USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 24 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0.594 USER MOD Set 2.2: A 23 TYR OH : rot -25:sc= 0.65 USER MOD Single : A 1 SER N :NH3+ -109:sc= 0.0691 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0.689 K(o=0.69,f=-4.4!) USER MOD Single : A 17 ASN : amide:sc= 0.00536 K(o=0.0054,f=-1.8!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= -0.163 K(o=-0.16,f=-9.2!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 2:sc= 0.621 USER MOD Single : A 42 MET CE :methyl -151:sc= -0.0159 (180deg=-0.527) USER MOD Single : A 44 THR OG1 : rot 156:sc= 1.26 USER MOD Single : A 46 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0227) USER MOD Single : A 47 MET CE :methyl -119:sc= 0 (180deg=-0.018) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00197 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 25.609 38.908 24.533 1.00 0.00 N ATOM 2 CA SER A 1 26.682 38.937 23.517 1.00 0.00 C ATOM 3 C SER A 1 27.759 37.902 23.833 1.00 0.00 C ATOM 4 O SER A 1 27.952 37.555 25.002 1.00 0.00 O ATOM 5 CB SER A 1 27.295 40.322 23.329 1.00 0.00 C ATOM 6 OG SER A 1 27.929 40.343 22.062 1.00 0.00 O ATOM 0 H1 SER A 1 24.746 38.505 24.115 1.00 0.00 H new ATOM 0 H2 SER A 1 25.909 38.323 25.339 1.00 0.00 H new ATOM 0 H3 SER A 1 25.415 39.876 24.861 1.00 0.00 H new ATOM 0 HA SER A 1 26.213 38.679 22.568 1.00 0.00 H new ATOM 0 HB2 SER A 1 26.525 41.092 23.385 1.00 0.00 H new ATOM 0 HB3 SER A 1 28.014 40.533 24.120 1.00 0.00 H new ATOM 0 HG SER A 1 28.332 41.224 21.912 1.00 0.00 H new ATOM 12 N MET A 2 28.452 37.400 22.806 1.00 0.00 N ATOM 13 CA MET A 2 29.517 36.375 22.874 1.00 0.00 C ATOM 14 C MET A 2 30.734 36.751 23.746 1.00 0.00 C ATOM 15 O MET A 2 30.936 37.920 24.074 1.00 0.00 O ATOM 16 CB MET A 2 29.970 36.043 21.441 1.00 0.00 C ATOM 17 CG MET A 2 30.537 37.257 20.694 1.00 0.00 C ATOM 18 SD MET A 2 31.225 36.832 19.081 1.00 0.00 S ATOM 19 CE MET A 2 31.653 38.513 18.580 1.00 0.00 C ATOM 0 H MET A 2 28.281 37.710 21.849 1.00 0.00 H new ATOM 0 HA MET A 2 29.080 35.508 23.370 1.00 0.00 H new ATOM 0 HB2 MET A 2 30.727 35.260 21.478 1.00 0.00 H new ATOM 0 HB3 MET A 2 29.124 35.642 20.882 1.00 0.00 H new ATOM 0 HG2 MET A 2 29.748 37.997 20.563 1.00 0.00 H new ATOM 0 HG3 MET A 2 31.312 37.722 21.303 1.00 0.00 H new ATOM 0 HE1 MET A 2 32.105 38.493 17.588 1.00 0.00 H new ATOM 0 HE2 MET A 2 30.752 39.126 18.556 1.00 0.00 H new ATOM 0 HE3 MET A 2 32.361 38.936 19.293 1.00 0.00 H new ATOM 29 N VAL A 3 31.579 35.768 24.072 1.00 0.00 N ATOM 30 CA VAL A 3 32.849 35.934 24.812 1.00 0.00 C ATOM 31 C VAL A 3 33.965 35.068 24.213 1.00 0.00 C ATOM 32 O VAL A 3 33.718 33.953 23.764 1.00 0.00 O ATOM 33 CB VAL A 3 32.708 35.595 26.319 1.00 0.00 C ATOM 34 CG1 VAL A 3 31.844 36.638 27.047 1.00 0.00 C ATOM 35 CG2 VAL A 3 32.144 34.186 26.594 1.00 0.00 C ATOM 0 H VAL A 3 31.397 34.796 23.822 1.00 0.00 H new ATOM 0 HA VAL A 3 33.110 36.988 24.717 1.00 0.00 H new ATOM 0 HB VAL A 3 33.726 35.615 26.708 1.00 0.00 H new ATOM 0 HG11 VAL A 3 31.764 36.372 28.101 1.00 0.00 H new ATOM 0 HG12 VAL A 3 32.305 37.621 26.954 1.00 0.00 H new ATOM 0 HG13 VAL A 3 30.849 36.661 26.602 1.00 0.00 H new ATOM 0 HG21 VAL A 3 32.076 34.025 27.670 1.00 0.00 H new ATOM 0 HG22 VAL A 3 31.152 34.098 26.150 1.00 0.00 H new ATOM 0 HG23 VAL A 3 32.805 33.438 26.156 1.00 0.00 H new ATOM 45 N ASN A 4 35.207 35.562 24.243 1.00 0.00 N ATOM 46 CA ASN A 4 36.400 34.757 23.950 1.00 0.00 C ATOM 47 C ASN A 4 36.845 33.980 25.207 1.00 0.00 C ATOM 48 O ASN A 4 36.834 34.540 26.303 1.00 0.00 O ATOM 49 CB ASN A 4 37.538 35.665 23.453 1.00 0.00 C ATOM 50 CG ASN A 4 37.194 36.394 22.158 1.00 0.00 C ATOM 51 OD1 ASN A 4 36.709 37.522 22.165 1.00 0.00 O ATOM 52 ND2 ASN A 4 37.423 35.785 21.010 1.00 0.00 N ATOM 0 H ASN A 4 35.415 36.534 24.472 1.00 0.00 H new ATOM 0 HA ASN A 4 36.156 34.038 23.168 1.00 0.00 H new ATOM 0 HB2 ASN A 4 37.775 36.398 24.225 1.00 0.00 H new ATOM 0 HB3 ASN A 4 38.434 35.064 23.299 1.00 0.00 H new ATOM 0 HD21 ASN A 4 37.197 36.251 20.131 1.00 0.00 H new ATOM 0 HD22 ASN A 4 37.826 34.848 21.001 1.00 0.00 H new ATOM 59 N THR A 5 37.286 32.723 25.064 1.00 0.00 N ATOM 60 CA THR A 5 37.922 31.933 26.140 1.00 0.00 C ATOM 61 C THR A 5 39.078 31.135 25.573 1.00 0.00 C ATOM 62 O THR A 5 38.992 30.489 24.528 1.00 0.00 O ATOM 63 CB THR A 5 36.973 30.959 26.845 1.00 0.00 C ATOM 64 OG1 THR A 5 36.455 29.978 25.983 1.00 0.00 O ATOM 65 CG2 THR A 5 35.857 31.658 27.587 1.00 0.00 C ATOM 0 H THR A 5 37.212 32.213 24.184 1.00 0.00 H new ATOM 0 HA THR A 5 38.253 32.660 26.882 1.00 0.00 H new ATOM 0 HB THR A 5 37.592 30.451 27.585 1.00 0.00 H new ATOM 0 HG1 THR A 5 35.858 29.384 26.485 1.00 0.00 H new ATOM 0 HG21 THR A 5 35.218 30.916 28.066 1.00 0.00 H new ATOM 0 HG22 THR A 5 36.281 32.316 28.346 1.00 0.00 H new ATOM 0 HG23 THR A 5 35.266 32.247 26.885 1.00 0.00 H new ATOM 73 N GLY A 6 40.124 31.064 26.380 1.00 0.00 N ATOM 74 CA GLY A 6 41.059 29.956 26.369 1.00 0.00 C ATOM 75 C GLY A 6 40.557 28.647 26.979 1.00 0.00 C ATOM 76 O GLY A 6 41.364 27.736 27.134 1.00 0.00 O ATOM 0 H GLY A 6 40.348 31.783 27.068 1.00 0.00 H new ATOM 0 HA2 GLY A 6 41.351 29.764 25.337 1.00 0.00 H new ATOM 0 HA3 GLY A 6 41.959 30.261 26.903 1.00 0.00 H new ATOM 80 N LEU A 7 39.296 28.534 27.411 1.00 0.00 N ATOM 81 CA LEU A 7 38.809 27.346 28.118 1.00 0.00 C ATOM 82 C LEU A 7 38.710 26.173 27.123 1.00 0.00 C ATOM 83 O LEU A 7 38.576 26.432 25.922 1.00 0.00 O ATOM 84 CB LEU A 7 37.493 27.631 28.868 1.00 0.00 C ATOM 85 CG LEU A 7 37.690 28.210 30.286 1.00 0.00 C ATOM 86 CD1 LEU A 7 36.362 28.761 30.825 1.00 0.00 C ATOM 87 CD2 LEU A 7 38.244 27.173 31.282 1.00 0.00 C ATOM 0 H LEU A 7 38.589 29.258 27.281 1.00 0.00 H new ATOM 0 HA LEU A 7 39.519 27.062 28.895 1.00 0.00 H new ATOM 0 HB2 LEU A 7 36.897 28.330 28.281 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.921 26.706 28.941 1.00 0.00 H new ATOM 0 HG LEU A 7 38.425 29.010 30.194 1.00 0.00 H new ATOM 0 HD11 LEU A 7 36.515 29.166 31.825 1.00 0.00 H new ATOM 0 HD12 LEU A 7 36.001 29.550 30.165 1.00 0.00 H new ATOM 0 HD13 LEU A 7 35.626 27.959 30.867 1.00 0.00 H new ATOM 0 HD21 LEU A 7 38.362 27.636 32.262 1.00 0.00 H new ATOM 0 HD22 LEU A 7 37.551 26.335 31.358 1.00 0.00 H new ATOM 0 HD23 LEU A 7 39.212 26.813 30.932 1.00 0.00 H new ATOM 99 N PRO A 8 38.806 24.907 27.573 1.00 0.00 N ATOM 100 CA PRO A 8 38.756 23.756 26.677 1.00 0.00 C ATOM 101 C PRO A 8 37.300 23.482 26.252 1.00 0.00 C ATOM 102 O PRO A 8 36.479 24.396 26.220 1.00 0.00 O ATOM 103 CB PRO A 8 39.418 22.645 27.495 1.00 0.00 C ATOM 104 CG PRO A 8 38.851 22.921 28.878 1.00 0.00 C ATOM 105 CD PRO A 8 38.970 24.444 28.951 1.00 0.00 C ATOM 0 HA PRO A 8 39.276 23.881 25.727 1.00 0.00 H new ATOM 0 HB2 PRO A 8 39.153 21.652 27.132 1.00 0.00 H new ATOM 0 HB3 PRO A 8 40.506 22.711 27.475 1.00 0.00 H new ATOM 0 HG2 PRO A 8 37.819 22.584 28.974 1.00 0.00 H new ATOM 0 HG3 PRO A 8 39.422 22.426 29.663 1.00 0.00 H new ATOM 0 HD2 PRO A 8 38.206 24.868 29.603 1.00 0.00 H new ATOM 0 HD3 PRO A 8 39.937 24.745 29.355 1.00 0.00 H new ATOM 113 N ALA A 9 36.949 22.234 25.931 1.00 0.00 N ATOM 114 CA ALA A 9 35.594 21.891 25.496 1.00 0.00 C ATOM 115 C ALA A 9 34.522 22.170 26.570 1.00 0.00 C ATOM 116 O ALA A 9 33.399 22.536 26.222 1.00 0.00 O ATOM 117 CB ALA A 9 35.601 20.428 25.042 1.00 0.00 C ATOM 0 H ALA A 9 37.589 21.441 25.965 1.00 0.00 H new ATOM 0 HA ALA A 9 35.313 22.536 24.664 1.00 0.00 H new ATOM 0 HB1 ALA A 9 34.602 20.145 24.712 1.00 0.00 H new ATOM 0 HB2 ALA A 9 36.304 20.306 24.218 1.00 0.00 H new ATOM 0 HB3 ALA A 9 35.903 19.791 25.873 1.00 0.00 H new ATOM 123 N GLY A 10 34.885 22.055 27.854 1.00 0.00 N ATOM 124 CA GLY A 10 34.073 22.385 29.029 1.00 0.00 C ATOM 125 C GLY A 10 34.286 23.818 29.493 1.00 0.00 C ATOM 126 O GLY A 10 34.948 24.044 30.504 1.00 0.00 O ATOM 0 H GLY A 10 35.808 21.708 28.114 1.00 0.00 H new ATOM 0 HA2 GLY A 10 33.019 22.234 28.794 1.00 0.00 H new ATOM 0 HA3 GLY A 10 34.319 21.702 29.842 1.00 0.00 H new ATOM 130 N TRP A 11 33.728 24.773 28.745 1.00 0.00 N ATOM 131 CA TRP A 11 33.922 26.213 28.974 1.00 0.00 C ATOM 132 C TRP A 11 32.718 27.010 29.505 1.00 0.00 C ATOM 133 O TRP A 11 32.921 28.115 30.008 1.00 0.00 O ATOM 134 CB TRP A 11 34.407 26.853 27.666 1.00 0.00 C ATOM 135 CG TRP A 11 33.420 26.929 26.545 1.00 0.00 C ATOM 136 CD1 TRP A 11 33.241 25.992 25.589 1.00 0.00 C ATOM 137 CD2 TRP A 11 32.505 28.021 26.214 1.00 0.00 C ATOM 138 NE1 TRP A 11 32.286 26.425 24.690 1.00 0.00 N ATOM 139 CE2 TRP A 11 31.812 27.679 25.014 1.00 0.00 C ATOM 140 CE3 TRP A 11 32.222 29.282 26.786 1.00 0.00 C ATOM 141 CZ2 TRP A 11 30.897 28.551 24.404 1.00 0.00 C ATOM 142 CZ3 TRP A 11 31.308 30.165 26.179 1.00 0.00 C ATOM 143 CH2 TRP A 11 30.649 29.803 24.991 1.00 0.00 C ATOM 0 H TRP A 11 33.120 24.569 27.952 1.00 0.00 H new ATOM 0 HA TRP A 11 34.652 26.267 29.782 1.00 0.00 H new ATOM 0 HB2 TRP A 11 34.747 27.865 27.888 1.00 0.00 H new ATOM 0 HB3 TRP A 11 35.276 26.295 27.316 1.00 0.00 H new ATOM 0 HD1 TRP A 11 33.764 25.049 25.536 1.00 0.00 H new ATOM 0 HE1 TRP A 11 31.970 25.884 23.885 1.00 0.00 H new ATOM 0 HE3 TRP A 11 32.714 29.573 27.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 30.390 28.263 23.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 31.112 31.127 26.629 1.00 0.00 H new ATOM 0 HH2 TRP A 11 29.952 30.487 24.530 1.00 0.00 H new ATOM 154 N GLU A 12 31.484 26.516 29.373 1.00 0.00 N ATOM 155 CA GLU A 12 30.280 27.330 29.606 1.00 0.00 C ATOM 156 C GLU A 12 29.875 27.311 31.087 1.00 0.00 C ATOM 157 O GLU A 12 29.538 26.250 31.604 1.00 0.00 O ATOM 158 CB GLU A 12 29.122 26.850 28.702 1.00 0.00 C ATOM 159 CG GLU A 12 28.507 27.984 27.871 1.00 0.00 C ATOM 160 CD GLU A 12 27.826 29.066 28.709 1.00 0.00 C ATOM 161 OE1 GLU A 12 26.634 28.905 29.058 1.00 0.00 O ATOM 162 OE2 GLU A 12 28.434 30.135 28.951 1.00 0.00 O ATOM 0 H GLU A 12 31.288 25.552 29.105 1.00 0.00 H new ATOM 0 HA GLU A 12 30.510 28.363 29.345 1.00 0.00 H new ATOM 0 HB2 GLU A 12 29.489 26.072 28.032 1.00 0.00 H new ATOM 0 HB3 GLU A 12 28.347 26.398 29.321 1.00 0.00 H new ATOM 0 HG2 GLU A 12 29.289 28.444 27.267 1.00 0.00 H new ATOM 0 HG3 GLU A 12 27.778 27.561 27.180 1.00 0.00 H new ATOM 169 N VAL A 13 29.895 28.448 31.788 1.00 0.00 N ATOM 170 CA VAL A 13 29.575 28.485 33.227 1.00 0.00 C ATOM 171 C VAL A 13 28.104 28.160 33.504 1.00 0.00 C ATOM 172 O VAL A 13 27.186 28.723 32.899 1.00 0.00 O ATOM 173 CB VAL A 13 29.994 29.802 33.906 1.00 0.00 C ATOM 174 CG1 VAL A 13 29.171 31.021 33.471 1.00 0.00 C ATOM 175 CG2 VAL A 13 30.012 29.690 35.434 1.00 0.00 C ATOM 0 H VAL A 13 30.128 29.357 31.388 1.00 0.00 H new ATOM 0 HA VAL A 13 30.176 27.696 33.679 1.00 0.00 H new ATOM 0 HB VAL A 13 31.013 29.973 33.557 1.00 0.00 H new ATOM 0 HG11 VAL A 13 29.529 31.907 33.995 1.00 0.00 H new ATOM 0 HG12 VAL A 13 29.277 31.167 32.396 1.00 0.00 H new ATOM 0 HG13 VAL A 13 28.121 30.856 33.713 1.00 0.00 H new ATOM 0 HG21 VAL A 13 30.314 30.645 35.865 1.00 0.00 H new ATOM 0 HG22 VAL A 13 29.016 29.429 35.791 1.00 0.00 H new ATOM 0 HG23 VAL A 13 30.719 28.917 35.734 1.00 0.00 H new ATOM 185 N ARG A 14 27.897 27.253 34.456 1.00 0.00 N ATOM 186 CA ARG A 14 26.614 26.666 34.818 1.00 0.00 C ATOM 187 C ARG A 14 26.470 26.525 36.340 1.00 0.00 C ATOM 188 O ARG A 14 27.450 26.542 37.081 1.00 0.00 O ATOM 189 CB ARG A 14 26.507 25.279 34.151 1.00 0.00 C ATOM 190 CG ARG A 14 26.044 25.309 32.687 1.00 0.00 C ATOM 191 CD ARG A 14 24.525 25.463 32.603 1.00 0.00 C ATOM 192 NE ARG A 14 24.060 25.495 31.210 1.00 0.00 N ATOM 193 CZ ARG A 14 22.836 25.217 30.781 1.00 0.00 C ATOM 194 NH1 ARG A 14 21.833 24.957 31.588 1.00 0.00 N ATOM 195 NH2 ARG A 14 22.585 25.189 29.496 1.00 0.00 N ATOM 0 H ARG A 14 28.662 26.890 35.024 1.00 0.00 H new ATOM 0 HA ARG A 14 25.814 27.321 34.472 1.00 0.00 H new ATOM 0 HB2 ARG A 14 27.480 24.790 34.201 1.00 0.00 H new ATOM 0 HB3 ARG A 14 25.812 24.666 34.726 1.00 0.00 H new ATOM 0 HG2 ARG A 14 26.528 26.134 32.164 1.00 0.00 H new ATOM 0 HG3 ARG A 14 26.350 24.391 32.185 1.00 0.00 H new ATOM 0 HD2 ARG A 14 24.046 24.637 33.128 1.00 0.00 H new ATOM 0 HD3 ARG A 14 24.223 26.380 33.109 1.00 0.00 H new ATOM 0 HE ARG A 14 24.746 25.757 30.502 1.00 0.00 H new ATOM 0 HH11 ARG A 14 21.976 24.963 32.598 1.00 0.00 H new ATOM 0 HH12 ARG A 14 20.911 24.749 31.205 1.00 0.00 H new ATOM 0 HH21 ARG A 14 23.330 25.381 28.827 1.00 0.00 H new ATOM 0 HH22 ARG A 14 21.644 24.975 29.165 1.00 0.00 H new ATOM 209 N HIS A 15 25.229 26.357 36.796 1.00 0.00 N ATOM 210 CA HIS A 15 24.863 26.196 38.208 1.00 0.00 C ATOM 211 C HIS A 15 23.704 25.181 38.389 1.00 0.00 C ATOM 212 O HIS A 15 23.008 24.840 37.425 1.00 0.00 O ATOM 213 CB HIS A 15 24.539 27.591 38.776 1.00 0.00 C ATOM 214 CG HIS A 15 24.917 27.770 40.224 1.00 0.00 C ATOM 215 ND1 HIS A 15 24.624 26.875 41.253 1.00 0.00 N ATOM 216 CD2 HIS A 15 25.590 28.840 40.736 1.00 0.00 C ATOM 217 CE1 HIS A 15 25.122 27.442 42.364 1.00 0.00 C ATOM 218 NE2 HIS A 15 25.709 28.615 42.090 1.00 0.00 N ATOM 0 H HIS A 15 24.421 26.328 36.174 1.00 0.00 H new ATOM 0 HA HIS A 15 25.696 25.772 38.769 1.00 0.00 H new ATOM 0 HB2 HIS A 15 25.057 28.343 38.181 1.00 0.00 H new ATOM 0 HB3 HIS A 15 23.471 27.777 38.665 1.00 0.00 H new ATOM 0 HD2 HIS A 15 25.957 29.695 40.188 1.00 0.00 H new ATOM 0 HE1 HIS A 15 25.058 27.008 43.351 1.00 0.00 H new ATOM 0 HE2 HIS A 15 26.163 29.232 42.764 1.00 0.00 H new ATOM 226 N SER A 16 23.474 24.709 39.615 1.00 0.00 N ATOM 227 CA SER A 16 22.574 23.583 39.941 1.00 0.00 C ATOM 228 C SER A 16 21.682 23.864 41.168 1.00 0.00 C ATOM 229 O SER A 16 21.828 24.891 41.838 1.00 0.00 O ATOM 230 CB SER A 16 23.405 22.314 40.189 1.00 0.00 C ATOM 231 OG SER A 16 24.131 21.937 39.035 1.00 0.00 O ATOM 0 H SER A 16 23.920 25.108 40.441 1.00 0.00 H new ATOM 0 HA SER A 16 21.911 23.446 39.087 1.00 0.00 H new ATOM 0 HB2 SER A 16 24.095 22.485 41.015 1.00 0.00 H new ATOM 0 HB3 SER A 16 22.746 21.499 40.488 1.00 0.00 H new ATOM 0 HG SER A 16 24.651 21.128 39.225 1.00 0.00 H new ATOM 237 N ASN A 17 20.742 22.964 41.477 1.00 0.00 N ATOM 238 CA ASN A 17 19.699 23.172 42.494 1.00 0.00 C ATOM 239 C ASN A 17 20.129 22.907 43.955 1.00 0.00 C ATOM 240 O ASN A 17 19.379 23.254 44.868 1.00 0.00 O ATOM 241 CB ASN A 17 18.454 22.341 42.128 1.00 0.00 C ATOM 242 CG ASN A 17 18.611 20.846 42.399 1.00 0.00 C ATOM 243 OD1 ASN A 17 19.608 20.226 42.048 1.00 0.00 O ATOM 244 ND2 ASN A 17 17.633 20.210 43.009 1.00 0.00 N ATOM 0 H ASN A 17 20.682 22.054 41.021 1.00 0.00 H new ATOM 0 HA ASN A 17 19.475 24.239 42.473 1.00 0.00 H new ATOM 0 HB2 ASN A 17 17.600 22.716 42.692 1.00 0.00 H new ATOM 0 HB3 ASN A 17 18.228 22.488 41.072 1.00 0.00 H new ATOM 0 HD21 ASN A 17 17.708 19.208 43.186 1.00 0.00 H new ATOM 0 HD22 ASN A 17 16.800 20.719 43.304 1.00 0.00 H new ATOM 251 N SER A 18 21.297 22.299 44.194 1.00 0.00 N ATOM 252 CA SER A 18 21.796 21.973 45.546 1.00 0.00 C ATOM 253 C SER A 18 23.224 22.497 45.823 1.00 0.00 C ATOM 254 O SER A 18 23.536 22.883 46.953 1.00 0.00 O ATOM 255 CB SER A 18 21.733 20.447 45.715 1.00 0.00 C ATOM 256 OG SER A 18 21.908 20.038 47.059 1.00 0.00 O ATOM 0 H SER A 18 21.933 22.014 43.449 1.00 0.00 H new ATOM 0 HA SER A 18 21.162 22.478 46.275 1.00 0.00 H new ATOM 0 HB2 SER A 18 20.771 20.085 45.352 1.00 0.00 H new ATOM 0 HB3 SER A 18 22.502 19.985 45.096 1.00 0.00 H new ATOM 0 HG SER A 18 21.858 19.061 47.113 1.00 0.00 H new ATOM 262 N LYS A 19 24.090 22.572 44.802 1.00 0.00 N ATOM 263 CA LYS A 19 25.414 23.222 44.847 1.00 0.00 C ATOM 264 C LYS A 19 25.315 24.728 45.190 1.00 0.00 C ATOM 265 O LYS A 19 24.294 25.360 44.908 1.00 0.00 O ATOM 266 CB LYS A 19 26.082 22.987 43.474 1.00 0.00 C ATOM 267 CG LYS A 19 27.601 23.214 43.434 1.00 0.00 C ATOM 268 CD LYS A 19 28.148 22.909 42.028 1.00 0.00 C ATOM 269 CE LYS A 19 29.625 23.298 41.866 1.00 0.00 C ATOM 270 NZ LYS A 19 30.546 22.332 42.505 1.00 0.00 N ATOM 0 H LYS A 19 23.883 22.168 43.888 1.00 0.00 H new ATOM 0 HA LYS A 19 26.018 22.788 45.644 1.00 0.00 H new ATOM 0 HB2 LYS A 19 25.876 21.964 43.159 1.00 0.00 H new ATOM 0 HB3 LYS A 19 25.614 23.646 42.743 1.00 0.00 H new ATOM 0 HG2 LYS A 19 27.829 24.245 43.705 1.00 0.00 H new ATOM 0 HG3 LYS A 19 28.091 22.575 44.169 1.00 0.00 H new ATOM 0 HD2 LYS A 19 28.033 21.845 41.821 1.00 0.00 H new ATOM 0 HD3 LYS A 19 27.553 23.444 41.288 1.00 0.00 H new ATOM 0 HE2 LYS A 19 29.862 23.372 40.805 1.00 0.00 H new ATOM 0 HE3 LYS A 19 29.785 24.286 42.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 31.528 22.644 42.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 30.342 22.279 43.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 30.416 21.393 42.077 1.00 0.00 H new ATOM 284 N ASN A 20 26.373 25.329 45.752 1.00 0.00 N ATOM 285 CA ASN A 20 26.450 26.776 46.035 1.00 0.00 C ATOM 286 C ASN A 20 27.387 27.542 45.076 1.00 0.00 C ATOM 287 O ASN A 20 27.140 28.723 44.818 1.00 0.00 O ATOM 288 CB ASN A 20 26.882 26.988 47.496 1.00 0.00 C ATOM 289 CG ASN A 20 25.802 26.530 48.467 1.00 0.00 C ATOM 290 OD1 ASN A 20 25.862 25.440 49.019 1.00 0.00 O ATOM 291 ND2 ASN A 20 24.767 27.322 48.679 1.00 0.00 N ATOM 0 H ASN A 20 27.213 24.820 46.028 1.00 0.00 H new ATOM 0 HA ASN A 20 25.454 27.189 45.872 1.00 0.00 H new ATOM 0 HB2 ASN A 20 27.803 26.438 47.688 1.00 0.00 H new ATOM 0 HB3 ASN A 20 27.100 28.043 47.663 1.00 0.00 H new ATOM 0 HD21 ASN A 20 24.017 27.025 49.303 1.00 0.00 H new ATOM 0 HD22 ASN A 20 24.717 28.231 48.218 1.00 0.00 H new ATOM 298 N LEU A 21 28.417 26.883 44.527 1.00 0.00 N ATOM 299 CA LEU A 21 29.346 27.428 43.518 1.00 0.00 C ATOM 300 C LEU A 21 28.925 27.050 42.081 1.00 0.00 C ATOM 301 O LEU A 21 28.214 26.057 41.911 1.00 0.00 O ATOM 302 CB LEU A 21 30.772 26.893 43.792 1.00 0.00 C ATOM 303 CG LEU A 21 31.646 27.815 44.663 1.00 0.00 C ATOM 304 CD1 LEU A 21 31.073 28.008 46.070 1.00 0.00 C ATOM 305 CD2 LEU A 21 33.061 27.228 44.756 1.00 0.00 C ATOM 0 H LEU A 21 28.637 25.920 44.781 1.00 0.00 H new ATOM 0 HA LEU A 21 29.324 28.515 43.597 1.00 0.00 H new ATOM 0 HB2 LEU A 21 30.694 25.921 44.280 1.00 0.00 H new ATOM 0 HB3 LEU A 21 31.275 26.732 42.838 1.00 0.00 H new ATOM 0 HG LEU A 21 31.668 28.796 44.188 1.00 0.00 H new ATOM 0 HD11 LEU A 21 31.727 28.666 46.642 1.00 0.00 H new ATOM 0 HD12 LEU A 21 30.081 28.454 46.001 1.00 0.00 H new ATOM 0 HD13 LEU A 21 31.003 27.042 46.570 1.00 0.00 H new ATOM 0 HD21 LEU A 21 33.684 27.877 45.372 1.00 0.00 H new ATOM 0 HD22 LEU A 21 33.015 26.236 45.206 1.00 0.00 H new ATOM 0 HD23 LEU A 21 33.490 27.154 43.757 1.00 0.00 H new ATOM 317 N PRO A 22 29.408 27.772 41.050 1.00 0.00 N ATOM 318 CA PRO A 22 29.283 27.362 39.658 1.00 0.00 C ATOM 319 C PRO A 22 30.321 26.291 39.269 1.00 0.00 C ATOM 320 O PRO A 22 31.238 25.952 40.023 1.00 0.00 O ATOM 321 CB PRO A 22 29.478 28.653 38.853 1.00 0.00 C ATOM 322 CG PRO A 22 30.495 29.418 39.699 1.00 0.00 C ATOM 323 CD PRO A 22 30.099 29.055 41.133 1.00 0.00 C ATOM 0 HA PRO A 22 28.317 26.895 39.464 1.00 0.00 H new ATOM 0 HB2 PRO A 22 29.853 28.453 37.849 1.00 0.00 H new ATOM 0 HB3 PRO A 22 28.546 29.206 38.740 1.00 0.00 H new ATOM 0 HG2 PRO A 22 31.517 29.113 39.474 1.00 0.00 H new ATOM 0 HG3 PRO A 22 30.437 30.492 39.525 1.00 0.00 H new ATOM 0 HD2 PRO A 22 30.978 28.983 41.774 1.00 0.00 H new ATOM 0 HD3 PRO A 22 29.452 29.819 41.564 1.00 0.00 H new ATOM 331 N TYR A 23 30.174 25.794 38.042 1.00 0.00 N ATOM 332 CA TYR A 23 31.078 24.885 37.327 1.00 0.00 C ATOM 333 C TYR A 23 31.026 25.176 35.818 1.00 0.00 C ATOM 334 O TYR A 23 30.000 25.613 35.307 1.00 0.00 O ATOM 335 CB TYR A 23 30.675 23.422 37.589 1.00 0.00 C ATOM 336 CG TYR A 23 29.227 23.104 37.247 1.00 0.00 C ATOM 337 CD1 TYR A 23 28.230 23.349 38.211 1.00 0.00 C ATOM 338 CD2 TYR A 23 28.861 22.630 35.971 1.00 0.00 C ATOM 339 CE1 TYR A 23 26.880 23.111 37.916 1.00 0.00 C ATOM 340 CE2 TYR A 23 27.502 22.400 35.664 1.00 0.00 C ATOM 341 CZ TYR A 23 26.510 22.625 36.642 1.00 0.00 C ATOM 342 OH TYR A 23 25.200 22.387 36.358 1.00 0.00 O ATOM 0 H TYR A 23 29.359 26.032 37.476 1.00 0.00 H new ATOM 0 HA TYR A 23 32.094 25.043 37.688 1.00 0.00 H new ATOM 0 HB2 TYR A 23 31.326 22.768 37.009 1.00 0.00 H new ATOM 0 HB3 TYR A 23 30.847 23.192 38.640 1.00 0.00 H new ATOM 0 HD1 TYR A 23 28.507 23.723 39.185 1.00 0.00 H new ATOM 0 HD2 TYR A 23 29.621 22.442 35.227 1.00 0.00 H new ATOM 0 HE1 TYR A 23 26.123 23.299 38.663 1.00 0.00 H new ATOM 0 HE2 TYR A 23 27.222 22.052 34.681 1.00 0.00 H new ATOM 0 HH TYR A 23 24.711 22.215 37.190 1.00 0.00 H new ATOM 352 N TYR A 24 32.101 24.904 35.080 1.00 0.00 N ATOM 353 CA TYR A 24 32.106 25.017 33.619 1.00 0.00 C ATOM 354 C TYR A 24 31.616 23.708 32.970 1.00 0.00 C ATOM 355 O TYR A 24 31.910 22.607 33.446 1.00 0.00 O ATOM 356 CB TYR A 24 33.500 25.442 33.134 1.00 0.00 C ATOM 357 CG TYR A 24 34.045 26.687 33.819 1.00 0.00 C ATOM 358 CD1 TYR A 24 33.489 27.949 33.529 1.00 0.00 C ATOM 359 CD2 TYR A 24 35.076 26.584 34.778 1.00 0.00 C ATOM 360 CE1 TYR A 24 33.943 29.098 34.205 1.00 0.00 C ATOM 361 CE2 TYR A 24 35.538 27.731 35.455 1.00 0.00 C ATOM 362 CZ TYR A 24 34.964 28.993 35.177 1.00 0.00 C ATOM 363 OH TYR A 24 35.382 30.107 35.842 1.00 0.00 O ATOM 0 H TYR A 24 32.991 24.600 35.474 1.00 0.00 H new ATOM 0 HA TYR A 24 31.406 25.793 33.308 1.00 0.00 H new ATOM 0 HB2 TYR A 24 34.195 24.618 33.295 1.00 0.00 H new ATOM 0 HB3 TYR A 24 33.460 25.620 32.059 1.00 0.00 H new ATOM 0 HD1 TYR A 24 32.711 28.035 32.785 1.00 0.00 H new ATOM 0 HD2 TYR A 24 35.513 25.621 34.994 1.00 0.00 H new ATOM 0 HE1 TYR A 24 33.510 30.062 33.980 1.00 0.00 H new ATOM 0 HE2 TYR A 24 36.329 27.646 36.185 1.00 0.00 H new ATOM 0 HH TYR A 24 36.088 29.864 36.476 1.00 0.00 H new ATOM 373 N PHE A 25 30.845 23.818 31.891 1.00 0.00 N ATOM 374 CA PHE A 25 30.127 22.724 31.238 1.00 0.00 C ATOM 375 C PHE A 25 30.498 22.614 29.756 1.00 0.00 C ATOM 376 O PHE A 25 30.745 23.622 29.087 1.00 0.00 O ATOM 377 CB PHE A 25 28.624 22.989 31.390 1.00 0.00 C ATOM 378 CG PHE A 25 27.733 21.903 30.822 1.00 0.00 C ATOM 379 CD1 PHE A 25 27.494 20.731 31.565 1.00 0.00 C ATOM 380 CD2 PHE A 25 27.158 22.052 29.543 1.00 0.00 C ATOM 381 CE1 PHE A 25 26.675 19.717 31.039 1.00 0.00 C ATOM 382 CE2 PHE A 25 26.329 21.041 29.025 1.00 0.00 C ATOM 383 CZ PHE A 25 26.092 19.874 29.770 1.00 0.00 C ATOM 0 H PHE A 25 30.696 24.713 31.426 1.00 0.00 H new ATOM 0 HA PHE A 25 30.402 21.779 31.707 1.00 0.00 H new ATOM 0 HB2 PHE A 25 28.395 23.112 32.449 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.383 23.932 30.900 1.00 0.00 H new ATOM 0 HD1 PHE A 25 27.941 20.611 32.541 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.354 22.941 28.962 1.00 0.00 H new ATOM 0 HE1 PHE A 25 26.494 18.818 31.610 1.00 0.00 H new ATOM 0 HE2 PHE A 25 25.874 21.162 28.053 1.00 0.00 H new ATOM 0 HZ PHE A 25 25.461 19.096 29.367 1.00 0.00 H new ATOM 393 N ASN A 26 30.517 21.383 29.243 1.00 0.00 N ATOM 394 CA ASN A 26 30.789 21.086 27.840 1.00 0.00 C ATOM 395 C ASN A 26 29.476 20.876 27.041 1.00 0.00 C ATOM 396 O ASN A 26 28.757 19.900 27.287 1.00 0.00 O ATOM 397 CB ASN A 26 31.744 19.882 27.794 1.00 0.00 C ATOM 398 CG ASN A 26 32.130 19.447 26.383 1.00 0.00 C ATOM 399 OD1 ASN A 26 31.554 19.858 25.384 1.00 0.00 O ATOM 400 ND2 ASN A 26 33.130 18.603 26.250 1.00 0.00 N ATOM 0 H ASN A 26 30.340 20.550 29.804 1.00 0.00 H new ATOM 0 HA ASN A 26 31.274 21.929 27.349 1.00 0.00 H new ATOM 0 HB2 ASN A 26 32.650 20.129 28.347 1.00 0.00 H new ATOM 0 HB3 ASN A 26 31.277 19.041 28.307 1.00 0.00 H new ATOM 0 HD21 ASN A 26 33.419 18.297 25.321 1.00 0.00 H new ATOM 0 HD22 ASN A 26 33.617 18.255 27.076 1.00 0.00 H new ATOM 407 N PRO A 27 29.138 21.763 26.076 1.00 0.00 N ATOM 408 CA PRO A 27 27.941 21.624 25.244 1.00 0.00 C ATOM 409 C PRO A 27 28.025 20.471 24.238 1.00 0.00 C ATOM 410 O PRO A 27 26.994 19.878 23.930 1.00 0.00 O ATOM 411 CB PRO A 27 27.784 22.960 24.512 1.00 0.00 C ATOM 412 CG PRO A 27 29.203 23.525 24.466 1.00 0.00 C ATOM 413 CD PRO A 27 29.807 23.024 25.775 1.00 0.00 C ATOM 0 HA PRO A 27 27.084 21.385 25.874 1.00 0.00 H new ATOM 0 HB2 PRO A 27 27.377 22.821 23.510 1.00 0.00 H new ATOM 0 HB3 PRO A 27 27.105 23.628 25.042 1.00 0.00 H new ATOM 0 HG2 PRO A 27 29.756 23.161 23.600 1.00 0.00 H new ATOM 0 HG3 PRO A 27 29.204 24.614 24.410 1.00 0.00 H new ATOM 0 HD2 PRO A 27 30.883 22.880 25.677 1.00 0.00 H new ATOM 0 HD3 PRO A 27 29.654 23.747 26.576 1.00 0.00 H new ATOM 421 N ALA A 28 29.218 20.119 23.746 1.00 0.00 N ATOM 422 CA ALA A 28 29.385 19.088 22.727 1.00 0.00 C ATOM 423 C ALA A 28 29.291 17.668 23.320 1.00 0.00 C ATOM 424 O ALA A 28 28.502 16.846 22.840 1.00 0.00 O ATOM 425 CB ALA A 28 30.727 19.335 22.021 1.00 0.00 C ATOM 0 H ALA A 28 30.095 20.545 24.047 1.00 0.00 H new ATOM 0 HA ALA A 28 28.573 19.150 22.002 1.00 0.00 H new ATOM 0 HB1 ALA A 28 30.879 18.577 21.252 1.00 0.00 H new ATOM 0 HB2 ALA A 28 30.719 20.323 21.560 1.00 0.00 H new ATOM 0 HB3 ALA A 28 31.537 19.280 22.749 1.00 0.00 H new ATOM 431 N THR A 29 30.059 17.395 24.381 1.00 0.00 N ATOM 432 CA THR A 29 30.078 16.120 25.121 1.00 0.00 C ATOM 433 C THR A 29 29.630 16.400 26.547 1.00 0.00 C ATOM 434 O THR A 29 30.241 17.235 27.198 1.00 0.00 O ATOM 435 CB THR A 29 31.497 15.530 25.153 1.00 0.00 C ATOM 436 OG1 THR A 29 32.034 15.496 23.851 1.00 0.00 O ATOM 437 CG2 THR A 29 31.498 14.098 25.692 1.00 0.00 C ATOM 0 H THR A 29 30.710 18.079 24.765 1.00 0.00 H new ATOM 0 HA THR A 29 29.417 15.406 24.631 1.00 0.00 H new ATOM 0 HB THR A 29 32.094 16.166 25.807 1.00 0.00 H new ATOM 0 HG1 THR A 29 32.939 15.120 23.880 1.00 0.00 H new ATOM 0 HG21 THR A 29 32.518 13.713 25.700 1.00 0.00 H new ATOM 0 HG22 THR A 29 31.099 14.091 26.706 1.00 0.00 H new ATOM 0 HG23 THR A 29 30.878 13.469 25.054 1.00 0.00 H new ATOM 445 N ARG A 30 28.614 15.712 27.074 1.00 0.00 N ATOM 446 CA ARG A 30 28.171 15.904 28.462 1.00 0.00 C ATOM 447 C ARG A 30 29.301 15.515 29.430 1.00 0.00 C ATOM 448 O ARG A 30 29.642 14.334 29.570 1.00 0.00 O ATOM 449 CB ARG A 30 26.848 15.162 28.737 1.00 0.00 C ATOM 450 CG ARG A 30 25.672 15.821 27.995 1.00 0.00 C ATOM 451 CD ARG A 30 24.330 15.108 28.211 1.00 0.00 C ATOM 452 NE ARG A 30 24.255 13.854 27.449 1.00 0.00 N ATOM 453 CZ ARG A 30 24.280 12.616 27.920 1.00 0.00 C ATOM 454 NH1 ARG A 30 24.313 12.335 29.202 1.00 0.00 N ATOM 455 NH2 ARG A 30 24.292 11.602 27.089 1.00 0.00 N ATOM 0 H ARG A 30 28.079 15.013 26.559 1.00 0.00 H new ATOM 0 HA ARG A 30 27.954 16.959 28.629 1.00 0.00 H new ATOM 0 HB2 ARG A 30 26.940 14.122 28.425 1.00 0.00 H new ATOM 0 HB3 ARG A 30 26.648 15.157 29.808 1.00 0.00 H new ATOM 0 HG2 ARG A 30 25.581 16.856 28.324 1.00 0.00 H new ATOM 0 HG3 ARG A 30 25.894 15.844 26.928 1.00 0.00 H new ATOM 0 HD2 ARG A 30 24.195 14.898 29.272 1.00 0.00 H new ATOM 0 HD3 ARG A 30 23.515 15.766 27.910 1.00 0.00 H new ATOM 0 HE ARG A 30 24.174 13.948 26.437 1.00 0.00 H new ATOM 0 HH11 ARG A 30 24.320 13.089 29.889 1.00 0.00 H new ATOM 0 HH12 ARG A 30 24.331 11.363 29.511 1.00 0.00 H new ATOM 0 HH21 ARG A 30 24.282 11.767 26.083 1.00 0.00 H new ATOM 0 HH22 ARG A 30 24.311 10.648 27.449 1.00 0.00 H new ATOM 469 N GLU A 31 29.890 16.544 30.040 1.00 0.00 N ATOM 470 CA GLU A 31 31.067 16.555 30.919 1.00 0.00 C ATOM 471 C GLU A 31 31.260 17.980 31.490 1.00 0.00 C ATOM 472 O GLU A 31 30.704 18.952 30.975 1.00 0.00 O ATOM 473 CB GLU A 31 32.320 16.050 30.162 1.00 0.00 C ATOM 474 CG GLU A 31 33.619 15.919 30.984 1.00 0.00 C ATOM 475 CD GLU A 31 33.490 14.989 32.190 1.00 0.00 C ATOM 476 OE1 GLU A 31 32.801 15.355 33.172 1.00 0.00 O ATOM 477 OE2 GLU A 31 34.072 13.880 32.171 1.00 0.00 O ATOM 0 H GLU A 31 29.520 17.487 29.921 1.00 0.00 H new ATOM 0 HA GLU A 31 30.913 15.872 31.754 1.00 0.00 H new ATOM 0 HB2 GLU A 31 32.089 15.075 29.733 1.00 0.00 H new ATOM 0 HB3 GLU A 31 32.511 16.727 29.329 1.00 0.00 H new ATOM 0 HG2 GLU A 31 34.414 15.551 30.335 1.00 0.00 H new ATOM 0 HG3 GLU A 31 33.922 16.908 31.329 1.00 0.00 H new ATOM 484 N SER A 32 32.041 18.122 32.561 1.00 0.00 N ATOM 485 CA SER A 32 32.314 19.401 33.238 1.00 0.00 C ATOM 486 C SER A 32 33.815 19.698 33.451 1.00 0.00 C ATOM 487 O SER A 32 34.692 18.881 33.155 1.00 0.00 O ATOM 488 CB SER A 32 31.570 19.425 34.584 1.00 0.00 C ATOM 489 OG SER A 32 31.864 18.264 35.351 1.00 0.00 O ATOM 0 H SER A 32 32.517 17.332 32.998 1.00 0.00 H new ATOM 0 HA SER A 32 31.953 20.189 32.578 1.00 0.00 H new ATOM 0 HB2 SER A 32 31.853 20.316 35.144 1.00 0.00 H new ATOM 0 HB3 SER A 32 30.496 19.487 34.409 1.00 0.00 H new ATOM 0 HG SER A 32 31.381 18.303 36.203 1.00 0.00 H new ATOM 495 N ARG A 33 34.112 20.892 33.982 1.00 0.00 N ATOM 496 CA ARG A 33 35.429 21.375 34.396 1.00 0.00 C ATOM 497 C ARG A 33 35.255 22.395 35.534 1.00 0.00 C ATOM 498 O ARG A 33 34.267 23.123 35.582 1.00 0.00 O ATOM 499 CB ARG A 33 36.152 21.988 33.183 1.00 0.00 C ATOM 500 CG ARG A 33 37.682 21.975 33.321 1.00 0.00 C ATOM 501 CD ARG A 33 38.392 20.604 33.290 1.00 0.00 C ATOM 502 NE ARG A 33 37.528 19.496 32.848 1.00 0.00 N ATOM 503 CZ ARG A 33 37.866 18.384 32.217 1.00 0.00 C ATOM 504 NH1 ARG A 33 39.106 18.064 31.904 1.00 0.00 N ATOM 505 NH2 ARG A 33 36.897 17.557 31.909 1.00 0.00 N ATOM 0 H ARG A 33 33.386 21.591 34.143 1.00 0.00 H new ATOM 0 HA ARG A 33 36.040 20.553 34.768 1.00 0.00 H new ATOM 0 HB2 ARG A 33 35.870 21.439 32.284 1.00 0.00 H new ATOM 0 HB3 ARG A 33 35.814 23.016 33.048 1.00 0.00 H new ATOM 0 HG2 ARG A 33 38.097 22.586 32.519 1.00 0.00 H new ATOM 0 HG3 ARG A 33 37.939 22.465 34.260 1.00 0.00 H new ATOM 0 HD2 ARG A 33 39.254 20.667 32.626 1.00 0.00 H new ATOM 0 HD3 ARG A 33 38.773 20.380 34.286 1.00 0.00 H new ATOM 0 HE ARG A 33 36.535 19.600 33.057 1.00 0.00 H new ATOM 0 HH11 ARG A 33 39.872 18.691 32.150 1.00 0.00 H new ATOM 0 HH12 ARG A 33 39.299 17.189 31.416 1.00 0.00 H new ATOM 0 HH21 ARG A 33 35.934 17.785 32.156 1.00 0.00 H new ATOM 0 HH22 ARG A 33 37.106 16.686 31.422 1.00 0.00 H new ATOM 519 N TRP A 34 36.184 22.427 36.486 1.00 0.00 N ATOM 520 CA TRP A 34 35.900 22.928 37.847 1.00 0.00 C ATOM 521 C TRP A 34 36.620 24.247 38.168 1.00 0.00 C ATOM 522 O TRP A 34 36.175 25.013 39.023 1.00 0.00 O ATOM 523 CB TRP A 34 36.287 21.800 38.823 1.00 0.00 C ATOM 524 CG TRP A 34 35.895 20.445 38.306 1.00 0.00 C ATOM 525 CD1 TRP A 34 34.642 19.944 38.305 1.00 0.00 C ATOM 526 CD2 TRP A 34 36.688 19.534 37.480 1.00 0.00 C ATOM 527 NE1 TRP A 34 34.601 18.801 37.532 1.00 0.00 N ATOM 528 CE2 TRP A 34 35.819 18.538 36.943 1.00 0.00 C ATOM 529 CE3 TRP A 34 38.031 19.519 37.045 1.00 0.00 C ATOM 530 CZ2 TRP A 34 36.251 17.597 35.997 1.00 0.00 C ATOM 531 CZ3 TRP A 34 38.489 18.553 36.131 1.00 0.00 C ATOM 532 CH2 TRP A 34 37.599 17.604 35.595 1.00 0.00 C ATOM 0 H TRP A 34 37.145 22.113 36.349 1.00 0.00 H new ATOM 0 HA TRP A 34 34.842 23.175 37.938 1.00 0.00 H new ATOM 0 HB2 TRP A 34 37.363 21.824 38.996 1.00 0.00 H new ATOM 0 HB3 TRP A 34 35.806 21.973 39.786 1.00 0.00 H new ATOM 0 HD1 TRP A 34 33.800 20.372 38.829 1.00 0.00 H new ATOM 0 HE1 TRP A 34 33.770 18.222 37.411 1.00 0.00 H new ATOM 0 HE3 TRP A 34 38.719 20.262 37.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 35.559 16.878 35.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 39.529 18.540 35.839 1.00 0.00 H new ATOM 0 HH2 TRP A 34 37.951 16.881 34.875 1.00 0.00 H new ATOM 543 N GLU A 35 37.710 24.483 37.442 1.00 0.00 N ATOM 544 CA GLU A 35 38.704 25.557 37.503 1.00 0.00 C ATOM 545 C GLU A 35 39.373 25.613 36.106 1.00 0.00 C ATOM 546 O GLU A 35 39.202 24.651 35.344 1.00 0.00 O ATOM 547 CB GLU A 35 39.764 25.194 38.562 1.00 0.00 C ATOM 548 CG GLU A 35 39.254 25.197 40.009 1.00 0.00 C ATOM 549 CD GLU A 35 40.375 24.840 40.976 1.00 0.00 C ATOM 550 OE1 GLU A 35 41.458 25.467 40.911 1.00 0.00 O ATOM 551 OE2 GLU A 35 40.201 23.918 41.807 1.00 0.00 O ATOM 0 H GLU A 35 37.951 23.835 36.692 1.00 0.00 H new ATOM 0 HA GLU A 35 38.252 26.514 37.766 1.00 0.00 H new ATOM 0 HB2 GLU A 35 40.162 24.205 38.334 1.00 0.00 H new ATOM 0 HB3 GLU A 35 40.593 25.897 38.482 1.00 0.00 H new ATOM 0 HG2 GLU A 35 38.853 26.180 40.256 1.00 0.00 H new ATOM 0 HG3 GLU A 35 38.436 24.484 40.113 1.00 0.00 H new ATOM 558 N PRO A 36 40.157 26.644 35.731 1.00 0.00 N ATOM 559 CA PRO A 36 40.919 26.607 34.481 1.00 0.00 C ATOM 560 C PRO A 36 41.944 25.444 34.513 1.00 0.00 C ATOM 561 O PRO A 36 42.777 25.405 35.420 1.00 0.00 O ATOM 562 CB PRO A 36 41.565 27.991 34.341 1.00 0.00 C ATOM 563 CG PRO A 36 41.615 28.516 35.775 1.00 0.00 C ATOM 564 CD PRO A 36 40.369 27.908 36.422 1.00 0.00 C ATOM 0 HA PRO A 36 40.294 26.409 33.610 1.00 0.00 H new ATOM 0 HB2 PRO A 36 42.561 27.925 33.904 1.00 0.00 H new ATOM 0 HB3 PRO A 36 40.977 28.644 33.696 1.00 0.00 H new ATOM 0 HG2 PRO A 36 42.526 28.203 36.286 1.00 0.00 H new ATOM 0 HG3 PRO A 36 41.592 29.605 35.805 1.00 0.00 H new ATOM 0 HD2 PRO A 36 40.517 27.752 37.491 1.00 0.00 H new ATOM 0 HD3 PRO A 36 39.507 28.566 36.312 1.00 0.00 H new ATOM 572 N PRO A 37 41.872 24.468 33.580 1.00 0.00 N ATOM 573 CA PRO A 37 42.662 23.229 33.612 1.00 0.00 C ATOM 574 C PRO A 37 44.054 23.402 32.979 1.00 0.00 C ATOM 575 O PRO A 37 44.485 24.526 32.731 1.00 0.00 O ATOM 576 CB PRO A 37 41.794 22.214 32.866 1.00 0.00 C ATOM 577 CG PRO A 37 41.084 23.057 31.823 1.00 0.00 C ATOM 578 CD PRO A 37 40.874 24.393 32.522 1.00 0.00 C ATOM 0 HA PRO A 37 42.883 22.906 34.629 1.00 0.00 H new ATOM 0 HB2 PRO A 37 42.397 21.431 32.407 1.00 0.00 H new ATOM 0 HB3 PRO A 37 41.087 21.722 33.534 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.685 23.167 30.920 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.137 22.609 31.523 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.989 25.220 31.821 1.00 0.00 H new ATOM 0 HD3 PRO A 37 39.867 24.462 32.933 1.00 0.00 H new ATOM 586 N ALA A 38 44.780 22.306 32.721 1.00 0.00 N ATOM 587 CA ALA A 38 46.117 22.346 32.112 1.00 0.00 C ATOM 588 C ALA A 38 46.091 22.646 30.600 1.00 0.00 C ATOM 589 O ALA A 38 46.823 23.520 30.136 1.00 0.00 O ATOM 590 CB ALA A 38 46.825 21.017 32.403 1.00 0.00 C ATOM 0 H ALA A 38 44.455 21.362 32.930 1.00 0.00 H new ATOM 0 HA ALA A 38 46.668 23.174 32.558 1.00 0.00 H new ATOM 0 HB1 ALA A 38 47.820 21.030 31.958 1.00 0.00 H new ATOM 0 HB2 ALA A 38 46.912 20.879 33.481 1.00 0.00 H new ATOM 0 HB3 ALA A 38 46.247 20.196 31.978 1.00 0.00 H new ATOM 596 N ASP A 39 45.225 21.966 29.836 1.00 0.00 N ATOM 597 CA ASP A 39 45.131 22.067 28.364 1.00 0.00 C ATOM 598 C ASP A 39 44.718 23.461 27.848 1.00 0.00 C ATOM 599 O ASP A 39 44.824 23.747 26.654 1.00 0.00 O ATOM 600 CB ASP A 39 44.128 20.999 27.884 1.00 0.00 C ATOM 601 CG ASP A 39 44.183 20.708 26.379 1.00 0.00 C ATOM 602 OD1 ASP A 39 45.206 20.126 25.940 1.00 0.00 O ATOM 603 OD2 ASP A 39 43.183 20.977 25.668 1.00 0.00 O ATOM 0 H ASP A 39 44.550 21.311 30.231 1.00 0.00 H new ATOM 0 HA ASP A 39 46.128 21.901 27.956 1.00 0.00 H new ATOM 0 HB2 ASP A 39 44.314 20.073 28.428 1.00 0.00 H new ATOM 0 HB3 ASP A 39 43.120 21.323 28.142 1.00 0.00 H new ATOM 608 N THR A 40 44.238 24.318 28.753 1.00 0.00 N ATOM 609 CA THR A 40 43.612 25.625 28.514 1.00 0.00 C ATOM 610 C THR A 40 44.618 26.685 28.042 1.00 0.00 C ATOM 611 O THR A 40 45.828 26.494 28.132 1.00 0.00 O ATOM 612 CB THR A 40 42.861 25.969 29.800 1.00 0.00 C ATOM 613 OG1 THR A 40 41.719 26.711 29.530 1.00 0.00 O ATOM 614 CG2 THR A 40 43.677 26.757 30.817 1.00 0.00 C ATOM 0 H THR A 40 44.279 24.101 29.749 1.00 0.00 H new ATOM 0 HA THR A 40 42.908 25.595 27.682 1.00 0.00 H new ATOM 0 HB THR A 40 42.621 24.998 30.233 1.00 0.00 H new ATOM 0 HG1 THR A 40 41.627 26.829 28.562 1.00 0.00 H new ATOM 0 HG21 THR A 40 43.066 26.957 31.697 1.00 0.00 H new ATOM 0 HG22 THR A 40 44.553 26.178 31.108 1.00 0.00 H new ATOM 0 HG23 THR A 40 43.996 27.701 30.375 1.00 0.00 H new ATOM 622 N ASP A 41 44.132 27.805 27.505 1.00 0.00 N ATOM 623 CA ASP A 41 44.893 28.637 26.552 1.00 0.00 C ATOM 624 C ASP A 41 45.322 29.980 27.158 1.00 0.00 C ATOM 625 O ASP A 41 45.471 30.967 26.444 1.00 0.00 O ATOM 626 CB ASP A 41 44.042 28.850 25.292 1.00 0.00 C ATOM 627 CG ASP A 41 44.869 29.102 24.028 1.00 0.00 C ATOM 628 OD1 ASP A 41 45.780 28.295 23.726 1.00 0.00 O ATOM 629 OD2 ASP A 41 44.577 30.089 23.311 1.00 0.00 O ATOM 0 H ASP A 41 43.201 28.167 27.714 1.00 0.00 H new ATOM 0 HA ASP A 41 45.814 28.112 26.296 1.00 0.00 H new ATOM 0 HB2 ASP A 41 43.414 27.973 25.136 1.00 0.00 H new ATOM 0 HB3 ASP A 41 43.374 29.696 25.454 1.00 0.00 H new ATOM 634 N MET A 42 45.429 29.994 28.489 1.00 0.00 N ATOM 635 CA MET A 42 45.732 31.070 29.441 1.00 0.00 C ATOM 636 C MET A 42 46.116 32.468 28.927 1.00 0.00 C ATOM 637 O MET A 42 45.523 33.419 29.422 1.00 0.00 O ATOM 638 CB MET A 42 46.697 30.548 30.510 1.00 0.00 C ATOM 639 CG MET A 42 46.000 29.456 31.335 1.00 0.00 C ATOM 640 SD MET A 42 46.893 29.009 32.840 1.00 0.00 S ATOM 641 CE MET A 42 45.753 27.758 33.464 1.00 0.00 C ATOM 0 H MET A 42 45.284 29.122 28.998 1.00 0.00 H new ATOM 0 HA MET A 42 44.753 31.310 29.855 1.00 0.00 H new ATOM 0 HB2 MET A 42 47.595 30.147 30.041 1.00 0.00 H new ATOM 0 HB3 MET A 42 47.014 31.364 31.160 1.00 0.00 H new ATOM 0 HG2 MET A 42 45.000 29.797 31.603 1.00 0.00 H new ATOM 0 HG3 MET A 42 45.878 28.567 30.717 1.00 0.00 H new ATOM 0 HE1 MET A 42 45.809 27.725 34.552 1.00 0.00 H new ATOM 0 HE2 MET A 42 44.736 28.008 33.160 1.00 0.00 H new ATOM 0 HE3 MET A 42 46.024 26.784 33.057 1.00 0.00 H new ATOM 651 N GLU A 43 46.992 32.656 27.939 1.00 0.00 N ATOM 652 CA GLU A 43 47.217 33.972 27.306 1.00 0.00 C ATOM 653 C GLU A 43 45.912 34.594 26.747 1.00 0.00 C ATOM 654 O GLU A 43 45.636 35.772 26.987 1.00 0.00 O ATOM 655 CB GLU A 43 48.287 33.823 26.208 1.00 0.00 C ATOM 656 CG GLU A 43 48.858 35.162 25.711 1.00 0.00 C ATOM 657 CD GLU A 43 49.617 35.920 26.803 1.00 0.00 C ATOM 658 OE1 GLU A 43 50.514 35.325 27.444 1.00 0.00 O ATOM 659 OE2 GLU A 43 49.295 37.108 27.059 1.00 0.00 O ATOM 0 H GLU A 43 47.567 31.908 27.551 1.00 0.00 H new ATOM 0 HA GLU A 43 47.571 34.665 28.069 1.00 0.00 H new ATOM 0 HB2 GLU A 43 49.103 33.210 26.590 1.00 0.00 H new ATOM 0 HB3 GLU A 43 47.855 33.287 25.363 1.00 0.00 H new ATOM 0 HG2 GLU A 43 49.527 34.978 24.870 1.00 0.00 H new ATOM 0 HG3 GLU A 43 48.044 35.785 25.340 1.00 0.00 H new ATOM 666 N THR A 44 45.070 33.781 26.090 1.00 0.00 N ATOM 667 CA THR A 44 43.705 34.090 25.595 1.00 0.00 C ATOM 668 C THR A 44 42.669 34.179 26.706 1.00 0.00 C ATOM 669 O THR A 44 41.511 34.509 26.471 1.00 0.00 O ATOM 670 CB THR A 44 43.262 32.949 24.658 1.00 0.00 C ATOM 671 OG1 THR A 44 44.292 32.702 23.732 1.00 0.00 O ATOM 672 CG2 THR A 44 41.978 33.229 23.868 1.00 0.00 C ATOM 0 H THR A 44 45.337 32.821 25.872 1.00 0.00 H new ATOM 0 HA THR A 44 43.758 35.059 25.099 1.00 0.00 H new ATOM 0 HB THR A 44 43.054 32.096 25.304 1.00 0.00 H new ATOM 0 HG1 THR A 44 44.219 31.783 23.399 1.00 0.00 H new ATOM 0 HG21 THR A 44 41.745 32.371 23.237 1.00 0.00 H new ATOM 0 HG22 THR A 44 41.155 33.404 24.561 1.00 0.00 H new ATOM 0 HG23 THR A 44 42.120 34.111 23.244 1.00 0.00 H new ATOM 680 N LEU A 45 43.043 33.823 27.927 1.00 0.00 N ATOM 681 CA LEU A 45 42.093 33.528 28.983 1.00 0.00 C ATOM 682 C LEU A 45 42.298 34.432 30.197 1.00 0.00 C ATOM 683 O LEU A 45 41.328 34.712 30.883 1.00 0.00 O ATOM 684 CB LEU A 45 42.272 32.046 29.294 1.00 0.00 C ATOM 685 CG LEU A 45 41.113 31.320 29.959 1.00 0.00 C ATOM 686 CD1 LEU A 45 39.695 31.403 29.406 1.00 0.00 C ATOM 687 CD2 LEU A 45 41.519 29.868 30.229 1.00 0.00 C ATOM 0 H LEU A 45 44.018 33.731 28.211 1.00 0.00 H new ATOM 0 HA LEU A 45 41.066 33.728 28.676 1.00 0.00 H new ATOM 0 HB2 LEU A 45 42.499 31.532 28.360 1.00 0.00 H new ATOM 0 HB3 LEU A 45 43.147 31.941 29.936 1.00 0.00 H new ATOM 0 HG LEU A 45 40.973 31.920 30.858 1.00 0.00 H new ATOM 0 HD11 LEU A 45 39.025 30.812 30.031 1.00 0.00 H new ATOM 0 HD12 LEU A 45 39.366 32.442 29.403 1.00 0.00 H new ATOM 0 HD13 LEU A 45 39.678 31.014 28.388 1.00 0.00 H new ATOM 0 HD21 LEU A 45 40.692 29.342 30.706 1.00 0.00 H new ATOM 0 HD22 LEU A 45 41.766 29.378 29.287 1.00 0.00 H new ATOM 0 HD23 LEU A 45 42.388 29.849 30.886 1.00 0.00 H new ATOM 699 N LYS A 46 43.489 34.994 30.422 1.00 0.00 N ATOM 700 CA LYS A 46 43.678 36.122 31.340 1.00 0.00 C ATOM 701 C LYS A 46 42.797 37.309 30.908 1.00 0.00 C ATOM 702 O LYS A 46 42.087 37.875 31.736 1.00 0.00 O ATOM 703 CB LYS A 46 45.165 36.534 31.380 1.00 0.00 C ATOM 704 CG LYS A 46 45.994 35.981 32.553 1.00 0.00 C ATOM 705 CD LYS A 46 46.414 34.506 32.462 1.00 0.00 C ATOM 706 CE LYS A 46 45.331 33.479 32.827 1.00 0.00 C ATOM 707 NZ LYS A 46 45.015 33.504 34.274 1.00 0.00 N ATOM 0 H LYS A 46 44.350 34.680 29.973 1.00 0.00 H new ATOM 0 HA LYS A 46 43.379 35.816 32.343 1.00 0.00 H new ATOM 0 HB2 LYS A 46 45.634 36.215 30.449 1.00 0.00 H new ATOM 0 HB3 LYS A 46 45.218 37.622 31.407 1.00 0.00 H new ATOM 0 HG2 LYS A 46 46.895 36.587 32.649 1.00 0.00 H new ATOM 0 HG3 LYS A 46 45.420 36.116 33.470 1.00 0.00 H new ATOM 0 HD2 LYS A 46 46.750 34.306 31.445 1.00 0.00 H new ATOM 0 HD3 LYS A 46 47.271 34.351 33.117 1.00 0.00 H new ATOM 0 HE2 LYS A 46 44.427 33.685 32.254 1.00 0.00 H new ATOM 0 HE3 LYS A 46 45.667 32.481 32.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 44.357 32.731 34.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 45.890 33.384 34.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 44.576 34.415 34.518 1.00 0.00 H new ATOM 721 N MET A 47 42.750 37.589 29.596 1.00 0.00 N ATOM 722 CA MET A 47 41.851 38.571 28.961 1.00 0.00 C ATOM 723 C MET A 47 40.345 38.259 29.120 1.00 0.00 C ATOM 724 O MET A 47 39.508 39.101 28.802 1.00 0.00 O ATOM 725 CB MET A 47 42.251 38.747 27.479 1.00 0.00 C ATOM 726 CG MET A 47 42.105 37.490 26.620 1.00 0.00 C ATOM 727 SD MET A 47 42.290 37.744 24.832 1.00 0.00 S ATOM 728 CE MET A 47 44.070 38.073 24.760 1.00 0.00 C ATOM 0 H MET A 47 43.358 37.122 28.923 1.00 0.00 H new ATOM 0 HA MET A 47 41.983 39.513 29.493 1.00 0.00 H new ATOM 0 HB2 MET A 47 41.641 39.539 27.045 1.00 0.00 H new ATOM 0 HB3 MET A 47 43.287 39.082 27.435 1.00 0.00 H new ATOM 0 HG2 MET A 47 42.847 36.760 26.945 1.00 0.00 H new ATOM 0 HG3 MET A 47 41.124 37.053 26.808 1.00 0.00 H new ATOM 0 HE1 MET A 47 44.239 39.073 24.360 1.00 0.00 H new ATOM 0 HE2 MET A 47 44.493 38.007 25.762 1.00 0.00 H new ATOM 0 HE3 MET A 47 44.550 37.338 24.114 1.00 0.00 H new ATOM 738 N TYR A 48 39.989 37.071 29.625 1.00 0.00 N ATOM 739 CA TYR A 48 38.613 36.645 29.912 1.00 0.00 C ATOM 740 C TYR A 48 38.318 36.544 31.428 1.00 0.00 C ATOM 741 O TYR A 48 37.263 36.976 31.897 1.00 0.00 O ATOM 742 CB TYR A 48 38.418 35.284 29.224 1.00 0.00 C ATOM 743 CG TYR A 48 37.165 34.555 29.659 1.00 0.00 C ATOM 744 CD1 TYR A 48 35.900 34.979 29.219 1.00 0.00 C ATOM 745 CD2 TYR A 48 37.276 33.448 30.522 1.00 0.00 C ATOM 746 CE1 TYR A 48 34.743 34.287 29.624 1.00 0.00 C ATOM 747 CE2 TYR A 48 36.124 32.745 30.920 1.00 0.00 C ATOM 748 CZ TYR A 48 34.848 33.168 30.479 1.00 0.00 C ATOM 749 OH TYR A 48 33.725 32.480 30.835 1.00 0.00 O ATOM 0 H TYR A 48 40.677 36.353 29.853 1.00 0.00 H new ATOM 0 HA TYR A 48 37.914 37.390 29.532 1.00 0.00 H new ATOM 0 HB2 TYR A 48 38.384 35.434 28.145 1.00 0.00 H new ATOM 0 HB3 TYR A 48 39.284 34.655 29.431 1.00 0.00 H new ATOM 0 HD1 TYR A 48 35.815 35.837 28.569 1.00 0.00 H new ATOM 0 HD2 TYR A 48 38.247 33.138 30.879 1.00 0.00 H new ATOM 0 HE1 TYR A 48 33.772 34.613 29.280 1.00 0.00 H new ATOM 0 HE2 TYR A 48 36.214 31.882 31.563 1.00 0.00 H new ATOM 0 HH TYR A 48 33.970 31.737 31.426 1.00 0.00 H new ATOM 759 N MET A 49 39.249 35.959 32.188 1.00 0.00 N ATOM 760 CA MET A 49 39.144 35.667 33.622 1.00 0.00 C ATOM 761 C MET A 49 39.376 36.899 34.513 1.00 0.00 C ATOM 762 O MET A 49 38.700 37.020 35.538 1.00 0.00 O ATOM 763 CB MET A 49 40.143 34.542 33.977 1.00 0.00 C ATOM 764 CG MET A 49 39.743 33.149 33.481 1.00 0.00 C ATOM 765 SD MET A 49 38.130 32.539 34.039 1.00 0.00 S ATOM 766 CE MET A 49 38.385 30.787 33.664 1.00 0.00 C ATOM 0 H MET A 49 40.144 35.660 31.799 1.00 0.00 H new ATOM 0 HA MET A 49 38.121 35.346 33.820 1.00 0.00 H new ATOM 0 HB2 MET A 49 41.117 34.795 33.559 1.00 0.00 H new ATOM 0 HB3 MET A 49 40.260 34.507 35.060 1.00 0.00 H new ATOM 0 HG2 MET A 49 39.749 33.158 32.391 1.00 0.00 H new ATOM 0 HG3 MET A 49 40.507 32.439 33.798 1.00 0.00 H new ATOM 0 HE1 MET A 49 37.493 30.223 33.937 1.00 0.00 H new ATOM 0 HE2 MET A 49 38.577 30.667 32.598 1.00 0.00 H new ATOM 0 HE3 MET A 49 39.238 30.414 34.231 1.00 0.00 H new ATOM 776 N ALA A 50 40.289 37.807 34.143 1.00 0.00 N ATOM 777 CA ALA A 50 40.611 39.021 34.906 1.00 0.00 C ATOM 778 C ALA A 50 39.834 40.256 34.408 1.00 0.00 C ATOM 779 O ALA A 50 39.320 40.265 33.286 1.00 0.00 O ATOM 780 CB ALA A 50 42.128 39.250 34.844 1.00 0.00 C ATOM 0 H ALA A 50 40.836 37.716 33.287 1.00 0.00 H new ATOM 0 HA ALA A 50 40.300 38.876 35.941 1.00 0.00 H new ATOM 0 HB1 ALA A 50 42.384 40.148 35.406 1.00 0.00 H new ATOM 0 HB2 ALA A 50 42.643 38.392 35.276 1.00 0.00 H new ATOM 0 HB3 ALA A 50 42.435 39.372 33.805 1.00 0.00 H new ATOM 786 N THR A 51 39.756 41.306 35.238 1.00 0.00 N ATOM 787 CA THR A 51 38.955 42.522 34.977 1.00 0.00 C ATOM 788 C THR A 51 39.680 43.638 34.230 1.00 0.00 C ATOM 789 O THR A 51 39.010 44.558 33.764 1.00 0.00 O ATOM 790 CB THR A 51 38.378 43.081 36.283 1.00 0.00 C ATOM 791 OG1 THR A 51 39.401 43.267 37.231 1.00 0.00 O ATOM 792 CG2 THR A 51 37.332 42.145 36.871 1.00 0.00 C ATOM 0 H THR A 51 40.255 41.340 36.127 1.00 0.00 H new ATOM 0 HA THR A 51 38.162 42.183 34.310 1.00 0.00 H new ATOM 0 HB THR A 51 37.909 44.036 36.048 1.00 0.00 H new ATOM 0 HG1 THR A 51 39.019 43.626 38.059 1.00 0.00 H new ATOM 0 HG21 THR A 51 36.942 42.570 37.796 1.00 0.00 H new ATOM 0 HG22 THR A 51 36.517 42.017 36.159 1.00 0.00 H new ATOM 0 HG23 THR A 51 37.787 41.177 37.080 1.00 0.00 H new ATOM 800 N TYR A 52 41.008 43.606 34.106 1.00 0.00 N ATOM 801 CA TYR A 52 41.778 44.662 33.427 1.00 0.00 C ATOM 802 C TYR A 52 41.933 44.433 31.909 1.00 0.00 C ATOM 803 O TYR A 52 41.894 43.291 31.431 1.00 0.00 O ATOM 804 CB TYR A 52 43.146 44.837 34.108 1.00 0.00 C ATOM 805 CG TYR A 52 43.595 46.282 34.173 1.00 0.00 C ATOM 806 CD1 TYR A 52 43.102 47.104 35.204 1.00 0.00 C ATOM 807 CD2 TYR A 52 44.473 46.816 33.208 1.00 0.00 C ATOM 808 CE1 TYR A 52 43.498 48.450 35.292 1.00 0.00 C ATOM 809 CE2 TYR A 52 44.865 48.167 33.284 1.00 0.00 C ATOM 810 CZ TYR A 52 44.383 48.986 34.332 1.00 0.00 C ATOM 811 OH TYR A 52 44.775 50.282 34.426 1.00 0.00 O ATOM 0 H TYR A 52 41.585 42.849 34.472 1.00 0.00 H new ATOM 0 HA TYR A 52 41.205 45.584 33.525 1.00 0.00 H new ATOM 0 HB2 TYR A 52 43.097 44.432 35.119 1.00 0.00 H new ATOM 0 HB3 TYR A 52 43.892 44.255 33.567 1.00 0.00 H new ATOM 0 HD1 TYR A 52 42.415 46.698 35.932 1.00 0.00 H new ATOM 0 HD2 TYR A 52 44.845 46.190 32.411 1.00 0.00 H new ATOM 0 HE1 TYR A 52 43.126 49.072 36.092 1.00 0.00 H new ATOM 0 HE2 TYR A 52 45.534 48.578 32.542 1.00 0.00 H new ATOM 0 HH TYR A 52 45.385 50.494 33.689 1.00 0.00 H new ATOM 821 N HIS A 53 42.160 45.512 31.146 1.00 0.00 N ATOM 822 CA HIS A 53 42.304 45.504 29.678 1.00 0.00 C ATOM 823 C HIS A 53 43.282 46.562 29.165 1.00 0.00 C ATOM 824 O HIS A 53 44.048 46.245 28.225 1.00 0.00 O ATOM 825 CB HIS A 53 40.911 45.620 29.021 1.00 0.00 C ATOM 826 CG HIS A 53 40.373 47.017 28.869 1.00 0.00 C ATOM 827 ND1 HIS A 53 39.759 47.764 29.876 1.00 0.00 N ATOM 828 CD2 HIS A 53 40.378 47.745 27.716 1.00 0.00 C ATOM 829 CE1 HIS A 53 39.418 48.932 29.306 1.00 0.00 C ATOM 830 NE2 HIS A 53 39.772 48.944 28.013 1.00 0.00 N ATOM 831 OXT HIS A 53 43.319 47.695 29.695 1.00 0.00 O ATOM 0 H HIS A 53 42.252 46.446 31.544 1.00 0.00 H new ATOM 0 HA HIS A 53 42.748 44.551 29.389 1.00 0.00 H new ATOM 0 HB2 HIS A 53 40.956 45.159 28.034 1.00 0.00 H new ATOM 0 HB3 HIS A 53 40.202 45.040 29.612 1.00 0.00 H new ATOM 0 HD2 HIS A 53 40.778 47.441 26.760 1.00 0.00 H new ATOM 0 HE1 HIS A 53 38.928 49.747 29.818 1.00 0.00 H new ATOM 0 HE2 HIS A 53 39.618 49.712 27.360 1.00 0.00 H new TER 839 HIS A 53