0.0377 (180deg=-0.361) USER MOD Single : A 49 GLN : amide:sc= -0.534 X(o=-0.53,f=-0.11) USER MOD Single : A 55 THR OG1 : rot 7:sc= 0.47 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.264 USER MOD Single : A 60 ASN : amide:sc= -0.0187 K(o=-0.019,f=-1.2!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -164:sc= -0.0232 (180deg=-0.449) 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=-0.089) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 31.797 31.880 2.505 1.00 0.00 N ATOM 2 CA MET A 1 31.443 32.907 3.524 1.00 0.00 C ATOM 3 C MET A 1 32.432 32.830 4.680 1.00 0.00 C ATOM 4 O MET A 1 32.815 31.745 5.111 1.00 0.00 O ATOM 5 CB MET A 1 30.018 32.653 4.031 1.00 0.00 C ATOM 6 CG MET A 1 29.761 33.475 5.300 1.00 0.00 C ATOM 7 SD MET A 1 27.976 33.677 5.543 1.00 0.00 S ATOM 8 CE MET A 1 27.753 32.399 6.806 1.00 0.00 C ATOM 0 H1 MET A 1 31.104 31.907 1.730 1.00 0.00 H new ATOM 0 H2 MET A 1 32.746 32.078 2.128 1.00 0.00 H new ATOM 0 H3 MET A 1 31.789 30.938 2.945 1.00 0.00 H new ATOM 0 HA MET A 1 31.489 33.901 3.079 1.00 0.00 H new ATOM 0 HB2 MET A 1 29.295 32.922 3.261 1.00 0.00 H new ATOM 0 HB3 MET A 1 29.881 31.592 4.240 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.202 32.977 6.164 1.00 0.00 H new ATOM 0 HG3 MET A 1 30.240 34.451 5.216 1.00 0.00 H new ATOM 0 HE1 MET A 1 26.744 31.993 6.739 1.00 0.00 H new ATOM 0 HE2 MET A 1 28.477 31.600 6.647 1.00 0.00 H new ATOM 0 HE3 MET A 1 27.904 32.834 7.794 1.00 0.00 H new ATOM 20 N GLN A 2 32.839 33.993 5.183 1.00 0.00 N ATOM 21 CA GLN A 2 33.787 34.061 6.296 1.00 0.00 C ATOM 22 C GLN A 2 33.143 34.737 7.506 1.00 0.00 C ATOM 23 O GLN A 2 32.225 35.544 7.363 1.00 0.00 O ATOM 24 CB GLN A 2 35.023 34.858 5.869 1.00 0.00 C ATOM 25 CG GLN A 2 34.592 36.215 5.306 1.00 0.00 C ATOM 26 CD GLN A 2 35.818 37.010 4.870 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.593 36.550 4.032 1.00 0.00 O ATOM 28 NE2 GLN A 2 36.043 38.185 5.393 1.00 0.00 N ATOM 0 H GLN A 2 32.528 34.902 4.839 1.00 0.00 H new ATOM 0 HA GLN A 2 34.077 33.047 6.570 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.688 35.001 6.721 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.584 34.303 5.117 1.00 0.00 H new ATOM 0 HG2 GLN A 2 33.922 36.070 4.459 1.00 0.00 H new ATOM 0 HG3 GLN A 2 34.037 36.772 6.061 1.00 0.00 H new ATOM 0 HE21 GLN A 2 35.400 38.566 6.087 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.862 38.722 5.107 1.00 0.00 H new ATOM 37 N ILE A 3 33.652 34.414 8.691 1.00 0.00 N ATOM 38 CA ILE A 3 33.148 35.008 9.926 1.00 0.00 C ATOM 39 C ILE A 3 34.208 34.936 11.010 1.00 0.00 C ATOM 40 O ILE A 3 35.248 34.304 10.837 1.00 0.00 O ATOM 41 CB ILE A 3 31.861 34.318 10.408 1.00 0.00 C ATOM 42 CG1 ILE A 3 32.082 32.793 10.501 1.00 0.00 C ATOM 43 CG2 ILE A 3 30.709 34.643 9.444 1.00 0.00 C ATOM 44 CD1 ILE A 3 30.738 32.059 10.454 1.00 0.00 C ATOM 0 H ILE A 3 34.411 33.746 8.823 1.00 0.00 H new ATOM 0 HA ILE A 3 32.909 36.051 9.716 1.00 0.00 H new ATOM 0 HB ILE A 3 31.601 34.687 11.400 1.00 0.00 H new ATOM 0 HG12 ILE A 3 32.716 32.459 9.679 1.00 0.00 H new ATOM 0 HG13 ILE A 3 32.605 32.550 11.426 1.00 0.00 H new ATOM 0 HG21 ILE A 3 29.798 34.153 9.787 1.00 0.00 H new ATOM 0 HG22 ILE A 3 30.552 35.721 9.415 1.00 0.00 H new ATOM 0 HG23 ILE A 3 30.959 34.286 8.445 1.00 0.00 H new ATOM 0 HD11 ILE A 3 30.908 30.984 10.520 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.118 32.381 11.291 1.00 0.00 H new ATOM 0 HD13 ILE A 3 30.230 32.289 9.517 1.00 0.00 H new ATOM 56 N PHE A 4 33.933 35.590 12.132 1.00 0.00 N ATOM 57 CA PHE A 4 34.863 35.611 13.259 1.00 0.00 C ATOM 58 C PHE A 4 34.313 34.799 14.424 1.00 0.00 C ATOM 59 O PHE A 4 33.117 34.843 14.714 1.00 0.00 O ATOM 60 CB PHE A 4 35.076 37.053 13.716 1.00 0.00 C ATOM 61 CG PHE A 4 35.689 37.861 12.598 1.00 0.00 C ATOM 62 CD1 PHE A 4 34.865 38.553 11.702 1.00 0.00 C ATOM 63 CD2 PHE A 4 37.081 37.926 12.462 1.00 0.00 C ATOM 64 CE1 PHE A 4 35.433 39.311 10.671 1.00 0.00 C ATOM 65 CE2 PHE A 4 37.649 38.682 11.429 1.00 0.00 C ATOM 66 CZ PHE A 4 36.824 39.375 10.534 1.00 0.00 C ATOM 0 H PHE A 4 33.072 36.114 12.288 1.00 0.00 H new ATOM 0 HA PHE A 4 35.808 35.174 12.936 1.00 0.00 H new ATOM 0 HB2 PHE A 4 34.125 37.493 14.015 1.00 0.00 H new ATOM 0 HB3 PHE A 4 35.726 37.074 14.591 1.00 0.00 H new ATOM 0 HD1 PHE A 4 33.791 38.502 11.806 1.00 0.00 H new ATOM 0 HD2 PHE A 4 37.717 37.393 13.154 1.00 0.00 H new ATOM 0 HE1 PHE A 4 34.797 39.846 9.981 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.723 38.731 11.323 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.262 39.959 9.738 1.00 0.00 H new ATOM 76 N VAL A 5 35.199 34.068 15.102 1.00 0.00 N ATOM 77 CA VAL A 5 34.808 33.258 16.253 1.00 0.00 C ATOM 78 C VAL A 5 35.475 33.809 17.503 1.00 0.00 C ATOM 79 O VAL A 5 36.692 33.991 17.548 1.00 0.00 O ATOM 80 CB VAL A 5 35.214 31.796 16.035 1.00 0.00 C ATOM 81 CG1 VAL A 5 35.083 31.014 17.350 1.00 0.00 C ATOM 82 CG2 VAL A 5 34.283 31.175 14.993 1.00 0.00 C ATOM 0 H VAL A 5 36.192 34.021 14.873 1.00 0.00 H new ATOM 0 HA VAL A 5 33.725 33.299 16.373 1.00 0.00 H new ATOM 0 HB VAL A 5 36.248 31.755 15.693 1.00 0.00 H new ATOM 0 HG11 VAL A 5 35.373 29.976 17.187 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.733 31.458 18.104 1.00 0.00 H new ATOM 0 HG13 VAL A 5 34.050 31.052 17.694 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.563 30.134 14.830 1.00 0.00 H new ATOM 0 HG22 VAL A 5 33.254 31.223 15.350 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.368 31.725 14.056 1.00 0.00 H new ATOM 92 N LYS A 6 34.655 34.094 18.500 1.00 0.00 N ATOM 93 CA LYS A 6 35.134 34.655 19.760 1.00 0.00 C ATOM 94 C LYS A 6 35.051 33.618 20.876 1.00 0.00 C ATOM 95 O LYS A 6 34.008 32.983 21.071 1.00 0.00 O ATOM 96 CB LYS A 6 34.264 35.865 20.115 1.00 0.00 C ATOM 97 CG LYS A 6 35.005 36.779 21.086 1.00 0.00 C ATOM 98 CD LYS A 6 34.067 37.905 21.524 1.00 0.00 C ATOM 99 CE LYS A 6 34.766 38.795 22.552 1.00 0.00 C ATOM 100 NZ LYS A 6 33.800 39.806 23.069 1.00 0.00 N ATOM 0 H LYS A 6 33.646 33.946 18.464 1.00 0.00 H new ATOM 0 HA LYS A 6 36.176 34.956 19.650 1.00 0.00 H new ATOM 0 HB2 LYS A 6 34.007 36.415 19.210 1.00 0.00 H new ATOM 0 HB3 LYS A 6 33.328 35.531 20.561 1.00 0.00 H new ATOM 0 HG2 LYS A 6 35.343 36.212 21.953 1.00 0.00 H new ATOM 0 HG3 LYS A 6 35.894 37.193 20.610 1.00 0.00 H new ATOM 0 HD2 LYS A 6 33.769 38.498 20.660 1.00 0.00 H new ATOM 0 HD3 LYS A 6 33.157 37.486 21.952 1.00 0.00 H new ATOM 0 HE2 LYS A 6 35.150 38.189 23.373 1.00 0.00 H new ATOM 0 HE3 LYS A 6 35.622 39.293 22.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 34.274 40.413 23.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 33.454 40.391 22.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 32.997 39.321 23.518 1.00 0.00 H new ATOM 114 N THR A 7 36.151 33.455 21.620 1.00 0.00 N ATOM 115 CA THR A 7 36.184 32.496 22.729 1.00 0.00 C ATOM 116 C THR A 7 36.184 33.230 24.068 1.00 0.00 C ATOM 117 O THR A 7 36.158 34.460 24.116 1.00 0.00 O ATOM 118 CB THR A 7 37.430 31.612 22.633 1.00 0.00 C ATOM 119 OG1 THR A 7 38.560 32.338 23.093 1.00 0.00 O ATOM 120 CG2 THR A 7 37.649 31.185 21.181 1.00 0.00 C ATOM 0 H THR A 7 37.021 33.968 21.477 1.00 0.00 H new ATOM 0 HA THR A 7 35.294 31.870 22.664 1.00 0.00 H new ATOM 0 HB THR A 7 37.293 30.724 23.250 1.00 0.00 H new ATOM 0 HG1 THR A 7 39.379 31.912 22.763 1.00 0.00 H new ATOM 0 HG21 THR A 7 38.537 30.556 21.117 1.00 0.00 H new ATOM 0 HG22 THR A 7 36.781 30.625 20.832 1.00 0.00 H new ATOM 0 HG23 THR A 7 37.785 32.069 20.558 1.00 0.00 H new ATOM 128 N LEU A 8 36.235 32.474 25.156 1.00 0.00 N ATOM 129 CA LEU A 8 36.249 33.077 26.482 1.00 0.00 C ATOM 130 C LEU A 8 37.583 33.776 26.749 1.00 0.00 C ATOM 131 O LEU A 8 37.649 34.720 27.535 1.00 0.00 O ATOM 132 CB LEU A 8 36.002 32.003 27.550 1.00 0.00 C ATOM 133 CG LEU A 8 35.611 32.669 28.889 1.00 0.00 C ATOM 134 CD1 LEU A 8 34.100 32.933 28.923 1.00 0.00 C ATOM 135 CD2 LEU A 8 35.991 31.749 30.056 1.00 0.00 C ATOM 0 H LEU A 8 36.267 31.455 25.149 1.00 0.00 H new ATOM 0 HA LEU A 8 35.454 33.821 26.527 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.209 31.330 27.224 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.899 31.398 27.683 1.00 0.00 H new ATOM 0 HG LEU A 8 36.144 33.615 28.981 1.00 0.00 H new ATOM 0 HD11 LEU A 8 33.834 33.402 29.870 1.00 0.00 H new ATOM 0 HD12 LEU A 8 33.828 33.595 28.101 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.563 31.990 28.822 1.00 0.00 H new ATOM 0 HD21 LEU A 8 35.714 32.222 30.998 1.00 0.00 H new ATOM 0 HD22 LEU A 8 35.464 30.800 29.958 1.00 0.00 H new ATOM 0 HD23 LEU A 8 37.066 31.570 30.043 1.00 0.00 H new ATOM 147 N THR A 9 38.644 33.313 26.092 1.00 0.00 N ATOM 148 CA THR A 9 39.962 33.915 26.284 1.00 0.00 C ATOM 149 C THR A 9 40.086 35.219 25.499 1.00 0.00 C ATOM 150 O THR A 9 41.169 35.800 25.419 1.00 0.00 O ATOM 151 CB THR A 9 41.061 32.946 25.839 1.00 0.00 C ATOM 152 OG1 THR A 9 40.799 32.505 24.515 1.00 0.00 O ATOM 153 CG2 THR A 9 41.098 31.743 26.782 1.00 0.00 C ATOM 0 H THR A 9 38.620 32.536 25.432 1.00 0.00 H new ATOM 0 HA THR A 9 40.079 34.131 27.346 1.00 0.00 H new ATOM 0 HB THR A 9 42.024 33.456 25.867 1.00 0.00 H new ATOM 0 HG1 THR A 9 39.956 32.894 24.202 1.00 0.00 H new ATOM 0 HG21 THR A 9 41.881 31.055 26.463 1.00 0.00 H new ATOM 0 HG22 THR A 9 41.304 32.083 27.797 1.00 0.00 H new ATOM 0 HG23 THR A 9 40.135 31.233 26.759 1.00 0.00 H new ATOM 161 N GLY A 10 38.973 35.688 24.936 1.00 0.00 N ATOM 162 CA GLY A 10 38.987 36.935 24.180 1.00 0.00 C ATOM 163 C GLY A 10 39.790 36.788 22.895 1.00 0.00 C ATOM 164 O GLY A 10 40.275 37.774 22.339 1.00 0.00 O ATOM 0 H GLY A 10 38.063 35.229 24.989 1.00 0.00 H new ATOM 0 HA2 GLY A 10 37.965 37.231 23.942 1.00 0.00 H new ATOM 0 HA3 GLY A 10 39.415 37.730 24.791 1.00 0.00 H new ATOM 168 N LYS A 11 39.919 35.554 22.419 1.00 0.00 N ATOM 169 CA LYS A 11 40.654 35.289 21.186 1.00 0.00 C ATOM 170 C LYS A 11 39.703 35.367 20.000 1.00 0.00 C ATOM 171 O LYS A 11 38.595 34.827 20.049 1.00 0.00 O ATOM 172 CB LYS A 11 41.289 33.896 21.232 1.00 0.00 C ATOM 173 CG LYS A 11 42.491 33.898 22.182 1.00 0.00 C ATOM 174 CD LYS A 11 43.173 32.526 22.145 1.00 0.00 C ATOM 175 CE LYS A 11 44.450 32.559 22.988 1.00 0.00 C ATOM 176 NZ LYS A 11 44.100 32.823 24.412 1.00 0.00 N ATOM 0 H LYS A 11 39.527 34.725 22.865 1.00 0.00 H new ATOM 0 HA LYS A 11 41.441 36.035 21.081 1.00 0.00 H new ATOM 0 HB2 LYS A 11 40.554 33.163 21.564 1.00 0.00 H new ATOM 0 HB3 LYS A 11 41.606 33.599 20.232 1.00 0.00 H new ATOM 0 HG2 LYS A 11 43.197 34.675 21.890 1.00 0.00 H new ATOM 0 HG3 LYS A 11 42.166 34.127 23.197 1.00 0.00 H new ATOM 0 HD2 LYS A 11 42.495 31.762 22.525 1.00 0.00 H new ATOM 0 HD3 LYS A 11 43.412 32.256 21.116 1.00 0.00 H new ATOM 0 HE2 LYS A 11 44.979 31.610 22.903 1.00 0.00 H new ATOM 0 HE3 LYS A 11 45.122 33.333 22.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 44.940 32.679 25.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 43.769 33.804 24.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 43.347 32.171 24.711 1.00 0.00 H new ATOM 190 N THR A 12 40.140 36.035 18.930 1.00 0.00 N ATOM 191 CA THR A 12 39.322 36.171 17.725 1.00 0.00 C ATOM 192 C THR A 12 40.024 35.503 16.554 1.00 0.00 C ATOM 193 O THR A 12 41.177 35.804 16.250 1.00 0.00 O ATOM 194 CB THR A 12 39.089 37.646 17.396 1.00 0.00 C ATOM 195 OG1 THR A 12 38.437 38.276 18.489 1.00 0.00 O ATOM 196 CG2 THR A 12 38.209 37.752 16.143 1.00 0.00 C ATOM 0 H THR A 12 41.052 36.488 18.874 1.00 0.00 H new ATOM 0 HA THR A 12 38.359 35.692 17.904 1.00 0.00 H new ATOM 0 HB THR A 12 40.045 38.137 17.213 1.00 0.00 H new ATOM 0 HG1 THR A 12 38.289 39.222 18.280 1.00 0.00 H new ATOM 0 HG21 THR A 12 38.040 38.802 15.905 1.00 0.00 H new ATOM 0 HG22 THR A 12 38.709 37.266 15.305 1.00 0.00 H new ATOM 0 HG23 THR A 12 37.252 37.264 16.328 1.00 0.00 H new ATOM 204 N ILE A 13 39.312 34.597 15.901 1.00 0.00 N ATOM 205 CA ILE A 13 39.858 33.878 14.753 1.00 0.00 C ATOM 206 C ILE A 13 38.843 33.847 13.627 1.00 0.00 C ATOM 207 O ILE A 13 37.640 33.736 13.861 1.00 0.00 O ATOM 208 CB ILE A 13 40.241 32.454 15.150 1.00 0.00 C ATOM 209 CG1 ILE A 13 40.913 31.763 13.963 1.00 0.00 C ATOM 210 CG2 ILE A 13 38.988 31.678 15.550 1.00 0.00 C ATOM 211 CD1 ILE A 13 41.424 30.388 14.395 1.00 0.00 C ATOM 0 H ILE A 13 38.355 34.340 16.144 1.00 0.00 H new ATOM 0 HA ILE A 13 40.753 34.398 14.410 1.00 0.00 H new ATOM 0 HB ILE A 13 40.930 32.484 15.994 1.00 0.00 H new ATOM 0 HG12 ILE A 13 40.205 31.658 13.141 1.00 0.00 H new ATOM 0 HG13 ILE A 13 41.740 32.371 13.595 1.00 0.00 H new ATOM 0 HG21 ILE A 13 39.264 30.662 15.833 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.508 32.172 16.395 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.296 31.645 14.708 1.00 0.00 H new ATOM 0 HD11 ILE A 13 41.903 29.895 13.549 1.00 0.00 H new ATOM 0 HD12 ILE A 13 42.146 30.506 15.203 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.587 29.781 14.742 1.00 0.00 H new ATOM 223 N THR A 14 39.336 33.955 12.400 1.00 0.00 N ATOM 224 CA THR A 14 38.460 33.942 11.231 1.00 0.00 C ATOM 225 C THR A 14 38.418 32.551 10.612 1.00 0.00 C ATOM 226 O THR A 14 39.443 31.880 10.484 1.00 0.00 O ATOM 227 CB THR A 14 38.941 34.963 10.200 1.00 0.00 C ATOM 228 OG1 THR A 14 39.243 36.184 10.862 1.00 0.00 O ATOM 229 CG2 THR A 14 37.833 35.202 9.167 1.00 0.00 C ATOM 0 H THR A 14 40.329 34.052 12.187 1.00 0.00 H new ATOM 0 HA THR A 14 37.453 34.211 11.550 1.00 0.00 H new ATOM 0 HB THR A 14 39.832 34.588 9.696 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.416 36.686 11.016 1.00 0.00 H new ATOM 0 HG21 THR A 14 38.173 35.930 8.430 1.00 0.00 H new ATOM 0 HG22 THR A 14 37.594 34.264 8.666 1.00 0.00 H new ATOM 0 HG23 THR A 14 36.943 35.583 9.669 1.00 0.00 H new ATOM 237 N LEU A 15 37.213 32.127 10.246 1.00 0.00 N ATOM 238 CA LEU A 15 36.991 30.808 9.652 1.00 0.00 C ATOM 239 C LEU A 15 36.267 30.954 8.311 1.00 0.00 C ATOM 240 O LEU A 15 35.446 31.854 8.132 1.00 0.00 O ATOM 241 CB LEU A 15 36.134 29.962 10.634 1.00 0.00 C ATOM 242 CG LEU A 15 36.888 28.705 11.100 1.00 0.00 C ATOM 243 CD1 LEU A 15 38.060 29.097 12.010 1.00 0.00 C ATOM 244 CD2 LEU A 15 35.917 27.811 11.876 1.00 0.00 C ATOM 0 H LEU A 15 36.364 32.683 10.351 1.00 0.00 H new ATOM 0 HA LEU A 15 37.946 30.313 9.475 1.00 0.00 H new ATOM 0 HB2 LEU A 15 35.865 30.568 11.499 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.203 29.670 10.148 1.00 0.00 H new ATOM 0 HG LEU A 15 37.280 28.173 10.233 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.586 28.199 12.333 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.747 29.742 11.462 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.681 29.629 12.882 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.438 26.915 12.213 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.533 28.354 12.740 1.00 0.00 H new ATOM 0 HD23 LEU A 15 35.088 27.527 11.228 1.00 0.00 H new ATOM 256 N GLU A 16 36.558 30.042 7.386 1.00 0.00 N ATOM 257 CA GLU A 16 35.910 30.050 6.074 1.00 0.00 C ATOM 258 C GLU A 16 34.894 28.918 6.020 1.00 0.00 C ATOM 259 O GLU A 16 35.239 27.757 6.234 1.00 0.00 O ATOM 260 CB GLU A 16 36.947 29.872 4.956 1.00 0.00 C ATOM 261 CG GLU A 16 36.280 30.082 3.589 1.00 0.00 C ATOM 262 CD GLU A 16 35.434 28.866 3.226 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.691 27.805 3.770 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.536 29.015 2.414 1.00 0.00 O ATOM 0 H GLU A 16 37.235 29.291 7.518 1.00 0.00 H new ATOM 0 HA GLU A 16 35.411 31.008 5.927 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.762 30.584 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.384 28.875 5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.655 30.975 3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 16 37.041 30.246 2.826 1.00 0.00 H new ATOM 271 N VAL A 17 33.638 29.258 5.740 1.00 0.00 N ATOM 272 CA VAL A 17 32.585 28.246 5.679 1.00 0.00 C ATOM 273 C VAL A 17 31.548 28.579 4.610 1.00 0.00 C ATOM 274 O VAL A 17 31.472 29.705 4.121 1.00 0.00 O ATOM 275 CB VAL A 17 31.907 28.103 7.058 1.00 0.00 C ATOM 276 CG1 VAL A 17 32.940 28.314 8.168 1.00 0.00 C ATOM 277 CG2 VAL A 17 30.794 29.143 7.223 1.00 0.00 C ATOM 0 H VAL A 17 33.327 30.211 5.554 1.00 0.00 H new ATOM 0 HA VAL A 17 33.047 27.297 5.407 1.00 0.00 H new ATOM 0 HB VAL A 17 31.480 27.102 7.125 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.456 28.212 9.139 1.00 0.00 H new ATOM 0 HG12 VAL A 17 33.730 27.569 8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.370 29.312 8.080 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.328 29.026 8.202 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.216 30.144 7.140 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.044 29.000 6.445 1.00 0.00 H new ATOM 287 N GLU A 18 30.735 27.580 4.272 1.00 0.00 N ATOM 288 CA GLU A 18 29.675 27.746 3.285 1.00 0.00 C ATOM 289 C GLU A 18 28.347 27.930 4.018 1.00 0.00 C ATOM 290 O GLU A 18 28.183 27.438 5.135 1.00 0.00 O ATOM 291 CB GLU A 18 29.609 26.501 2.388 1.00 0.00 C ATOM 292 CG GLU A 18 30.697 26.577 1.316 1.00 0.00 C ATOM 293 CD GLU A 18 30.745 25.273 0.530 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.696 24.681 0.337 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.831 24.884 0.132 1.00 0.00 O ATOM 0 H GLU A 18 30.793 26.643 4.671 1.00 0.00 H new ATOM 0 HA GLU A 18 29.876 28.619 2.663 1.00 0.00 H new ATOM 0 HB2 GLU A 18 29.740 25.601 2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 18 28.628 26.431 1.919 1.00 0.00 H new ATOM 0 HG2 GLU A 18 30.498 27.410 0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.664 26.767 1.781 1.00 0.00 H new ATOM 302 N PRO A 19 27.402 28.617 3.432 1.00 0.00 N ATOM 303 CA PRO A 19 26.079 28.850 4.081 1.00 0.00 C ATOM 304 C PRO A 19 25.309 27.546 4.265 1.00 0.00 C ATOM 305 O PRO A 19 24.336 27.488 5.019 1.00 0.00 O ATOM 306 CB PRO A 19 25.357 29.798 3.106 1.00 0.00 C ATOM 307 CG PRO A 19 26.011 29.556 1.785 1.00 0.00 C ATOM 308 CD PRO A 19 27.472 29.242 2.100 1.00 0.00 C ATOM 0 HA PRO A 19 26.171 29.268 5.083 1.00 0.00 H new ATOM 0 HB2 PRO A 19 24.289 29.584 3.064 1.00 0.00 H new ATOM 0 HB3 PRO A 19 25.462 30.838 3.415 1.00 0.00 H new ATOM 0 HG2 PRO A 19 25.537 28.727 1.259 1.00 0.00 H new ATOM 0 HG3 PRO A 19 25.929 30.431 1.141 1.00 0.00 H new ATOM 0 HD2 PRO A 19 27.907 28.569 1.362 1.00 0.00 H new ATOM 0 HD3 PRO A 19 28.085 30.144 2.110 1.00 0.00 H new ATOM 316 N SER A 20 25.742 26.501 3.558 1.00 0.00 N ATOM 317 CA SER A 20 25.082 25.198 3.628 1.00 0.00 C ATOM 318 C SER A 20 25.867 24.221 4.501 1.00 0.00 C ATOM 319 O SER A 20 25.534 23.038 4.565 1.00 0.00 O ATOM 320 CB SER A 20 24.955 24.622 2.217 1.00 0.00 C ATOM 321 OG SER A 20 26.241 24.235 1.750 1.00 0.00 O ATOM 0 H SER A 20 26.546 26.532 2.931 1.00 0.00 H new ATOM 0 HA SER A 20 24.097 25.338 4.073 1.00 0.00 H new ATOM 0 HB2 SER A 20 24.283 23.763 2.221 1.00 0.00 H new ATOM 0 HB3 SER A 20 24.520 25.363 1.547 1.00 0.00 H new ATOM 0 HG SER A 20 26.163 23.864 0.846 1.00 0.00 H new ATOM 327 N ASP A 21 26.904 24.710 5.177 1.00 0.00 N ATOM 328 CA ASP A 21 27.703 23.857 6.040 1.00 0.00 C ATOM 329 C ASP A 21 26.876 23.394 7.233 1.00 0.00 C ATOM 330 O ASP A 21 26.025 24.129 7.733 1.00 0.00 O ATOM 331 CB ASP A 21 28.941 24.635 6.518 1.00 0.00 C ATOM 332 CG ASP A 21 30.038 24.615 5.453 1.00 0.00 C ATOM 333 OD1 ASP A 21 29.899 23.871 4.494 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.008 25.337 5.620 1.00 0.00 O ATOM 0 H ASP A 21 27.205 25.684 5.142 1.00 0.00 H new ATOM 0 HA ASP A 21 28.024 22.977 5.483 1.00 0.00 H new ATOM 0 HB2 ASP A 21 28.665 25.665 6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.317 24.197 7.443 1.00 0.00 H new ATOM 339 N THR A 22 27.136 22.171 7.691 1.00 0.00 N ATOM 340 CA THR A 22 26.414 21.622 8.834 1.00 0.00 C ATOM 341 C THR A 22 27.130 21.992 10.123 1.00 0.00 C ATOM 342 O THR A 22 28.354 22.112 10.145 1.00 0.00 O ATOM 343 CB THR A 22 26.316 20.099 8.722 1.00 0.00 C ATOM 344 OG1 THR A 22 27.619 19.553 8.585 1.00 0.00 O ATOM 345 CG2 THR A 22 25.469 19.723 7.504 1.00 0.00 C ATOM 0 H THR A 22 27.836 21.546 7.291 1.00 0.00 H new ATOM 0 HA THR A 22 25.408 22.041 8.844 1.00 0.00 H new ATOM 0 HB THR A 22 25.846 19.699 9.620 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.559 18.577 8.515 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.402 18.638 7.428 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.469 20.142 7.613 1.00 0.00 H new ATOM 0 HG23 THR A 22 25.932 20.122 6.602 1.00 0.00 H new ATOM 353 N ILE A 23 26.366 22.168 11.189 1.00 0.00 N ATOM 354 CA ILE A 23 26.961 22.522 12.470 1.00 0.00 C ATOM 355 C ILE A 23 28.094 21.557 12.796 1.00 0.00 C ATOM 356 O ILE A 23 28.999 21.876 13.566 1.00 0.00 O ATOM 357 CB ILE A 23 25.908 22.474 13.578 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.646 23.221 13.128 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.463 23.129 14.843 1.00 0.00 C ATOM 360 CD1 ILE A 23 25.010 24.624 12.626 1.00 0.00 C ATOM 0 H ILE A 23 25.350 22.074 11.196 1.00 0.00 H new ATOM 0 HA ILE A 23 27.356 23.536 12.404 1.00 0.00 H new ATOM 0 HB ILE A 23 25.657 21.434 13.787 1.00 0.00 H new ATOM 0 HG12 ILE A 23 24.147 22.662 12.336 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.943 23.295 13.958 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.711 23.094 15.631 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.355 22.594 15.168 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.719 24.167 14.633 1.00 0.00 H new ATOM 0 HD11 ILE A 23 24.105 25.143 12.310 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.489 25.185 13.429 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.695 24.542 11.782 1.00 0.00 H new ATOM 372 N GLU A 24 28.051 20.382 12.179 1.00 0.00 N ATOM 373 CA GLU A 24 29.086 19.380 12.393 1.00 0.00 C ATOM 374 C GLU A 24 30.357 19.764 11.638 1.00 0.00 C ATOM 375 O GLU A 24 31.427 19.903 12.229 1.00 0.00 O ATOM 376 CB GLU A 24 28.586 18.013 11.917 1.00 0.00 C ATOM 377 CG GLU A 24 27.429 17.553 12.808 1.00 0.00 C ATOM 378 CD GLU A 24 26.737 16.345 12.185 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.057 16.021 11.053 1.00 0.00 O ATOM 380 OE2 GLU A 24 25.895 15.762 12.849 1.00 0.00 O ATOM 0 H GLU A 24 27.315 20.102 11.531 1.00 0.00 H new ATOM 0 HA GLU A 24 29.315 19.328 13.457 1.00 0.00 H new ATOM 0 HB2 GLU A 24 28.257 18.075 10.880 1.00 0.00 H new ATOM 0 HB3 GLU A 24 29.397 17.285 11.951 1.00 0.00 H new ATOM 0 HG2 GLU A 24 27.803 17.297 13.799 1.00 0.00 H new ATOM 0 HG3 GLU A 24 26.714 18.365 12.937 1.00 0.00 H new ATOM 387 N ASN A 25 30.227 19.934 10.328 1.00 0.00 N ATOM 388 CA ASN A 25 31.365 20.305 9.496 1.00 0.00 C ATOM 389 C ASN A 25 32.048 21.557 10.042 1.00 0.00 C ATOM 390 O ASN A 25 33.276 21.644 10.076 1.00 0.00 O ATOM 391 CB ASN A 25 30.888 20.566 8.067 1.00 0.00 C ATOM 392 CG ASN A 25 32.045 21.051 7.202 1.00 0.00 C ATOM 393 OD1 ASN A 25 31.808 21.878 6.220 1.00 0.00 O flip ATOM 394 ND2 ASN A 25 33.194 20.669 7.425 1.00 0.00 N flip ATOM 0 H ASN A 25 29.349 19.822 9.821 1.00 0.00 H new ATOM 0 HA ASN A 25 32.084 19.485 9.503 1.00 0.00 H new ATOM 0 HB2 ASN A 25 30.467 19.653 7.645 1.00 0.00 H new ATOM 0 HB3 ASN A 25 30.092 21.311 8.073 1.00 0.00 H new ATOM 0 HD21 ASN A 25 33.377 20.023 8.193 1.00 0.00 H new ATOM 0 HD22 ASN A 25 33.963 20.999 6.842 1.00 0.00 H new ATOM 401 N VAL A 26 31.247 22.530 10.465 1.00 0.00 N ATOM 402 CA VAL A 26 31.800 23.770 10.999 1.00 0.00 C ATOM 403 C VAL A 26 32.566 23.500 12.293 1.00 0.00 C ATOM 404 O VAL A 26 33.639 24.058 12.518 1.00 0.00 O ATOM 405 CB VAL A 26 30.685 24.791 11.243 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.297 26.101 11.732 1.00 0.00 C ATOM 407 CG2 VAL A 26 29.932 25.047 9.935 1.00 0.00 C ATOM 0 H VAL A 26 30.228 22.486 10.449 1.00 0.00 H new ATOM 0 HA VAL A 26 32.493 24.182 10.266 1.00 0.00 H new ATOM 0 HB VAL A 26 29.996 24.403 11.993 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.505 26.830 11.906 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.839 25.925 12.661 1.00 0.00 H new ATOM 0 HG13 VAL A 26 31.984 26.485 10.978 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.138 25.774 10.108 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.623 25.436 9.187 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.498 24.114 9.577 1.00 0.00 H new ATOM 417 N LYS A 27 32.025 22.625 13.132 1.00 0.00 N ATOM 418 CA LYS A 27 32.693 22.284 14.380 1.00 0.00 C ATOM 419 C LYS A 27 34.030 21.643 14.057 1.00 0.00 C ATOM 420 O LYS A 27 35.027 21.859 14.744 1.00 0.00 O ATOM 421 CB LYS A 27 31.825 21.318 15.200 1.00 0.00 C ATOM 422 CG LYS A 27 30.744 22.104 15.949 1.00 0.00 C ATOM 423 CD LYS A 27 29.676 21.141 16.480 1.00 0.00 C ATOM 424 CE LYS A 27 28.851 21.838 17.565 1.00 0.00 C ATOM 425 NZ LYS A 27 27.673 20.993 17.912 1.00 0.00 N ATOM 0 H LYS A 27 31.139 22.145 12.974 1.00 0.00 H new ATOM 0 HA LYS A 27 32.851 23.186 14.972 1.00 0.00 H new ATOM 0 HB2 LYS A 27 31.363 20.582 14.542 1.00 0.00 H new ATOM 0 HB3 LYS A 27 32.445 20.768 15.908 1.00 0.00 H new ATOM 0 HG2 LYS A 27 31.190 22.658 16.775 1.00 0.00 H new ATOM 0 HG3 LYS A 27 30.288 22.837 15.284 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.027 20.818 15.667 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.148 20.246 16.886 1.00 0.00 H new ATOM 0 HE2 LYS A 27 29.464 22.008 18.450 1.00 0.00 H new ATOM 0 HE3 LYS A 27 28.520 22.816 17.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.985 21.560 18.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 27.228 20.642 17.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.983 20.187 18.491 1.00 0.00 H new ATOM 439 N ALA A 28 34.034 20.851 12.995 1.00 0.00 N ATOM 440 CA ALA A 28 35.238 20.174 12.556 1.00 0.00 C ATOM 441 C ALA A 28 36.315 21.198 12.197 1.00 0.00 C ATOM 442 O ALA A 28 37.498 20.985 12.458 1.00 0.00 O ATOM 443 CB ALA A 28 34.901 19.308 11.341 1.00 0.00 C ATOM 0 H ALA A 28 33.212 20.663 12.421 1.00 0.00 H new ATOM 0 HA ALA A 28 35.621 19.543 13.358 1.00 0.00 H new ATOM 0 HB1 ALA A 28 35.799 18.793 11.001 1.00 0.00 H new ATOM 0 HB2 ALA A 28 34.144 18.574 11.616 1.00 0.00 H new ATOM 0 HB3 ALA A 28 34.519 19.939 10.539 1.00 0.00 H new ATOM 449 N LYS A 29 35.886 22.310 11.604 1.00 0.00 N ATOM 450 CA LYS A 29 36.819 23.369 11.224 1.00 0.00 C ATOM 451 C LYS A 29 37.446 23.972 12.475 1.00 0.00 C ATOM 452 O LYS A 29 38.637 24.280 12.505 1.00 0.00 O ATOM 453 CB LYS A 29 36.098 24.477 10.441 1.00 0.00 C ATOM 454 CG LYS A 29 35.631 23.950 9.081 1.00 0.00 C ATOM 455 CD LYS A 29 34.974 25.089 8.289 1.00 0.00 C ATOM 456 CE LYS A 29 34.618 24.595 6.886 1.00 0.00 C ATOM 457 NZ LYS A 29 33.604 23.508 6.986 1.00 0.00 N ATOM 0 H LYS A 29 34.910 22.501 11.378 1.00 0.00 H new ATOM 0 HA LYS A 29 37.591 22.934 10.590 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.242 24.837 11.012 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.767 25.326 10.299 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.478 23.547 8.525 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.923 23.133 9.219 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.077 25.434 8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.652 25.940 8.225 1.00 0.00 H new ATOM 0 HE2 LYS A 29 34.227 25.418 6.287 1.00 0.00 H new ATOM 0 HE3 LYS A 29 35.511 24.229 6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 33.743 22.831 6.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 33.711 23.016 7.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 32.650 23.917 6.923 1.00 0.00 H new ATOM 471 N ILE A 30 36.628 24.124 13.509 1.00 0.00 N ATOM 472 CA ILE A 30 37.089 24.680 14.765 1.00 0.00 C ATOM 473 C ILE A 30 38.040 23.710 15.460 1.00 0.00 C ATOM 474 O ILE A 30 39.097 24.108 15.943 1.00 0.00 O ATOM 475 CB ILE A 30 35.881 24.980 15.657 1.00 0.00 C ATOM 476 CG1 ILE A 30 35.089 26.144 15.051 1.00 0.00 C ATOM 477 CG2 ILE A 30 36.357 25.363 17.058 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.747 26.293 15.774 1.00 0.00 C ATOM 0 H ILE A 30 35.641 23.868 13.498 1.00 0.00 H new ATOM 0 HA ILE A 30 37.632 25.605 14.573 1.00 0.00 H new ATOM 0 HB ILE A 30 35.247 24.096 15.724 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.662 27.068 15.135 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.922 25.968 13.988 1.00 0.00 H new ATOM 0 HG21 ILE A 30 35.495 25.576 17.690 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.926 24.538 17.487 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.990 26.248 16.998 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.189 27.122 15.338 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.172 25.373 15.667 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.923 26.490 16.831 1.00 0.00 H new ATOM 490 N GLN A 31 37.657 22.440 15.510 1.00 0.00 N ATOM 491 CA GLN A 31 38.489 21.432 16.156 1.00 0.00 C ATOM 492 C GLN A 31 39.839 21.318 15.456 1.00 0.00 C ATOM 493 O GLN A 31 40.883 21.308 16.099 1.00 0.00 O ATOM 494 CB GLN A 31 37.792 20.069 16.122 1.00 0.00 C ATOM 495 CG GLN A 31 38.609 19.055 16.932 1.00 0.00 C ATOM 496 CD GLN A 31 37.957 17.679 16.866 1.00 0.00 C ATOM 497 OE1 GLN A 31 37.576 17.121 17.894 1.00 0.00 O ATOM 498 NE2 GLN A 31 37.809 17.092 15.709 1.00 0.00 N ATOM 0 H GLN A 31 36.785 22.086 15.116 1.00 0.00 H new ATOM 0 HA GLN A 31 38.646 21.738 17.190 1.00 0.00 H new ATOM 0 HB2 GLN A 31 36.786 20.153 16.533 1.00 0.00 H new ATOM 0 HB3 GLN A 31 37.688 19.728 15.092 1.00 0.00 H new ATOM 0 HG2 GLN A 31 39.626 19.002 16.543 1.00 0.00 H new ATOM 0 HG3 GLN A 31 38.681 19.381 17.969 1.00 0.00 H new ATOM 0 HE21 GLN A 31 38.125 17.556 14.858 1.00 0.00 H new ATOM 0 HE22 GLN A 31 37.377 16.170 15.657 1.00 0.00 H new ATOM 507 N ASP A 32 39.805 21.208 14.139 1.00 0.00 N ATOM 508 CA ASP A 32 41.029 21.064 13.362 1.00 0.00 C ATOM 509 C ASP A 32 41.981 22.241 13.577 1.00 0.00 C ATOM 510 O ASP A 32 43.197 22.059 13.602 1.00 0.00 O ATOM 511 CB ASP A 32 40.687 20.943 11.875 1.00 0.00 C ATOM 512 CG ASP A 32 41.895 20.425 11.102 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.794 21.210 10.850 1.00 0.00 O ATOM 514 OD2 ASP A 32 41.904 19.250 10.774 1.00 0.00 O ATOM 0 H ASP A 32 38.948 21.215 13.585 1.00 0.00 H new ATOM 0 HA ASP A 32 41.534 20.160 13.703 1.00 0.00 H new ATOM 0 HB2 ASP A 32 39.842 20.267 11.742 1.00 0.00 H new ATOM 0 HB3 ASP A 32 40.383 21.914 11.483 1.00 0.00 H new ATOM 519 N LYS A 33 41.437 23.450 13.702 1.00 0.00 N ATOM 520 CA LYS A 33 42.276 24.639 13.878 1.00 0.00 C ATOM 521 C LYS A 33 42.665 24.894 15.337 1.00 0.00 C ATOM 522 O LYS A 33 43.797 25.291 15.610 1.00 0.00 O ATOM 523 CB LYS A 33 41.546 25.870 13.332 1.00 0.00 C ATOM 524 CG LYS A 33 41.249 25.678 11.832 1.00 0.00 C ATOM 525 CD LYS A 33 42.434 26.183 11.002 1.00 0.00 C ATOM 526 CE LYS A 33 42.289 25.705 9.559 1.00 0.00 C ATOM 527 NZ LYS A 33 40.972 26.144 9.019 1.00 0.00 N ATOM 0 H LYS A 33 40.434 23.634 13.685 1.00 0.00 H new ATOM 0 HA LYS A 33 43.198 24.455 13.326 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.616 26.025 13.879 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.156 26.761 13.480 1.00 0.00 H new ATOM 0 HG2 LYS A 33 41.066 24.625 11.620 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.344 26.220 11.558 1.00 0.00 H new ATOM 0 HD2 LYS A 33 42.475 27.272 11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 33 43.370 25.817 11.425 1.00 0.00 H new ATOM 0 HE2 LYS A 33 43.097 26.108 8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 33 42.368 24.619 9.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 41.001 26.129 7.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 40.227 25.500 9.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 40.767 27.110 9.346 1.00 0.00 H new ATOM 541 N GLU A 34 41.729 24.705 16.269 1.00 0.00 N ATOM 542 CA GLU A 34 42.011 24.968 17.692 1.00 0.00 C ATOM 543 C GLU A 34 42.213 23.684 18.498 1.00 0.00 C ATOM 544 O GLU A 34 42.578 23.740 19.673 1.00 0.00 O ATOM 545 CB GLU A 34 40.862 25.775 18.305 1.00 0.00 C ATOM 546 CG GLU A 34 40.685 27.085 17.532 1.00 0.00 C ATOM 547 CD GLU A 34 39.675 27.980 18.243 1.00 0.00 C ATOM 548 OE1 GLU A 34 40.024 28.529 19.276 1.00 0.00 O ATOM 549 OE2 GLU A 34 38.569 28.107 17.743 1.00 0.00 O ATOM 0 H GLU A 34 40.783 24.377 16.075 1.00 0.00 H new ATOM 0 HA GLU A 34 42.942 25.533 17.736 1.00 0.00 H new ATOM 0 HB2 GLU A 34 39.940 25.195 18.274 1.00 0.00 H new ATOM 0 HB3 GLU A 34 41.071 25.985 19.354 1.00 0.00 H new ATOM 0 HG2 GLU A 34 41.642 27.599 17.448 1.00 0.00 H new ATOM 0 HG3 GLU A 34 40.346 26.875 16.518 1.00 0.00 H new ATOM 556 N GLY A 35 42.007 22.532 17.869 1.00 0.00 N ATOM 557 CA GLY A 35 42.204 21.253 18.554 1.00 0.00 C ATOM 558 C GLY A 35 41.166 21.008 19.653 1.00 0.00 C ATOM 559 O GLY A 35 41.275 20.038 20.403 1.00 0.00 O ATOM 0 H GLY A 35 41.707 22.454 16.897 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.155 20.444 17.826 1.00 0.00 H new ATOM 0 HA3 GLY A 35 43.203 21.229 18.990 1.00 0.00 H new ATOM 563 N ILE A 36 40.160 21.879 19.749 1.00 0.00 N ATOM 564 CA ILE A 36 39.120 21.728 20.763 1.00 0.00 C ATOM 565 C ILE A 36 37.996 20.809 20.248 1.00 0.00 C ATOM 566 O ILE A 36 37.481 21.033 19.153 1.00 0.00 O ATOM 567 CB ILE A 36 38.544 23.105 21.093 1.00 0.00 C ATOM 568 CG1 ILE A 36 39.681 24.042 21.511 1.00 0.00 C ATOM 569 CG2 ILE A 36 37.550 22.974 22.241 1.00 0.00 C ATOM 570 CD1 ILE A 36 39.143 25.466 21.688 1.00 0.00 C ATOM 0 H ILE A 36 40.045 22.690 19.141 1.00 0.00 H new ATOM 0 HA ILE A 36 39.554 21.280 21.657 1.00 0.00 H new ATOM 0 HB ILE A 36 38.039 23.511 20.216 1.00 0.00 H new ATOM 0 HG12 ILE A 36 40.127 23.694 22.443 1.00 0.00 H new ATOM 0 HG13 ILE A 36 40.468 24.032 20.757 1.00 0.00 H new ATOM 0 HG21 ILE A 36 37.137 23.954 22.479 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.743 22.302 21.949 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.058 22.572 23.118 1.00 0.00 H new ATOM 0 HD11 ILE A 36 39.956 26.128 21.985 1.00 0.00 H new ATOM 0 HD12 ILE A 36 38.718 25.814 20.747 1.00 0.00 H new ATOM 0 HD13 ILE A 36 38.372 25.470 22.458 1.00 0.00 H new ATOM 582 N PRO A 37 37.596 19.791 20.992 1.00 0.00 N ATOM 583 CA PRO A 37 36.508 18.865 20.545 1.00 0.00 C ATOM 584 C PRO A 37 35.119 19.502 20.683 1.00 0.00 C ATOM 585 O PRO A 37 34.925 20.406 21.494 1.00 0.00 O ATOM 586 CB PRO A 37 36.666 17.654 21.476 1.00 0.00 C ATOM 587 CG PRO A 37 37.244 18.214 22.737 1.00 0.00 C ATOM 588 CD PRO A 37 38.119 19.405 22.321 1.00 0.00 C ATOM 0 HA PRO A 37 36.588 18.605 19.490 1.00 0.00 H new ATOM 0 HB2 PRO A 37 35.707 17.170 21.661 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.324 16.902 21.039 1.00 0.00 H new ATOM 0 HG2 PRO A 37 36.455 18.531 23.419 1.00 0.00 H new ATOM 0 HG3 PRO A 37 37.835 17.462 23.261 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.040 20.226 23.034 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.172 19.127 22.270 1.00 0.00 H new ATOM 596 N PRO A 38 34.154 19.048 19.918 1.00 0.00 N ATOM 597 CA PRO A 38 32.761 19.589 19.962 1.00 0.00 C ATOM 598 C PRO A 38 32.044 19.229 21.260 1.00 0.00 C ATOM 599 O PRO A 38 30.970 19.753 21.553 1.00 0.00 O ATOM 600 CB PRO A 38 32.083 18.942 18.751 1.00 0.00 C ATOM 601 CG PRO A 38 32.813 17.660 18.573 1.00 0.00 C ATOM 602 CD PRO A 38 34.269 17.967 18.920 1.00 0.00 C ATOM 0 HA PRO A 38 32.741 20.678 19.930 1.00 0.00 H new ATOM 0 HB2 PRO A 38 31.021 18.775 18.930 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.162 19.572 17.865 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.409 16.885 19.225 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.722 17.295 17.550 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.779 17.094 19.328 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.834 18.286 18.044 1.00 0.00 H new ATOM 610 N ASP A 39 32.629 18.312 22.022 1.00 0.00 N ATOM 611 CA ASP A 39 32.020 17.875 23.272 1.00 0.00 C ATOM 612 C ASP A 39 32.382 18.810 24.417 1.00 0.00 C ATOM 613 O ASP A 39 31.727 18.804 25.458 1.00 0.00 O ATOM 614 CB ASP A 39 32.482 16.456 23.608 1.00 0.00 C ATOM 615 CG ASP A 39 31.942 15.473 22.574 1.00 0.00 C ATOM 616 OD1 ASP A 39 32.405 15.516 21.446 1.00 0.00 O ATOM 617 OD2 ASP A 39 31.077 14.688 22.926 1.00 0.00 O ATOM 0 H ASP A 39 33.516 17.860 21.799 1.00 0.00 H new ATOM 0 HA ASP A 39 30.938 17.890 23.143 1.00 0.00 H new ATOM 0 HB2 ASP A 39 33.571 16.414 23.628 1.00 0.00 H new ATOM 0 HB3 ASP A 39 32.134 16.178 24.603 1.00 0.00 H new ATOM 622 N GLN A 40 33.436 19.608 24.234 1.00 0.00 N ATOM 623 CA GLN A 40 33.883 20.536 25.270 1.00 0.00 C ATOM 624 C GLN A 40 33.361 21.946 25.009 1.00 0.00 C ATOM 625 O GLN A 40 33.468 22.820 25.870 1.00 0.00 O ATOM 626 CB GLN A 40 35.418 20.572 25.296 1.00 0.00 C ATOM 627 CG GLN A 40 35.954 19.322 25.998 1.00 0.00 C ATOM 628 CD GLN A 40 37.474 19.269 25.878 1.00 0.00 C ATOM 629 OE1 GLN A 40 38.124 20.324 25.466 1.00 0.00 O flip ATOM 630 NE2 GLN A 40 38.085 18.241 26.167 1.00 0.00 N flip ATOM 0 H GLN A 40 33.993 19.629 23.380 1.00 0.00 H new ATOM 0 HA GLN A 40 33.493 20.190 26.227 1.00 0.00 H new ATOM 0 HB2 GLN A 40 35.807 20.624 24.279 1.00 0.00 H new ATOM 0 HB3 GLN A 40 35.761 21.467 25.815 1.00 0.00 H new ATOM 0 HG2 GLN A 40 35.664 19.332 27.049 1.00 0.00 H new ATOM 0 HG3 GLN A 40 35.514 18.429 25.554 1.00 0.00 H new ATOM 0 HE21 GLN A 40 37.575 17.418 26.489 1.00 0.00 H new ATOM 0 HE22 GLN A 40 39.101 18.212 26.085 1.00 0.00 H new ATOM 639 N GLN A 41 32.829 22.175 23.809 1.00 0.00 N ATOM 640 CA GLN A 41 32.331 23.503 23.439 1.00 0.00 C ATOM 641 C GLN A 41 30.929 23.439 22.844 1.00 0.00 C ATOM 642 O GLN A 41 30.502 22.413 22.314 1.00 0.00 O ATOM 643 CB GLN A 41 33.281 24.130 22.414 1.00 0.00 C ATOM 644 CG GLN A 41 33.301 23.276 21.139 1.00 0.00 C ATOM 645 CD GLN A 41 32.120 23.644 20.243 1.00 0.00 C ATOM 646 OE1 GLN A 41 31.403 24.604 20.520 1.00 0.00 O ATOM 647 NE2 GLN A 41 31.873 22.936 19.179 1.00 0.00 N ATOM 0 H GLN A 41 32.731 21.467 23.081 1.00 0.00 H new ATOM 0 HA GLN A 41 32.286 24.108 24.345 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.960 25.145 22.179 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.285 24.202 22.831 1.00 0.00 H new ATOM 0 HG2 GLN A 41 34.237 23.431 20.602 1.00 0.00 H new ATOM 0 HG3 GLN A 41 33.255 22.219 21.399 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.466 22.139 18.947 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.086 23.178 18.577 1.00 0.00 H new ATOM 656 N ARG A 42 30.240 24.572 22.918 1.00 0.00 N ATOM 657 CA ARG A 42 28.892 24.718 22.375 1.00 0.00 C ATOM 658 C ARG A 42 28.830 26.008 21.563 1.00 0.00 C ATOM 659 O ARG A 42 29.411 27.019 21.960 1.00 0.00 O ATOM 660 CB ARG A 42 27.862 24.758 23.512 1.00 0.00 C ATOM 661 CG ARG A 42 27.791 23.386 24.216 1.00 0.00 C ATOM 662 CD ARG A 42 26.823 22.454 23.472 1.00 0.00 C ATOM 663 NE ARG A 42 26.639 21.211 24.215 1.00 0.00 N ATOM 664 CZ ARG A 42 26.148 20.124 23.626 1.00 0.00 C ATOM 665 NH1 ARG A 42 25.983 19.025 24.313 1.00 0.00 N ATOM 666 NH2 ARG A 42 25.832 20.152 22.360 1.00 0.00 N ATOM 0 H ARG A 42 30.601 25.419 23.358 1.00 0.00 H new ATOM 0 HA ARG A 42 28.659 23.867 21.735 1.00 0.00 H new ATOM 0 HB2 ARG A 42 28.134 25.530 24.232 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.882 25.022 23.115 1.00 0.00 H new ATOM 0 HG2 ARG A 42 28.783 22.937 24.252 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.462 23.515 25.247 1.00 0.00 H new ATOM 0 HD2 ARG A 42 25.862 22.950 23.338 1.00 0.00 H new ATOM 0 HD3 ARG A 42 27.211 22.236 22.477 1.00 0.00 H new ATOM 0 HE ARG A 42 26.891 21.175 25.203 1.00 0.00 H new ATOM 0 HH11 ARG A 42 26.231 19.000 25.302 1.00 0.00 H new ATOM 0 HH12 ARG A 42 25.606 18.192 23.860 1.00 0.00 H new ATOM 0 HH21 ARG A 42 25.961 21.008 21.821 1.00 0.00 H new ATOM 0 HH22 ARG A 42 25.456 19.318 21.910 1.00 0.00 H new ATOM 680 N LEU A 43 28.132 25.985 20.425 1.00 0.00 N ATOM 681 CA LEU A 43 28.020 27.179 19.576 1.00 0.00 C ATOM 682 C LEU A 43 26.641 27.821 19.718 1.00 0.00 C ATOM 683 O LEU A 43 25.616 27.152 19.565 1.00 0.00 O ATOM 684 CB LEU A 43 28.251 26.789 18.112 1.00 0.00 C ATOM 685 CG LEU A 43 29.551 25.985 17.981 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.755 25.587 16.517 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.741 26.836 18.448 1.00 0.00 C ATOM 0 H LEU A 43 27.640 25.164 20.071 1.00 0.00 H new ATOM 0 HA LEU A 43 28.773 27.900 19.893 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.410 26.198 17.748 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.304 27.684 17.493 1.00 0.00 H new ATOM 0 HG LEU A 43 29.485 25.091 18.601 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.678 25.015 16.421 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.914 24.977 16.185 1.00 0.00 H new ATOM 0 HD13 LEU A 43 29.818 26.484 15.901 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.661 26.259 18.352 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.810 27.733 17.833 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.598 27.120 19.490 1.00 0.00 H new ATOM 699 N ILE A 44 26.618 29.126 20.025 1.00 0.00 N ATOM 700 CA ILE A 44 25.356 29.857 20.201 1.00 0.00 C ATOM 701 C ILE A 44 25.334 31.138 19.358 1.00 0.00 C ATOM 702 O ILE A 44 26.347 31.834 19.215 1.00 0.00 O ATOM 703 CB ILE A 44 25.165 30.210 21.680 1.00 0.00 C ATOM 704 CG1 ILE A 44 25.404 28.952 22.529 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.738 30.730 21.903 1.00 0.00 C ATOM 706 CD1 ILE A 44 24.919 29.180 23.964 1.00 0.00 C ATOM 0 H ILE A 44 27.455 29.694 20.156 1.00 0.00 H new ATOM 0 HA ILE A 44 24.541 29.215 19.867 1.00 0.00 H new ATOM 0 HB ILE A 44 25.874 30.985 21.972 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.878 28.104 22.091 1.00 0.00 H new ATOM 0 HG13 ILE A 44 26.465 28.703 22.532 1.00 0.00 H new ATOM 0 HG21 ILE A 44 23.602 30.981 22.955 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.575 31.619 21.294 1.00 0.00 H new ATOM 0 HG23 ILE A 44 23.021 29.960 21.619 1.00 0.00 H new ATOM 0 HD11 ILE A 44 25.094 28.281 24.555 1.00 0.00 H new ATOM 0 HD12 ILE A 44 25.464 30.015 24.404 1.00 0.00 H new ATOM 0 HD13 ILE A 44 23.853 29.407 23.956 1.00 0.00 H new ATOM 718 N PHE A 45 24.150 31.437 18.820 1.00 0.00 N ATOM 719 CA PHE A 45 23.933 32.628 17.997 1.00 0.00 C ATOM 720 C PHE A 45 22.505 33.118 18.210 1.00 0.00 C ATOM 721 O PHE A 45 21.585 32.309 18.313 1.00 0.00 O ATOM 722 CB PHE A 45 24.139 32.294 16.517 1.00 0.00 C ATOM 723 CG PHE A 45 23.998 33.545 15.678 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.086 34.413 15.524 1.00 0.00 C ATOM 725 CD2 PHE A 45 22.779 33.834 15.048 1.00 0.00 C ATOM 726 CE1 PHE A 45 24.957 35.566 14.738 1.00 0.00 C ATOM 727 CE2 PHE A 45 22.651 34.988 14.264 1.00 0.00 C ATOM 728 CZ PHE A 45 23.739 35.855 14.111 1.00 0.00 C ATOM 0 H PHE A 45 23.317 30.862 18.942 1.00 0.00 H new ATOM 0 HA PHE A 45 24.645 33.401 18.285 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.126 31.857 16.369 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.409 31.549 16.199 1.00 0.00 H new ATOM 0 HD1 PHE A 45 26.025 34.194 16.011 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.938 33.167 15.167 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.798 36.232 14.616 1.00 0.00 H new ATOM 0 HE2 PHE A 45 21.712 35.209 13.777 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.639 36.746 13.510 1.00 0.00 H new ATOM 738 N ALA A 46 22.311 34.428 18.287 1.00 0.00 N ATOM 739 CA ALA A 46 20.969 34.953 18.504 1.00 0.00 C ATOM 740 C ALA A 46 20.364 34.282 19.735 1.00 0.00 C ATOM 741 O ALA A 46 19.176 33.956 19.770 1.00 0.00 O ATOM 742 CB ALA A 46 20.095 34.691 17.275 1.00 0.00 C ATOM 0 H ALA A 46 23.045 35.131 18.205 1.00 0.00 H new ATOM 0 HA ALA A 46 21.020 36.030 18.666 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.095 35.088 17.449 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.534 35.181 16.406 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.034 33.618 17.094 1.00 0.00 H new ATOM 748 N GLY A 47 21.211 34.097 20.743 1.00 0.00 N ATOM 749 CA GLY A 47 20.809 33.488 22.007 1.00 0.00 C ATOM 750 C GLY A 47 20.326 32.040 21.858 1.00 0.00 C ATOM 751 O GLY A 47 19.820 31.466 22.821 1.00 0.00 O ATOM 0 H GLY A 47 22.195 34.365 20.707 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.651 33.513 22.698 1.00 0.00 H new ATOM 0 HA3 GLY A 47 20.013 34.085 22.453 1.00 0.00 H new ATOM 755 N LYS A 48 20.482 31.444 20.669 1.00 0.00 N ATOM 756 CA LYS A 48 20.042 30.050 20.453 1.00 0.00 C ATOM 757 C LYS A 48 21.210 29.133 20.112 1.00 0.00 C ATOM 758 O LYS A 48 22.118 29.508 19.369 1.00 0.00 O ATOM 759 CB LYS A 48 19.021 29.986 19.318 1.00 0.00 C ATOM 760 CG LYS A 48 18.389 28.592 19.266 1.00 0.00 C ATOM 761 CD LYS A 48 17.242 28.610 18.256 1.00 0.00 C ATOM 762 CE LYS A 48 16.664 27.204 18.096 1.00 0.00 C ATOM 763 NZ LYS A 48 16.095 26.749 19.395 1.00 0.00 N ATOM 0 H LYS A 48 20.901 31.890 19.853 1.00 0.00 H new ATOM 0 HA LYS A 48 19.592 29.709 21.385 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.248 30.740 19.469 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.505 30.211 18.368 1.00 0.00 H new ATOM 0 HG2 LYS A 48 19.134 27.850 18.978 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.020 28.308 20.251 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.464 29.296 18.590 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.599 28.977 17.294 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.891 27.203 17.328 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.442 26.515 17.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 15.473 25.931 19.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 16.867 26.476 20.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 15.547 27.522 19.824 1.00 0.00 H new ATOM 777 N GLN A 49 21.160 27.914 20.649 1.00 0.00 N ATOM 778 CA GLN A 49 22.189 26.920 20.399 1.00 0.00 C ATOM 779 C GLN A 49 21.918 26.207 19.074 1.00 0.00 C ATOM 780 O GLN A 49 20.787 25.808 18.797 1.00 0.00 O ATOM 781 CB GLN A 49 22.198 25.898 21.537 1.00 0.00 C ATOM 782 CG GLN A 49 23.448 25.023 21.438 1.00 0.00 C ATOM 783 CD GLN A 49 23.371 23.885 22.453 1.00 0.00 C ATOM 784 OE1 GLN A 49 23.006 22.763 22.103 1.00 0.00 O ATOM 785 NE2 GLN A 49 23.695 24.110 23.697 1.00 0.00 N ATOM 0 H GLN A 49 20.410 27.595 21.263 1.00 0.00 H new ATOM 0 HA GLN A 49 23.158 27.416 20.345 1.00 0.00 H new ATOM 0 HB2 GLN A 49 22.177 26.411 22.499 1.00 0.00 H new ATOM 0 HB3 GLN A 49 21.304 25.277 21.487 1.00 0.00 H new ATOM 0 HG2 GLN A 49 23.539 24.617 20.430 1.00 0.00 H new ATOM 0 HG3 GLN A 49 24.338 25.625 21.621 1.00 0.00 H new ATOM 0 HE21 GLN A 49 23.997 25.041 23.985 1.00 0.00 H new ATOM 0 HE22 GLN A 49 23.646 23.355 24.381 1.00 0.00 H new ATOM 794 N LEU A 50 22.953 26.058 18.258 1.00 0.00 N ATOM 795 CA LEU A 50 22.798 25.398 16.963 1.00 0.00 C ATOM 796 C LEU A 50 22.717 23.881 17.129 1.00 0.00 C ATOM 797 O LEU A 50 23.548 23.271 17.804 1.00 0.00 O ATOM 798 CB LEU A 50 23.968 25.764 16.046 1.00 0.00 C ATOM 799 CG LEU A 50 24.258 27.265 16.161 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.415 27.636 15.232 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.010 28.064 15.767 1.00 0.00 C ATOM 0 H LEU A 50 23.899 26.380 18.463 1.00 0.00 H new ATOM 0 HA LEU A 50 21.867 25.742 16.512 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.853 25.190 16.321 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.729 25.507 15.014 1.00 0.00 H new ATOM 0 HG LEU A 50 24.528 27.501 17.190 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.620 28.703 15.315 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.304 27.073 15.515 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.146 27.397 14.203 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.220 29.130 15.850 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.736 27.827 14.739 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.186 27.803 16.432 1.00 0.00 H new ATOM 813 N GLU A 51 21.694 23.283 16.516 1.00 0.00 N ATOM 814 CA GLU A 51 21.482 21.835 16.603 1.00 0.00 C ATOM 815 C GLU A 51 22.237 21.089 15.511 1.00 0.00 C ATOM 816 O GLU A 51 22.411 21.587 14.399 1.00 0.00 O ATOM 817 CB GLU A 51 19.982 21.522 16.481 1.00 0.00 C ATOM 818 CG GLU A 51 19.296 21.743 17.831 1.00 0.00 C ATOM 819 CD GLU A 51 17.818 21.378 17.735 1.00 0.00 C ATOM 820 OE1 GLU A 51 17.058 22.191 17.236 1.00 0.00 O ATOM 821 OE2 GLU A 51 17.468 20.290 18.163 1.00 0.00 O ATOM 0 H GLU A 51 21.000 23.777 15.955 1.00 0.00 H new ATOM 0 HA GLU A 51 21.861 21.503 17.570 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.528 22.161 15.723 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.841 20.491 16.155 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.779 21.136 18.597 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.402 22.784 18.135 1.00 0.00 H new ATOM 828 N ASP A 52 22.668 19.882 15.846 1.00 0.00 N ATOM 829 CA ASP A 52 23.389 19.046 14.910 1.00 0.00 C ATOM 830 C ASP A 52 22.455 18.532 13.818 1.00 0.00 C ATOM 831 O ASP A 52 21.287 18.239 14.075 1.00 0.00 O ATOM 832 CB ASP A 52 24.016 17.861 15.648 1.00 0.00 C ATOM 833 CG ASP A 52 25.191 18.337 16.498 1.00 0.00 C ATOM 834 OD1 ASP A 52 25.625 19.459 16.297 1.00 0.00 O ATOM 835 OD2 ASP A 52 25.637 17.572 17.336 1.00 0.00 O ATOM 0 H ASP A 52 22.528 19.462 16.765 1.00 0.00 H new ATOM 0 HA ASP A 52 24.174 19.644 14.447 1.00 0.00 H new ATOM 0 HB2 ASP A 52 23.270 17.380 16.281 1.00 0.00 H new ATOM 0 HB3 ASP A 52 24.355 17.113 14.931 1.00 0.00 H new ATOM 840 N GLY A 53 22.978 18.419 12.598 1.00 0.00 N ATOM 841 CA GLY A 53 22.186 17.929 11.468 1.00 0.00 C ATOM 842 C GLY A 53 21.569 19.074 10.664 1.00 0.00 C ATOM 843 O GLY A 53 21.061 18.858 9.565 1.00 0.00 O ATOM 0 H GLY A 53 23.942 18.659 12.366 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.818 17.327 10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.394 17.276 11.836 1.00 0.00 H new ATOM 847 N ARG A 54 21.617 20.294 11.204 1.00 0.00 N ATOM 848 CA ARG A 54 21.059 21.454 10.495 1.00 0.00 C ATOM 849 C ARG A 54 22.166 22.244 9.794 1.00 0.00 C ATOM 850 O ARG A 54 23.337 22.154 10.163 1.00 0.00 O ATOM 851 CB ARG A 54 20.324 22.371 11.476 1.00 0.00 C ATOM 852 CG ARG A 54 19.041 21.688 11.953 1.00 0.00 C ATOM 853 CD ARG A 54 18.225 22.670 12.796 1.00 0.00 C ATOM 854 NE ARG A 54 16.975 22.054 13.225 1.00 0.00 N ATOM 855 CZ ARG A 54 15.980 22.789 13.709 1.00 0.00 C ATOM 856 NH1 ARG A 54 14.883 22.214 14.121 1.00 0.00 N ATOM 857 NH2 ARG A 54 16.097 24.087 13.763 1.00 0.00 N ATOM 0 H ARG A 54 22.028 20.505 12.113 1.00 0.00 H new ATOM 0 HA ARG A 54 20.357 21.087 9.746 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.965 22.598 12.328 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.086 23.319 10.994 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.455 21.352 11.097 1.00 0.00 H new ATOM 0 HG3 ARG A 54 19.284 20.802 12.540 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.803 22.979 13.667 1.00 0.00 H new ATOM 0 HD3 ARG A 54 18.015 23.569 12.217 1.00 0.00 H new ATOM 0 HE ARG A 54 16.863 21.043 13.152 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.789 21.200 14.071 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.119 22.779 14.493 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.952 24.536 13.434 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.334 24.653 14.134 1.00 0.00 H new ATOM 871 N THR A 55 21.780 23.026 8.783 1.00 0.00 N ATOM 872 CA THR A 55 22.735 23.845 8.030 1.00 0.00 C ATOM 873 C THR A 55 22.665 25.289 8.515 1.00 0.00 C ATOM 874 O THR A 55 21.704 25.673 9.174 1.00 0.00 O ATOM 875 CB THR A 55 22.407 23.791 6.536 1.00 0.00 C ATOM 876 OG1 THR A 55 21.054 24.177 6.340 1.00 0.00 O ATOM 877 CG2 THR A 55 22.615 22.367 6.013 1.00 0.00 C ATOM 0 H THR A 55 20.814 23.110 8.467 1.00 0.00 H new ATOM 0 HA THR A 55 23.740 23.456 8.189 1.00 0.00 H new ATOM 0 HB THR A 55 23.064 24.471 5.994 1.00 0.00 H new ATOM 0 HG1 THR A 55 20.676 24.489 7.189 1.00 0.00 H new ATOM 0 HG21 THR A 55 22.381 22.332 4.949 1.00 0.00 H new ATOM 0 HG22 THR A 55 23.653 22.071 6.166 1.00 0.00 H new ATOM 0 HG23 THR A 55 21.960 21.682 6.551 1.00 0.00 H new ATOM 885 N LEU A 56 23.669 26.097 8.181 1.00 0.00 N ATOM 886 CA LEU A 56 23.657 27.494 8.606 1.00 0.00 C ATOM 887 C LEU A 56 22.377 28.176 8.112 1.00 0.00 C ATOM 888 O LEU A 56 21.788 28.979 8.833 1.00 0.00 O ATOM 889 CB LEU A 56 24.912 28.241 8.090 1.00 0.00 C ATOM 890 CG LEU A 56 26.030 28.218 9.151 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.509 26.779 9.371 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.204 29.086 8.672 1.00 0.00 C ATOM 0 H LEU A 56 24.482 25.818 7.631 1.00 0.00 H new ATOM 0 HA LEU A 56 23.677 27.528 9.695 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.266 27.776 7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 56 24.654 29.272 7.847 1.00 0.00 H new ATOM 0 HG LEU A 56 25.644 28.612 10.091 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.299 26.769 10.122 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.675 26.166 9.714 1.00 0.00 H new ATOM 0 HD13 LEU A 56 26.894 26.376 8.434 1.00 0.00 H new ATOM 0 HD21 LEU A 56 27.996 29.072 9.420 1.00 0.00 H new ATOM 0 HD22 LEU A 56 27.587 28.692 7.731 1.00 0.00 H new ATOM 0 HD23 LEU A 56 26.863 30.111 8.525 1.00 0.00 H new ATOM 904 N SER A 57 21.956 27.869 6.881 1.00 0.00 N ATOM 905 CA SER A 57 20.748 28.482 6.328 1.00 0.00 C ATOM 906 C SER A 57 19.620 28.447 7.349 1.00 0.00 C ATOM 907 O SER A 57 18.820 29.379 7.436 1.00 0.00 O ATOM 908 CB SER A 57 20.299 27.749 5.063 1.00 0.00 C ATOM 909 OG SER A 57 19.209 28.451 4.476 1.00 0.00 O ATOM 0 H SER A 57 22.426 27.211 6.259 1.00 0.00 H new ATOM 0 HA SER A 57 20.983 29.517 6.079 1.00 0.00 H new ATOM 0 HB2 SER A 57 21.126 27.680 4.356 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.001 26.729 5.306 1.00 0.00 H new ATOM 0 HG SER A 57 18.919 27.985 3.664 1.00 0.00 H new ATOM 915 N ASP A 58 19.564 27.371 8.128 1.00 0.00 N ATOM 916 CA ASP A 58 18.532 27.241 9.145 1.00 0.00 C ATOM 917 C ASP A 58 18.595 28.440 10.080 1.00 0.00 C ATOM 918 O ASP A 58 17.577 29.052 10.402 1.00 0.00 O ATOM 919 CB ASP A 58 18.743 25.949 9.943 1.00 0.00 C ATOM 920 CG ASP A 58 18.610 24.735 9.027 1.00 0.00 C ATOM 921 OD1 ASP A 58 18.903 24.868 7.849 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.218 23.688 9.517 1.00 0.00 O ATOM 0 H ASP A 58 20.214 26.586 8.074 1.00 0.00 H new ATOM 0 HA ASP A 58 17.554 27.203 8.665 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.729 25.957 10.407 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.012 25.887 10.749 1.00 0.00 H new ATOM 927 N TYR A 59 19.815 28.772 10.493 1.00 0.00 N ATOM 928 CA TYR A 59 20.064 29.905 11.380 1.00 0.00 C ATOM 929 C TYR A 59 20.600 31.082 10.566 1.00 0.00 C ATOM 930 O TYR A 59 21.767 31.074 10.206 1.00 0.00 O ATOM 931 CB TYR A 59 21.117 29.505 12.417 1.00 0.00 C ATOM 932 CG TYR A 59 20.686 28.243 13.126 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.043 26.988 12.613 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.934 28.330 14.302 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.645 25.821 13.280 1.00 0.00 C ATOM 936 CE2 TYR A 59 19.536 27.164 14.966 1.00 0.00 C ATOM 937 CZ TYR A 59 19.891 25.910 14.456 1.00 0.00 C ATOM 938 OH TYR A 59 19.499 24.762 15.113 1.00 0.00 O ATOM 0 H TYR A 59 20.658 28.264 10.223 1.00 0.00 H new ATOM 0 HA TYR A 59 19.136 30.190 11.875 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.079 29.348 11.929 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.253 30.310 13.139 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.624 26.920 11.705 1.00 0.00 H new ATOM 0 HD2 TYR A 59 19.660 29.297 14.698 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.920 24.854 12.887 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.954 27.232 15.873 1.00 0.00 H new ATOM 0 HH TYR A 59 18.984 25.002 15.912 1.00 0.00 H new ATOM 948 N ASN A 60 19.726 32.042 10.230 1.00 0.00 N ATOM 949 CA ASN A 60 20.107 33.202 9.396 1.00 0.00 C ATOM 950 C ASN A 60 21.409 33.894 9.848 1.00 0.00 C ATOM 951 O ASN A 60 21.404 35.067 10.223 1.00 0.00 O ATOM 952 CB ASN A 60 18.969 34.231 9.375 1.00 0.00 C ATOM 953 CG ASN A 60 17.751 33.657 8.654 1.00 0.00 C ATOM 954 OD1 ASN A 60 17.896 32.838 7.745 1.00 0.00 O ATOM 955 ND2 ASN A 60 16.552 34.041 9.004 1.00 0.00 N ATOM 0 H ASN A 60 18.748 32.042 10.521 1.00 0.00 H new ATOM 0 HA ASN A 60 20.291 32.806 8.397 1.00 0.00 H new ATOM 0 HB2 ASN A 60 18.700 34.507 10.395 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.301 35.141 8.875 1.00 0.00 H new ATOM 0 HD21 ASN A 60 15.735 33.663 8.525 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.433 34.719 9.757 1.00 0.00 H new ATOM 962 N ILE A 61 22.517 33.158 9.772 1.00 0.00 N ATOM 963 CA ILE A 61 23.838 33.671 10.127 1.00 0.00 C ATOM 964 C ILE A 61 24.533 34.163 8.858 1.00 0.00 C ATOM 965 O ILE A 61 25.056 33.359 8.090 1.00 0.00 O ATOM 966 CB ILE A 61 24.675 32.542 10.746 1.00 0.00 C ATOM 967 CG1 ILE A 61 24.077 32.115 12.089 1.00 0.00 C ATOM 968 CG2 ILE A 61 26.116 33.018 10.959 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.756 30.821 12.550 1.00 0.00 C ATOM 0 H ILE A 61 22.523 32.186 9.462 1.00 0.00 H new ATOM 0 HA ILE A 61 23.736 34.487 10.843 1.00 0.00 H new ATOM 0 HB ILE A 61 24.670 31.691 10.065 1.00 0.00 H new ATOM 0 HG12 ILE A 61 24.220 32.900 12.831 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.002 31.962 11.991 1.00 0.00 H new ATOM 0 HG21 ILE A 61 26.704 32.212 11.398 1.00 0.00 H new ATOM 0 HG22 ILE A 61 26.550 33.303 10.001 1.00 0.00 H new ATOM 0 HG23 ILE A 61 26.120 33.877 11.630 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.335 30.510 13.506 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.590 30.039 11.809 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.827 30.992 12.663 1.00 0.00 H new ATOM 981 N GLN A 62 24.525 35.474 8.622 1.00 0.00 N ATOM 982 CA GLN A 62 25.147 36.016 7.409 1.00 0.00 C ATOM 983 C GLN A 62 26.650 36.207 7.561 1.00 0.00 C ATOM 984 O GLN A 62 27.217 36.014 8.636 1.00 0.00 O ATOM 985 CB GLN A 62 24.505 37.348 7.029 1.00 0.00 C ATOM 986 CG GLN A 62 23.010 37.144 6.790 1.00 0.00 C ATOM 987 CD GLN A 62 22.372 38.457 6.350 1.00 0.00 C ATOM 988 OE1 GLN A 62 22.509 38.859 5.195 1.00 0.00 O ATOM 989 NE2 GLN A 62 21.681 39.154 7.209 1.00 0.00 N ATOM 0 H GLN A 62 24.105 36.170 9.238 1.00 0.00 H new ATOM 0 HA GLN A 62 24.981 35.284 6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 62 24.661 38.078 7.823 1.00 0.00 H new ATOM 0 HB3 GLN A 62 24.976 37.748 6.131 1.00 0.00 H new ATOM 0 HG2 GLN A 62 22.855 36.381 6.027 1.00 0.00 H new ATOM 0 HG3 GLN A 62 22.533 36.785 7.702 1.00 0.00 H new ATOM 0 HE21 GLN A 62 21.569 38.818 8.166 1.00 0.00 H new ATOM 0 HE22 GLN A 62 21.253 40.035 6.924 1.00 0.00 H new ATOM 998 N LYS A 63 27.287 36.561 6.446 1.00 0.00 N ATOM 999 CA LYS A 63 28.732 36.750 6.421 1.00 0.00 C ATOM 1000 C LYS A 63 29.183 37.846 7.379 1.00 0.00 C ATOM 1001 O LYS A 63 28.473 38.823 7.618 1.00 0.00 O ATOM 1002 CB LYS A 63 29.215 37.053 4.994 1.00 0.00 C ATOM 1003 CG LYS A 63 28.789 38.458 4.549 1.00 0.00 C ATOM 1004 CD LYS A 63 29.061 38.596 3.045 1.00 0.00 C ATOM 1005 CE LYS A 63 28.912 40.056 2.610 1.00 0.00 C ATOM 1006 NZ LYS A 63 27.601 40.584 3.080 1.00 0.00 N ATOM 0 H LYS A 63 26.824 36.722 5.551 1.00 0.00 H new ATOM 0 HA LYS A 63 29.184 35.817 6.757 1.00 0.00 H new ATOM 0 HB2 LYS A 63 30.301 36.969 4.949 1.00 0.00 H new ATOM 0 HB3 LYS A 63 28.809 36.312 4.305 1.00 0.00 H new ATOM 0 HG2 LYS A 63 27.731 38.617 4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 63 29.342 39.215 5.105 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.066 38.242 2.816 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.367 37.970 2.484 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.725 40.654 3.022 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.978 40.132 1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.377 41.462 2.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 26.858 39.879 2.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.651 40.780 4.100 1.00 0.00 H new ATOM 1020 N GLU A 64 30.387 37.656 7.913 1.00 0.00 N ATOM 1021 CA GLU A 64 30.988 38.604 8.844 1.00 0.00 C ATOM 1022 C GLU A 64 30.111 38.841 10.071 1.00 0.00 C ATOM 1023 O GLU A 64 29.584 39.935 10.272 1.00 0.00 O ATOM 1024 CB GLU A 64 31.271 39.925 8.129 1.00 0.00 C ATOM 1025 CG GLU A 64 32.244 39.663 6.977 1.00 0.00 C ATOM 1026 CD GLU A 64 32.539 40.958 6.230 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.479 41.636 6.609 1.00 0.00 O ATOM 1028 OE2 GLU A 64 31.824 41.248 5.284 1.00 0.00 O ATOM 0 H GLU A 64 30.970 36.844 7.713 1.00 0.00 H new ATOM 0 HA GLU A 64 31.924 38.172 9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 64 30.344 40.355 7.750 1.00 0.00 H new ATOM 0 HB3 GLU A 64 31.696 40.648 8.825 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.171 39.239 7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 64 31.819 38.929 6.293 1.00 0.00 H new HETATM 1035 N SEP A 65 29.988 37.808 10.911 1.00 0.00 N HETATM 1036 CA SEP A 65 29.209 37.890 12.149 1.00 0.00 C HETATM 1037 CB SEP A 65 27.907 37.097 12.009 1.00 0.00 C HETATM 1038 OG SEP A 65 27.188 37.565 10.873 1.00 0.00 O HETATM 1039 C SEP A 65 30.047 37.308 13.284 1.00 0.00 C HETATM 1040 O SEP A 65 31.026 36.608 13.025 1.00 0.00 O HETATM 1041 P SEP A 65 26.234 38.767 10.995 1.00 0.00 P HETATM 1042 O1P SEP A 65 26.577 39.433 12.371 1.00 0.00 O HETATM 1043 O2P SEP A 65 24.791 38.157 10.944 1.00 0.00 O HETATM 1044 O3P SEP A 65 26.564 39.681 9.765 1.00 0.00 O HETATM 0 HB3 SEP A 65 28.125 36.034 11.903 1.00 0.00 H new HETATM 0 HB2 SEP A 65 27.301 37.210 12.908 1.00 0.00 H new HETATM 0 HA SEP A 65 28.958 38.930 12.359 1.00 0.00 H new ATOM 1049 N THR A 66 29.682 37.584 14.536 1.00 0.00 N ATOM 1050 CA THR A 66 30.444 37.053 15.674 1.00 0.00 C ATOM 1051 C THR A 66 29.731 35.852 16.289 1.00 0.00 C ATOM 1052 O THR A 66 28.592 35.960 16.748 1.00 0.00 O ATOM 1053 CB THR A 66 30.628 38.137 16.737 1.00 0.00 C ATOM 1054 OG1 THR A 66 31.316 39.241 16.166 1.00 0.00 O ATOM 1055 CG2 THR A 66 31.446 37.571 17.902 1.00 0.00 C ATOM 0 H THR A 66 28.880 38.161 14.789 1.00 0.00 H new ATOM 0 HA THR A 66 31.420 36.733 15.309 1.00 0.00 H new ATOM 0 HB THR A 66 29.654 38.464 17.102 1.00 0.00 H new ATOM 0 HG1 THR A 66 31.434 39.939 16.844 1.00 0.00 H new ATOM 0 HG21 THR A 66 31.579 38.341 18.661 1.00 0.00 H new ATOM 0 HG22 THR A 66 30.921 36.720 18.336 1.00 0.00 H new ATOM 0 HG23 THR A 66 32.421 37.248 17.539 1.00 0.00 H new ATOM 1063 N LEU A 67 30.418 34.708 16.299 1.00 0.00 N ATOM 1064 CA LEU A 67 29.861 33.479 16.861 1.00 0.00 C ATOM 1065 C LEU A 67 30.291 33.341 18.321 1.00 0.00 C ATOM 1066 O LEU A 67 31.436 33.645 18.660 1.00 0.00 O ATOM 1067 CB LEU A 67 30.363 32.268 16.061 1.00 0.00 C ATOM 1068 CG LEU A 67 29.538 31.016 16.405 1.00 0.00 C ATOM 1069 CD1 LEU A 67 28.082 31.181 15.918 1.00 0.00 C ATOM 1070 CD2 LEU A 67 30.175 29.789 15.731 1.00 0.00 C ATOM 0 H LEU A 67 31.361 34.608 15.924 1.00 0.00 H new ATOM 0 HA LEU A 67 28.773 33.521 16.806 1.00 0.00 H new ATOM 0 HB2 LEU A 67 30.292 32.475 14.993 1.00 0.00 H new ATOM 0 HB3 LEU A 67 31.415 32.089 16.282 1.00 0.00 H new ATOM 0 HG LEU A 67 29.530 30.880 17.486 1.00 0.00 H new ATOM 0 HD11 LEU A 67 27.511 30.287 16.169 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.632 32.047 16.403 1.00 0.00 H new ATOM 0 HD13 LEU A 67 28.074 31.326 14.838 1.00 0.00 H new ATOM 0 HD21 LEU A 67 29.594 28.899 15.972 1.00 0.00 H new ATOM 0 HD22 LEU A 67 30.187 29.933 14.651 1.00 0.00 H new ATOM 0 HD23 LEU A 67 31.196 29.664 16.092 1.00 0.00 H new ATOM 1082 N HIS A 68 29.381 32.887 19.194 1.00 0.00 N ATOM 1083 CA HIS A 68 29.718 32.729 20.606 1.00 0.00 C ATOM 1084 C HIS A 68 30.182 31.297 20.883 1.00 0.00 C ATOM 1085 O HIS A 68 29.421 30.348 20.686 1.00 0.00 O ATOM 1086 CB HIS A 68 28.493 33.044 21.468 1.00 0.00 C ATOM 1087 CG HIS A 68 28.139 34.500 21.327 1.00 0.00 C ATOM 1088 ND1 HIS A 68 27.308 34.966 20.320 1.00 0.00 N ATOM 1089 CD2 HIS A 68 28.496 35.607 22.059 1.00 0.00 C ATOM 1090 CE1 HIS A 68 27.194 36.299 20.470 1.00 0.00 C ATOM 1091 NE2 HIS A 68 27.898 36.741 21.515 1.00 0.00 N ATOM 0 H HIS A 68 28.425 32.628 18.949 1.00 0.00 H new ATOM 0 HA HIS A 68 30.525 33.418 20.853 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.651 32.423 21.162 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.700 32.809 22.512 1.00 0.00 H new ATOM 0 HD2 HIS A 68 29.142 35.599 22.924 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.605 36.933 19.824 1.00 0.00 H new ATOM 0 HE2 HIS A 68 27.980 37.703 21.844 1.00 0.00 H new ATOM 1100 N LEU A 69 31.426 31.140 21.359 1.00 0.00 N ATOM 1101 CA LEU A 69 31.965 29.832 21.676 1.00 0.00 C ATOM 1102 C LEU A 69 32.084 29.717 23.182 1.00 0.00 C ATOM 1103 O LEU A 69 32.961 30.316 23.807 1.00 0.00 O ATOM 1104 CB LEU A 69 33.338 29.660 21.019 1.00 0.00 C ATOM 1105 CG LEU A 69 33.742 28.174 21.004 1.00 0.00 C ATOM 1106 CD1 LEU A 69 35.036 28.005 20.200 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.965 27.670 22.444 1.00 0.00 C ATOM 0 H LEU A 69 32.070 31.912 21.529 1.00 0.00 H new ATOM 0 HA LEU A 69 31.305 29.051 21.297 1.00 0.00 H new ATOM 0 HB2 LEU A 69 33.312 30.047 20.000 1.00 0.00 H new ATOM 0 HB3 LEU A 69 34.084 30.241 21.562 1.00 0.00 H new ATOM 0 HG LEU A 69 32.943 27.593 20.543 1.00 0.00 H new ATOM 0 HD11 LEU A 69 35.323 26.953 20.189 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.877 28.349 19.178 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.830 28.593 20.661 1.00 0.00 H new ATOM 0 HD21 LEU A 69 34.250 26.618 22.421 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.758 28.251 22.914 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.044 27.784 23.016 1.00 0.00 H new ATOM 1119 N VAL A 70 31.191 28.932 23.749 1.00 0.00 N ATOM 1120 CA VAL A 70 31.161 28.701 25.192 1.00 0.00 C ATOM 1121 C VAL A 70 31.631 27.284 25.498 1.00 0.00 C ATOM 1122 O VAL A 70 31.390 26.359 24.722 1.00 0.00 O ATOM 1123 CB VAL A 70 29.737 28.902 25.713 1.00 0.00 C ATOM 1124 CG1 VAL A 70 29.722 28.772 27.236 1.00 0.00 C ATOM 1125 CG2 VAL A 70 29.246 30.297 25.317 1.00 0.00 C ATOM 0 H VAL A 70 30.466 28.435 23.232 1.00 0.00 H new ATOM 0 HA VAL A 70 31.827 29.409 25.685 1.00 0.00 H new ATOM 0 HB VAL A 70 29.083 28.145 25.280 1.00 0.00 H new ATOM 0 HG11 VAL A 70 28.706 28.916 27.603 1.00 0.00 H new ATOM 0 HG12 VAL A 70 30.074 27.780 27.520 1.00 0.00 H new ATOM 0 HG13 VAL A 70 30.376 29.527 27.672 1.00 0.00 H new ATOM 0 HG21 VAL A 70 28.231 30.444 25.687 1.00 0.00 H new ATOM 0 HG22 VAL A 70 29.903 31.051 25.751 1.00 0.00 H new ATOM 0 HG23 VAL A 70 29.254 30.391 24.231 1.00 0.00 H new ATOM 1135 N LEU A 71 32.306 27.123 26.630 1.00 0.00 N ATOM 1136 CA LEU A 71 32.810 25.815 27.032 1.00 0.00 C ATOM 1137 C LEU A 71 31.664 24.913 27.471 1.00 0.00 C ATOM 1138 O LEU A 71 30.493 25.284 27.377 1.00 0.00 O ATOM 1139 CB LEU A 71 33.819 25.962 28.175 1.00 0.00 C ATOM 1140 CG LEU A 71 34.714 27.188 27.932 1.00 0.00 C ATOM 1141 CD1 LEU A 71 35.882 27.171 28.923 1.00 0.00 C ATOM 1142 CD2 LEU A 71 35.260 27.165 26.495 1.00 0.00 C ATOM 0 H LEU A 71 32.516 27.878 27.283 1.00 0.00 H new ATOM 0 HA LEU A 71 33.307 25.362 26.174 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.293 26.068 29.124 1.00 0.00 H new ATOM 0 HB3 LEU A 71 34.431 25.063 28.248 1.00 0.00 H new ATOM 0 HG LEU A 71 34.125 28.094 28.075 1.00 0.00 H new ATOM 0 HD11 LEU A 71 36.517 28.040 28.752 1.00 0.00 H new ATOM 0 HD12 LEU A 71 35.495 27.200 29.942 1.00 0.00 H new ATOM 0 HD13 LEU A 71 36.466 26.261 28.782 1.00 0.00 H new ATOM 0 HD21 LEU A 71 35.893 28.037 26.332 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.846 26.258 26.343 1.00 0.00 H new ATOM 0 HD23 LEU A 71 34.429 27.183 25.790 1.00 0.00 H new ATOM 1154 N ARG A 72 32.016 23.728 27.947 1.00 0.00 N ATOM 1155 CA ARG A 72 31.012 22.773 28.404 1.00 0.00 C ATOM 1156 C ARG A 72 30.264 23.329 29.609 1.00 0.00 C ATOM 1157 O ARG A 72 29.148 22.906 29.911 1.00 0.00 O ATOM 1158 CB ARG A 72 31.683 21.451 28.777 1.00 0.00 C ATOM 1159 CG ARG A 72 32.733 21.696 29.864 1.00 0.00 C ATOM 1160 CD ARG A 72 33.379 20.367 30.256 1.00 0.00 C ATOM 1161 NE ARG A 72 32.365 19.437 30.738 1.00 0.00 N ATOM 1162 CZ ARG A 72 32.632 18.143 30.880 1.00 0.00 C ATOM 1163 NH1 ARG A 72 31.709 17.330 31.316 1.00 0.00 N ATOM 1164 NH2 ARG A 72 33.817 17.684 30.581 1.00 0.00 N ATOM 0 H ARG A 72 32.980 23.405 28.027 1.00 0.00 H new ATOM 0 HA ARG A 72 30.301 22.600 27.597 1.00 0.00 H new ATOM 0 HB2 ARG A 72 30.937 20.740 29.132 1.00 0.00 H new ATOM 0 HB3 ARG A 72 32.152 21.009 27.898 1.00 0.00 H new ATOM 0 HG2 ARG A 72 33.492 22.389 29.502 1.00 0.00 H new ATOM 0 HG3 ARG A 72 32.269 22.158 30.735 1.00 0.00 H new ATOM 0 HD2 ARG A 72 33.897 19.939 29.398 1.00 0.00 H new ATOM 0 HD3 ARG A 72 34.128 20.533 31.030 1.00 0.00 H new ATOM 0 HE ARG A 72 31.435 19.785 30.970 1.00 0.00 H new ATOM 0 HH11 ARG A 72 30.782 17.688 31.548 1.00 0.00 H new ATOM 0 HH12 ARG A 72 31.914 16.337 31.425 1.00 0.00 H new ATOM 0 HH21 ARG A 72 34.538 18.319 30.238 1.00 0.00 H new ATOM 0 HH22 ARG A 72 34.022 16.691 30.690 1.00 0.00 H new ATOM 1178 N LEU A 73 30.887 24.284 30.294 1.00 0.00 N ATOM 1179 CA LEU A 73 30.269 24.897 31.462 1.00 0.00 C ATOM 1180 C LEU A 73 29.115 25.799 31.035 1.00 0.00 C ATOM 1181 O LEU A 73 29.298 26.731 30.251 1.00 0.00 O ATOM 1182 CB LEU A 73 31.306 25.715 32.242 1.00 0.00 C ATOM 1183 CG LEU A 73 32.560 24.864 32.500 1.00 0.00 C ATOM 1184 CD1 LEU A 73 33.649 25.725 33.153 1.00 0.00 C ATOM 1185 CD2 LEU A 73 32.211 23.697 33.434 1.00 0.00 C ATOM 0 H LEU A 73 31.812 24.647 30.062 1.00 0.00 H new ATOM 0 HA LEU A 73 29.883 24.107 32.106 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.573 26.610 31.680 1.00 0.00 H new ATOM 0 HB3 LEU A 73 30.881 26.048 33.189 1.00 0.00 H new ATOM 0 HG LEU A 73 32.926 24.475 31.550 1.00 0.00 H new ATOM 0 HD11 LEU A 73 34.535 25.116 33.333 1.00 0.00 H new ATOM 0 HD12 LEU A 73 33.905 26.552 32.490 1.00 0.00 H new ATOM 0 HD13 LEU A 73 33.281 26.120 34.100 1.00 0.00 H new ATOM 0 HD21 LEU A 73 33.102 23.096 33.614 1.00 0.00 H new ATOM 0 HD22 LEU A 73 31.839 24.088 34.381 1.00 0.00 H new ATOM 0 HD23 LEU A 73 31.443 23.077 32.971 1.00 0.00 H new ATOM 1197 N ARG A 74 27.924 25.507 31.548 1.00 0.00 N ATOM 1198 CA ARG A 74 26.738 26.288 31.213 1.00 0.00 C ATOM 1199 C ARG A 74 26.706 27.589 32.008 1.00 0.00 C ATOM 1200 O ARG A 74 26.146 28.590 31.558 1.00 0.00 O ATOM 1201 CB ARG A 74 25.480 25.473 31.517 1.00 0.00 C ATOM 1202 CG ARG A 74 25.363 24.322 30.516 1.00 0.00 C ATOM 1203 CD ARG A 74 24.221 23.394 30.936 1.00 0.00 C ATOM 1204 NE ARG A 74 22.937 24.071 30.783 1.00 0.00 N ATOM 1205 CZ ARG A 74 22.314 24.106 29.609 1.00 0.00 C ATOM 1206 NH1 ARG A 74 21.168 24.719 29.497 1.00 0.00 N ATOM 1207 NH2 ARG A 74 22.849 23.525 28.570 1.00 0.00 N ATOM 0 H ARG A 74 27.754 24.737 32.196 1.00 0.00 H new ATOM 0 HA ARG A 74 26.772 26.529 30.150 1.00 0.00 H new ATOM 0 HB2 ARG A 74 25.524 25.082 32.533 1.00 0.00 H new ATOM 0 HB3 ARG A 74 24.598 26.111 31.459 1.00 0.00 H new ATOM 0 HG2 ARG A 74 25.178 24.713 29.516 1.00 0.00 H new ATOM 0 HG3 ARG A 74 26.300 23.767 30.473 1.00 0.00 H new ATOM 0 HD2 ARG A 74 24.237 22.489 30.329 1.00 0.00 H new ATOM 0 HD3 ARG A 74 24.356 23.086 31.973 1.00 0.00 H new ATOM 0 HE ARG A 74 22.510 24.525 31.591 1.00 0.00 H new ATOM 0 HH11 ARG A 74 20.750 25.171 30.310 1.00 0.00 H new ATOM 0 HH12 ARG A 74 20.690 24.746 28.596 1.00 0.00 H new ATOM 0 HH21 ARG A 74 23.744 23.045 28.659 1.00 0.00 H new ATOM 0 HH22 ARG A 74 22.372 23.551 27.669 1.00 0.00 H new ATOM 1221 N GLY A 75 27.305 27.568 33.193 1.00 0.00 N ATOM 1222 CA GLY A 75 27.335 28.752 34.044 1.00 0.00 C ATOM 1223 C GLY A 75 28.451 28.654 35.078 1.00 0.00 C ATOM 1224 O GLY A 75 28.419 27.797 35.962 1.00 0.00 O ATOM 0 H GLY A 75 27.773 26.751 33.584 1.00 0.00 H new ATOM 0 HA2 GLY A 75 27.480 29.641 33.431 1.00 0.00 H new ATOM 0 HA3 GLY A 75 26.376 28.866 34.549 1.00 0.00 H new ATOM 1228 N GLY A 76 29.435 29.540 34.965 1.00 0.00 N ATOM 1229 CA GLY A 76 30.556 29.548 35.899 1.00 0.00 C ATOM 1230 C GLY A 76 31.721 30.359 35.344 1.00 0.00 C ATOM 1231 O GLY A 76 32.852 29.954 35.552 1.00 0.00 O ATOM 1232 OXT GLY A 76 31.465 31.375 34.719 1.00 0.00 O ATOM 0 H GLY A 76 29.480 30.257 34.241 1.00 0.00 H new ATOM 0 HA2 GLY A 76 30.237 29.968 36.853 1.00 0.00 H new ATOM 0 HA3 GLY A 76 30.880 28.526 36.094 1.00 0.00 H new TER 1236 GLY A 76