USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -179:sc= -0.284 USER MOD Set 1.2: A 25 ASN : amide:sc= -0.585 K(o=-0.87,f=-0.29) USER MOD Set 2.1: A 7 THR OG1 : rot -82:sc= 0.696 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= 1.97 (180deg=1.64) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0293 (180deg=-0.245) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 49:sc= 1.06 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0665 USER MOD Single : A 27 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.556) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.853 K(o=-0.85,f=-1.8) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0425 K(o=-0.042,f=-1.4) USER MOD Single : A 41 GLN : amide:sc= 0.184 X(o=0.18,f=-0.044) USER MOD Single : A 48 LYS NZ :NH3+ 164:sc= -0.0237 (180deg=-0.239) USER MOD Single : A 49 GLN : amide:sc= -0.0157 X(o=-0.016,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc=0.000677 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.0121 USER MOD Single : A 60 ASN : amide:sc= -0.0302 X(o=-0.03,f=-0.47) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 76:sc= 0.519! USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 27.125 24.728 2.955 1.00 49.53 N ATOM 2 CA MET A 1 26.042 25.694 3.210 1.00 50.07 C ATOM 3 C MET A 1 26.586 26.983 3.871 1.00 50.51 C ATOM 4 O MET A 1 27.668 26.938 4.457 1.00 49.49 O ATOM 5 CB MET A 1 24.968 25.061 4.092 1.00 49.82 C ATOM 6 CG MET A 1 24.196 23.928 3.430 1.00 49.86 C ATOM 7 SD MET A 1 23.219 24.483 2.019 1.00 49.91 S ATOM 8 CE MET A 1 22.802 22.917 1.259 1.00 49.78 C ATOM 0 H1 MET A 1 26.715 23.801 2.721 1.00 49.53 H new ATOM 0 H2 MET A 1 27.707 25.061 2.160 1.00 49.53 H new ATOM 0 H3 MET A 1 27.718 24.639 3.805 1.00 49.53 H new ATOM 0 HA MET A 1 25.600 25.967 2.252 1.00 50.07 H new ATOM 0 HB2 MET A 1 25.438 24.682 5.000 1.00 49.82 H new ATOM 0 HB3 MET A 1 24.263 25.835 4.397 1.00 49.82 H new ATOM 0 HG2 MET A 1 24.896 23.160 3.102 1.00 49.86 H new ATOM 0 HG3 MET A 1 23.536 23.466 4.164 1.00 49.86 H new ATOM 0 HE1 MET A 1 22.197 23.094 0.370 1.00 49.78 H new ATOM 0 HE2 MET A 1 23.716 22.394 0.977 1.00 49.78 H new ATOM 0 HE3 MET A 1 22.239 22.308 1.966 1.00 49.78 H new ATOM 18 N GLN A 2 25.812 28.019 3.738 1.00 49.53 N ATOM 19 CA GLN A 2 26.218 29.314 4.371 1.00 50.07 C ATOM 20 C GLN A 2 25.581 29.353 5.752 1.00 50.51 C ATOM 21 O GLN A 2 24.490 28.775 6.018 1.00 49.49 O ATOM 22 CB GLN A 2 25.751 30.506 3.532 1.00 49.82 C ATOM 23 CG GLN A 2 26.395 30.592 2.159 1.00 49.82 C ATOM 24 CD GLN A 2 26.103 31.909 1.464 1.00 50.55 C ATOM 25 OE1 GLN A 2 25.002 32.125 0.951 1.00 49.45 O ATOM 26 NE2 GLN A 2 27.091 32.795 1.439 1.00 49.38 N ATOM 0 H GLN A 2 24.929 28.034 3.228 1.00 49.53 H new ATOM 0 HA GLN A 2 27.304 29.380 4.440 1.00 50.07 H new ATOM 0 HB2 GLN A 2 24.669 30.449 3.411 1.00 49.82 H new ATOM 0 HB3 GLN A 2 25.962 31.425 4.078 1.00 49.82 H new ATOM 0 HG2 GLN A 2 27.473 30.468 2.258 1.00 49.82 H new ATOM 0 HG3 GLN A 2 26.035 29.770 1.540 1.00 49.82 H new ATOM 0 HE21 GLN A 2 27.986 32.574 1.876 1.00 49.38 H new ATOM 0 HE22 GLN A 2 26.956 33.697 0.982 1.00 49.38 H new ATOM 35 N ILE A 3 26.285 29.986 6.677 1.00 49.53 N ATOM 36 CA ILE A 3 25.726 30.228 8.021 1.00 50.07 C ATOM 37 C ILE A 3 26.307 31.601 8.471 1.00 50.51 C ATOM 38 O ILE A 3 27.391 31.902 8.000 1.00 49.49 O ATOM 39 CB ILE A 3 26.120 29.130 9.026 1.00 49.91 C ATOM 40 CG1 ILE A 3 27.641 28.970 9.072 1.00 49.82 C ATOM 41 CG2 ILE A 3 25.453 27.812 8.664 1.00 49.73 C ATOM 42 CD1 ILE A 3 28.128 28.063 10.179 1.00 49.73 C ATOM 0 H ILE A 3 27.231 30.341 6.537 1.00 49.53 H new ATOM 0 HA ILE A 3 24.637 30.223 7.988 1.00 50.07 H new ATOM 0 HB ILE A 3 25.775 29.427 10.016 1.00 49.91 H new ATOM 0 HG12 ILE A 3 27.984 28.576 8.115 1.00 49.82 H new ATOM 0 HG13 ILE A 3 28.096 29.953 9.194 1.00 49.82 H new ATOM 0 HG21 ILE A 3 25.743 27.048 9.385 1.00 49.73 H new ATOM 0 HG22 ILE A 3 24.370 27.935 8.681 1.00 49.73 H new ATOM 0 HG23 ILE A 3 25.767 27.507 7.666 1.00 49.73 H new ATOM 0 HD11 ILE A 3 29.216 28.000 10.146 1.00 49.73 H new ATOM 0 HD12 ILE A 3 27.817 28.466 11.143 1.00 49.73 H new ATOM 0 HD13 ILE A 3 27.703 27.068 10.048 1.00 49.73 H new ATOM 54 N PHE A 4 25.528 32.253 9.301 1.00 49.53 N ATOM 55 CA PHE A 4 26.016 33.594 9.802 1.00 50.07 C ATOM 56 C PHE A 4 26.538 33.519 11.208 1.00 50.51 C ATOM 57 O PHE A 4 25.907 32.789 11.988 1.00 49.49 O ATOM 58 CB PHE A 4 24.895 34.631 9.716 1.00 49.82 C ATOM 59 CG PHE A 4 24.463 34.942 8.311 1.00 50.00 C ATOM 60 CD1 PHE A 4 25.100 35.933 7.577 1.00 49.88 C ATOM 61 CD2 PHE A 4 23.422 34.245 7.718 1.00 49.88 C ATOM 62 CE1 PHE A 4 24.704 36.221 6.286 1.00 49.88 C ATOM 63 CE2 PHE A 4 23.024 34.530 6.425 1.00 49.88 C ATOM 64 CZ PHE A 4 23.665 35.519 5.709 1.00 49.88 C ATOM 0 H PHE A 4 24.619 31.942 9.644 1.00 49.53 H new ATOM 0 HA PHE A 4 26.844 33.896 9.160 1.00 50.07 H new ATOM 0 HB2 PHE A 4 24.035 34.270 10.279 1.00 49.82 H new ATOM 0 HB3 PHE A 4 25.227 35.552 10.196 1.00 49.82 H new ATOM 0 HD1 PHE A 4 25.915 36.485 8.021 1.00 49.88 H new ATOM 0 HD2 PHE A 4 22.915 33.469 8.273 1.00 49.88 H new ATOM 0 HE1 PHE A 4 25.208 36.996 5.727 1.00 49.88 H new ATOM 0 HE2 PHE A 4 22.211 33.978 5.976 1.00 49.88 H new ATOM 0 HZ PHE A 4 23.355 35.744 4.699 1.00 49.88 H new ATOM 74 N VAL A 5 27.585 34.245 11.587 1.00 49.53 N ATOM 75 CA VAL A 5 28.055 34.261 12.957 1.00 50.07 C ATOM 76 C VAL A 5 28.258 35.716 13.445 1.00 50.51 C ATOM 77 O VAL A 5 29.167 36.310 12.852 1.00 49.49 O ATOM 78 CB VAL A 5 29.375 33.486 13.115 1.00 49.91 C ATOM 79 CG1 VAL A 5 29.925 33.650 14.523 1.00 49.73 C ATOM 80 CG2 VAL A 5 29.170 32.013 12.793 1.00 49.73 C ATOM 0 H VAL A 5 28.125 34.834 10.953 1.00 49.53 H new ATOM 0 HA VAL A 5 27.292 33.773 13.563 1.00 50.07 H new ATOM 0 HB VAL A 5 30.100 33.896 12.412 1.00 49.91 H new ATOM 0 HG11 VAL A 5 30.859 33.095 14.616 1.00 49.73 H new ATOM 0 HG12 VAL A 5 30.109 34.706 14.721 1.00 49.73 H new ATOM 0 HG13 VAL A 5 29.202 33.267 15.243 1.00 49.73 H new ATOM 0 HG21 VAL A 5 30.114 31.480 12.910 1.00 49.73 H new ATOM 0 HG22 VAL A 5 28.429 31.592 13.472 1.00 49.73 H new ATOM 0 HG23 VAL A 5 28.820 31.910 11.766 1.00 49.73 H new ATOM 90 N LYS A 6 27.513 36.122 14.415 1.00 49.53 N ATOM 91 CA LYS A 6 27.621 37.536 14.916 1.00 50.07 C ATOM 92 C LYS A 6 28.873 37.780 15.714 1.00 50.51 C ATOM 93 O LYS A 6 29.503 36.817 16.211 1.00 49.49 O ATOM 94 CB LYS A 6 26.393 37.894 15.756 1.00 49.82 C ATOM 95 CG LYS A 6 25.092 37.964 14.969 1.00 49.82 C ATOM 96 CD LYS A 6 24.871 39.353 14.387 1.00 49.82 C ATOM 97 CE LYS A 6 23.525 39.451 13.684 1.00 50.21 C ATOM 98 NZ LYS A 6 22.389 39.292 14.632 1.00 49.70 N ATOM 0 H LYS A 6 26.824 35.545 14.897 1.00 49.53 H new ATOM 0 HA LYS A 6 27.671 38.177 14.036 1.00 50.07 H new ATOM 0 HB2 LYS A 6 26.284 37.156 16.551 1.00 49.82 H new ATOM 0 HB3 LYS A 6 26.565 38.857 16.237 1.00 49.82 H new ATOM 0 HG2 LYS A 6 25.112 37.229 14.164 1.00 49.82 H new ATOM 0 HG3 LYS A 6 24.257 37.703 15.619 1.00 49.82 H new ATOM 0 HD2 LYS A 6 24.923 40.096 15.183 1.00 49.82 H new ATOM 0 HD3 LYS A 6 25.669 39.585 13.682 1.00 49.82 H new ATOM 0 HE2 LYS A 6 23.447 40.416 13.183 1.00 50.21 H new ATOM 0 HE3 LYS A 6 23.463 38.685 12.911 1.00 50.21 H new ATOM 0 HZ1 LYS A 6 21.510 39.612 14.177 1.00 49.70 H new ATOM 0 HZ2 LYS A 6 22.296 38.291 14.898 1.00 49.70 H new ATOM 0 HZ3 LYS A 6 22.565 39.862 15.484 1.00 49.70 H new ATOM 112 N THR A 7 29.268 39.063 15.866 1.00 49.53 N ATOM 113 CA THR A 7 30.482 39.376 16.635 1.00 50.07 C ATOM 114 C THR A 7 30.148 40.543 17.567 1.00 50.51 C ATOM 115 O THR A 7 29.048 41.085 17.438 1.00 49.49 O ATOM 116 CB THR A 7 31.662 39.762 15.723 1.00 50.14 C ATOM 117 OG1 THR A 7 31.269 40.836 14.858 1.00 49.34 O ATOM 118 CG2 THR A 7 32.097 38.572 14.881 1.00 49.73 C ATOM 0 H THR A 7 28.780 39.871 15.479 1.00 49.53 H new ATOM 0 HA THR A 7 30.789 38.492 17.194 1.00 50.07 H new ATOM 0 HB THR A 7 32.497 40.076 16.349 1.00 50.14 H new ATOM 0 HG1 THR A 7 30.785 40.474 14.087 1.00 49.34 H new ATOM 0 HG21 THR A 7 32.931 38.863 14.243 1.00 49.73 H new ATOM 0 HG22 THR A 7 32.408 37.757 15.535 1.00 49.73 H new ATOM 0 HG23 THR A 7 31.264 38.241 14.260 1.00 49.73 H new ATOM 126 N LEU A 8 31.144 41.184 18.137 1.00 49.53 N ATOM 127 CA LEU A 8 30.897 42.294 19.085 1.00 50.07 C ATOM 128 C LEU A 8 30.971 43.557 18.250 1.00 50.51 C ATOM 129 O LEU A 8 30.243 44.526 18.536 1.00 49.49 O ATOM 130 CB LEU A 8 31.943 42.303 20.208 1.00 49.82 C ATOM 131 CG LEU A 8 32.078 40.987 20.985 1.00 49.91 C ATOM 132 CD1 LEU A 8 33.057 41.159 22.137 1.00 49.73 C ATOM 133 CD2 LEU A 8 30.711 40.557 21.497 1.00 49.73 C ATOM 0 H LEU A 8 32.129 40.973 17.976 1.00 49.53 H new ATOM 0 HA LEU A 8 29.931 42.198 19.580 1.00 50.07 H new ATOM 0 HB2 LEU A 8 32.913 42.553 19.778 1.00 49.82 H new ATOM 0 HB3 LEU A 8 31.691 43.097 20.911 1.00 49.82 H new ATOM 0 HG LEU A 8 32.464 40.212 20.324 1.00 49.91 H new ATOM 0 HD11 LEU A 8 33.146 40.219 22.682 1.00 49.73 H new ATOM 0 HD12 LEU A 8 34.033 41.445 21.745 1.00 49.73 H new ATOM 0 HD13 LEU A 8 32.694 41.936 22.810 1.00 49.73 H new ATOM 0 HD21 LEU A 8 30.807 39.622 22.049 1.00 49.73 H new ATOM 0 HD22 LEU A 8 30.310 41.328 22.155 1.00 49.73 H new ATOM 0 HD23 LEU A 8 30.035 40.413 20.654 1.00 49.73 H new ATOM 145 N THR A 9 31.837 43.576 17.220 1.00 49.53 N ATOM 146 CA THR A 9 31.873 44.848 16.421 1.00 50.07 C ATOM 147 C THR A 9 30.741 45.094 15.472 1.00 50.51 C ATOM 148 O THR A 9 30.578 46.198 14.919 1.00 49.49 O ATOM 149 CB THR A 9 33.188 44.950 15.625 1.00 50.14 C ATOM 150 OG1 THR A 9 33.235 43.907 14.641 1.00 49.34 O ATOM 151 CG2 THR A 9 34.385 44.819 16.554 1.00 49.73 C ATOM 0 H THR A 9 32.463 42.825 16.930 1.00 49.53 H new ATOM 0 HA THR A 9 31.781 45.614 17.191 1.00 50.07 H new ATOM 0 HB THR A 9 33.225 45.923 15.136 1.00 50.14 H new ATOM 0 HG1 THR A 9 34.071 43.973 14.134 1.00 49.34 H new ATOM 0 HG21 THR A 9 35.305 44.893 15.974 1.00 49.73 H new ATOM 0 HG22 THR A 9 34.358 45.617 17.297 1.00 49.73 H new ATOM 0 HG23 THR A 9 34.351 43.853 17.058 1.00 49.73 H new ATOM 159 N GLY A 10 29.903 44.128 15.259 1.00 49.53 N ATOM 160 CA GLY A 10 28.764 44.228 14.374 1.00 49.98 C ATOM 161 C GLY A 10 28.951 43.678 12.991 1.00 50.51 C ATOM 162 O GLY A 10 28.006 43.695 12.171 1.00 49.49 O ATOM 0 H GLY A 10 29.988 43.215 15.706 1.00 49.53 H new ATOM 0 HA2 GLY A 10 27.923 43.712 14.837 1.00 49.98 H new ATOM 0 HA3 GLY A 10 28.486 45.279 14.290 1.00 49.98 H new ATOM 166 N LYS A 11 30.094 43.087 12.750 1.00 49.53 N ATOM 167 CA LYS A 11 30.376 42.415 11.490 1.00 50.07 C ATOM 168 C LYS A 11 29.642 41.054 11.459 1.00 50.51 C ATOM 169 O LYS A 11 29.837 40.298 12.405 1.00 49.49 O ATOM 170 CB LYS A 11 31.882 42.213 11.308 1.00 49.82 C ATOM 171 CG LYS A 11 32.259 41.280 10.165 1.00 49.82 C ATOM 172 CD LYS A 11 32.037 41.942 8.814 1.00 49.82 C ATOM 173 CE LYS A 11 32.433 41.017 7.672 1.00 50.21 C ATOM 174 NZ LYS A 11 32.219 41.651 6.343 1.00 49.70 N ATOM 0 H LYS A 11 30.863 43.054 13.419 1.00 49.53 H new ATOM 0 HA LYS A 11 30.019 43.037 10.669 1.00 50.07 H new ATOM 0 HB2 LYS A 11 32.348 43.183 11.137 1.00 49.82 H new ATOM 0 HB3 LYS A 11 32.298 41.818 12.235 1.00 49.82 H new ATOM 0 HG2 LYS A 11 33.305 40.988 10.261 1.00 49.82 H new ATOM 0 HG3 LYS A 11 31.666 40.368 10.227 1.00 49.82 H new ATOM 0 HD2 LYS A 11 30.988 42.221 8.712 1.00 49.82 H new ATOM 0 HD3 LYS A 11 32.619 42.862 8.758 1.00 49.82 H new ATOM 0 HE2 LYS A 11 33.482 40.740 7.777 1.00 50.21 H new ATOM 0 HE3 LYS A 11 31.852 40.097 7.733 1.00 50.21 H new ATOM 0 HZ1 LYS A 11 32.501 40.988 5.593 1.00 49.70 H new ATOM 0 HZ2 LYS A 11 31.214 41.893 6.232 1.00 49.70 H new ATOM 0 HZ3 LYS A 11 32.793 42.516 6.274 1.00 49.70 H new ATOM 188 N THR A 12 28.908 40.807 10.391 1.00 49.53 N ATOM 189 CA THR A 12 28.264 39.483 10.292 1.00 50.07 C ATOM 190 C THR A 12 28.942 38.738 9.144 1.00 50.51 C ATOM 191 O THR A 12 28.611 39.073 8.004 1.00 49.49 O ATOM 192 CB THR A 12 26.752 39.592 10.023 1.00 50.14 C ATOM 193 OG1 THR A 12 26.534 40.099 8.700 1.00 49.34 O ATOM 194 CG2 THR A 12 26.096 40.521 11.033 1.00 49.73 C ATOM 0 H THR A 12 28.740 41.450 9.617 1.00 49.53 H new ATOM 0 HA THR A 12 28.376 38.954 11.238 1.00 50.07 H new ATOM 0 HB THR A 12 26.310 38.600 10.116 1.00 50.14 H new ATOM 0 HG1 THR A 12 27.085 39.598 8.063 1.00 49.34 H new ATOM 0 HG21 THR A 12 25.028 40.586 10.827 1.00 49.73 H new ATOM 0 HG22 THR A 12 26.249 40.131 12.039 1.00 49.73 H new ATOM 0 HG23 THR A 12 26.541 41.513 10.957 1.00 49.73 H new ATOM 202 N ILE A 13 29.749 37.735 9.490 1.00 49.53 N ATOM 203 CA ILE A 13 30.394 37.016 8.354 1.00 50.07 C ATOM 204 C ILE A 13 29.691 35.752 7.943 1.00 50.51 C ATOM 205 O ILE A 13 29.020 35.115 8.779 1.00 49.49 O ATOM 206 CB ILE A 13 31.861 36.677 8.677 1.00 49.91 C ATOM 207 CG1 ILE A 13 31.956 35.938 10.013 1.00 49.82 C ATOM 208 CG2 ILE A 13 32.706 37.942 8.702 1.00 49.73 C ATOM 209 CD1 ILE A 13 33.326 35.365 10.298 1.00 49.73 C ATOM 0 H ILE A 13 29.967 37.415 10.434 1.00 49.53 H new ATOM 0 HA ILE A 13 30.331 37.710 7.516 1.00 50.07 H new ATOM 0 HB ILE A 13 32.247 36.023 7.895 1.00 49.91 H new ATOM 0 HG12 ILE A 13 31.685 36.623 10.816 1.00 49.82 H new ATOM 0 HG13 ILE A 13 31.225 35.129 10.023 1.00 49.82 H new ATOM 0 HG21 ILE A 13 33.740 37.684 8.932 1.00 49.73 H new ATOM 0 HG22 ILE A 13 32.661 38.429 7.728 1.00 49.73 H new ATOM 0 HG23 ILE A 13 32.323 38.620 9.464 1.00 49.73 H new ATOM 0 HD11 ILE A 13 33.314 34.856 11.262 1.00 49.73 H new ATOM 0 HD12 ILE A 13 33.593 34.654 9.516 1.00 49.73 H new ATOM 0 HD13 ILE A 13 34.060 36.171 10.322 1.00 49.73 H new ATOM 221 N THR A 14 29.732 35.408 6.676 1.00 49.53 N ATOM 222 CA THR A 14 29.065 34.129 6.292 1.00 50.07 C ATOM 223 C THR A 14 30.218 33.161 6.352 1.00 50.51 C ATOM 224 O THR A 14 31.397 33.567 6.184 1.00 49.49 O ATOM 225 CB THR A 14 28.460 34.168 4.877 1.00 50.14 C ATOM 226 OG1 THR A 14 29.430 34.681 3.954 1.00 49.34 O ATOM 227 CG2 THR A 14 27.222 35.052 4.849 1.00 49.73 C ATOM 0 H THR A 14 30.178 35.933 5.923 1.00 49.53 H new ATOM 0 HA THR A 14 28.220 33.882 6.934 1.00 50.07 H new ATOM 0 HB THR A 14 28.176 33.155 4.592 1.00 50.14 H new ATOM 0 HG1 THR A 14 29.044 34.704 3.053 1.00 49.34 H new ATOM 0 HG21 THR A 14 26.808 35.067 3.841 1.00 49.73 H new ATOM 0 HG22 THR A 14 26.478 34.658 5.541 1.00 49.73 H new ATOM 0 HG23 THR A 14 27.492 36.066 5.146 1.00 49.73 H new ATOM 235 N LEU A 15 29.958 31.884 6.590 1.00 49.53 N ATOM 236 CA LEU A 15 31.001 30.886 6.680 1.00 50.07 C ATOM 237 C LEU A 15 30.475 29.701 5.862 1.00 50.51 C ATOM 238 O LEU A 15 29.257 29.575 5.843 1.00 49.49 O ATOM 239 CB LEU A 15 31.265 30.491 8.138 1.00 49.82 C ATOM 240 CG LEU A 15 31.907 31.583 9.004 1.00 49.91 C ATOM 241 CD1 LEU A 15 31.990 31.118 10.452 1.00 49.73 C ATOM 242 CD2 LEU A 15 33.289 31.914 8.463 1.00 49.73 C ATOM 0 H LEU A 15 29.017 31.515 6.725 1.00 49.53 H new ATOM 0 HA LEU A 15 31.955 31.250 6.300 1.00 50.07 H new ATOM 0 HB2 LEU A 15 30.320 30.196 8.595 1.00 49.82 H new ATOM 0 HB3 LEU A 15 31.912 29.614 8.149 1.00 49.82 H new ATOM 0 HG LEU A 15 31.293 32.483 8.970 1.00 49.91 H new ATOM 0 HD11 LEU A 15 32.447 31.899 11.059 1.00 49.73 H new ATOM 0 HD12 LEU A 15 30.987 30.908 10.825 1.00 49.73 H new ATOM 0 HD13 LEU A 15 32.595 30.213 10.509 1.00 49.73 H new ATOM 0 HD21 LEU A 15 33.744 32.690 9.079 1.00 49.73 H new ATOM 0 HD22 LEU A 15 33.912 31.020 8.486 1.00 49.73 H new ATOM 0 HD23 LEU A 15 33.202 32.270 7.436 1.00 49.73 H new ATOM 254 N GLU A 16 31.394 28.974 5.273 1.00 49.53 N ATOM 255 CA GLU A 16 30.939 27.726 4.578 1.00 50.07 C ATOM 256 C GLU A 16 31.209 26.524 5.457 1.00 50.51 C ATOM 257 O GLU A 16 32.343 26.352 5.903 1.00 49.49 O ATOM 258 CB GLU A 16 31.646 27.570 3.229 1.00 49.82 C ATOM 259 CG GLU A 16 31.145 26.405 2.388 1.00 49.72 C ATOM 260 CD GLU A 16 29.676 26.533 2.096 1.00 50.62 C ATOM 261 OE1 GLU A 16 29.130 27.583 2.341 1.00 49.24 O ATOM 262 OE2 GLU A 16 29.121 25.624 1.525 1.00 49.24 O ATOM 0 H GLU A 16 32.393 29.175 5.241 1.00 49.53 H new ATOM 0 HA GLU A 16 29.867 27.798 4.393 1.00 50.07 H new ATOM 0 HB2 GLU A 16 31.524 28.492 2.660 1.00 49.82 H new ATOM 0 HB3 GLU A 16 32.714 27.442 3.405 1.00 49.82 H new ATOM 0 HG2 GLU A 16 31.702 26.364 1.452 1.00 49.72 H new ATOM 0 HG3 GLU A 16 31.333 25.468 2.912 1.00 49.72 H new ATOM 269 N VAL A 17 30.111 25.848 5.756 1.00 49.53 N ATOM 270 CA VAL A 17 30.137 24.678 6.628 1.00 50.07 C ATOM 271 C VAL A 17 29.343 23.561 5.936 1.00 50.51 C ATOM 272 O VAL A 17 28.613 23.787 4.944 1.00 49.49 O ATOM 273 CB VAL A 17 29.522 24.974 8.010 1.00 49.91 C ATOM 274 CG1 VAL A 17 30.399 25.942 8.787 1.00 49.73 C ATOM 275 CG2 VAL A 17 28.115 25.535 7.858 1.00 49.73 C ATOM 0 H VAL A 17 29.184 26.089 5.406 1.00 49.53 H new ATOM 0 HA VAL A 17 31.173 24.383 6.796 1.00 50.07 H new ATOM 0 HB VAL A 17 29.462 24.039 8.568 1.00 49.91 H new ATOM 0 HG11 VAL A 17 29.949 26.140 9.760 1.00 49.73 H new ATOM 0 HG12 VAL A 17 31.388 25.505 8.926 1.00 49.73 H new ATOM 0 HG13 VAL A 17 30.489 26.876 8.233 1.00 49.73 H new ATOM 0 HG21 VAL A 17 27.696 25.738 8.843 1.00 49.73 H new ATOM 0 HG22 VAL A 17 28.152 26.460 7.282 1.00 49.73 H new ATOM 0 HG23 VAL A 17 27.488 24.809 7.340 1.00 49.73 H new ATOM 285 N GLU A 18 29.543 22.389 6.497 1.00 49.53 N ATOM 286 CA GLU A 18 28.827 21.172 6.110 1.00 50.07 C ATOM 287 C GLU A 18 28.215 20.616 7.387 1.00 50.51 C ATOM 288 O GLU A 18 28.796 20.698 8.458 1.00 49.49 O ATOM 289 CB GLU A 18 29.769 20.155 5.464 1.00 49.82 C ATOM 290 CG GLU A 18 30.416 20.629 4.171 1.00 49.72 C ATOM 291 CD GLU A 18 31.006 19.481 3.402 1.00 50.62 C ATOM 292 OE1 GLU A 18 31.830 18.787 3.947 1.00 49.24 O ATOM 293 OE2 GLU A 18 30.554 19.227 2.310 1.00 49.24 O ATOM 0 H GLU A 18 30.217 22.242 7.248 1.00 49.53 H new ATOM 0 HA GLU A 18 28.060 21.389 5.366 1.00 50.07 H new ATOM 0 HB2 GLU A 18 30.554 19.901 6.177 1.00 49.82 H new ATOM 0 HB3 GLU A 18 29.213 19.239 5.263 1.00 49.82 H new ATOM 0 HG2 GLU A 18 29.674 21.138 3.556 1.00 49.72 H new ATOM 0 HG3 GLU A 18 31.196 21.356 4.397 1.00 49.72 H new ATOM 300 N PRO A 19 27.024 20.056 7.284 1.00 49.71 N ATOM 301 CA PRO A 19 26.342 19.438 8.422 1.00 50.02 C ATOM 302 C PRO A 19 27.195 18.384 9.085 1.00 50.51 C ATOM 303 O PRO A 19 27.001 18.035 10.257 1.00 49.49 O ATOM 304 CB PRO A 19 25.076 18.816 7.795 1.00 49.82 C ATOM 305 CG PRO A 19 24.808 19.712 6.631 1.00 49.82 C ATOM 306 CD PRO A 19 26.220 19.953 6.041 1.00 50.00 C ATOM 0 HA PRO A 19 26.119 20.157 9.210 1.00 50.02 H new ATOM 0 HB2 PRO A 19 25.244 17.786 7.482 1.00 49.82 H new ATOM 0 HB3 PRO A 19 24.242 18.804 8.496 1.00 49.82 H new ATOM 0 HG2 PRO A 19 24.143 19.243 5.906 1.00 49.82 H new ATOM 0 HG3 PRO A 19 24.336 20.644 6.940 1.00 49.82 H new ATOM 0 HD2 PRO A 19 26.548 19.132 5.403 1.00 50.00 H new ATOM 0 HD3 PRO A 19 26.268 20.862 5.441 1.00 50.00 H new ATOM 314 N SER A 20 28.127 17.811 8.340 1.00 49.53 N ATOM 315 CA SER A 20 28.965 16.736 8.893 1.00 50.07 C ATOM 316 C SER A 20 29.978 17.113 9.949 1.00 50.51 C ATOM 317 O SER A 20 30.164 16.324 10.891 1.00 49.49 O ATOM 318 CB SER A 20 29.676 16.029 7.755 1.00 50.05 C ATOM 319 OG SER A 20 30.748 16.781 7.258 1.00 49.34 O ATOM 0 H SER A 20 28.327 18.058 7.371 1.00 49.53 H new ATOM 0 HA SER A 20 28.258 16.098 9.423 1.00 50.07 H new ATOM 0 HB2 SER A 20 30.041 15.062 8.101 1.00 50.05 H new ATOM 0 HB3 SER A 20 28.967 15.833 6.951 1.00 50.05 H new ATOM 0 HG SER A 20 31.181 16.291 6.528 1.00 49.34 H new ATOM 325 N ASP A 21 30.707 18.207 9.719 1.00 49.53 N ATOM 326 CA ASP A 21 31.724 18.578 10.738 1.00 50.07 C ATOM 327 C ASP A 21 31.138 18.930 12.081 1.00 50.51 C ATOM 328 O ASP A 21 30.013 19.458 12.169 1.00 49.49 O ATOM 329 CB ASP A 21 32.578 19.743 10.229 1.00 49.72 C ATOM 330 CG ASP A 21 33.697 19.334 9.281 1.00 50.62 C ATOM 331 OD1 ASP A 21 33.815 18.164 9.000 1.00 49.24 O ATOM 332 OD2 ASP A 21 34.323 20.204 8.723 1.00 49.24 O ATOM 0 H ASP A 21 30.634 18.819 8.906 1.00 49.53 H new ATOM 0 HA ASP A 21 32.338 17.690 10.889 1.00 50.07 H new ATOM 0 HB2 ASP A 21 31.931 20.458 9.721 1.00 49.72 H new ATOM 0 HB3 ASP A 21 33.013 20.260 11.084 1.00 49.72 H new ATOM 337 N THR A 22 31.933 18.748 13.122 1.00 49.53 N ATOM 338 CA THR A 22 31.552 19.124 14.462 1.00 50.07 C ATOM 339 C THR A 22 31.823 20.609 14.795 1.00 50.51 C ATOM 340 O THR A 22 32.662 21.237 14.142 1.00 49.49 O ATOM 341 CB THR A 22 32.265 18.248 15.509 1.00 50.14 C ATOM 342 OG1 THR A 22 33.682 18.312 15.303 1.00 49.34 O ATOM 343 CG2 THR A 22 31.805 16.802 15.398 1.00 49.73 C ATOM 0 H THR A 22 32.863 18.334 13.055 1.00 49.53 H new ATOM 0 HA THR A 22 30.474 18.967 14.502 1.00 50.07 H new ATOM 0 HB THR A 22 32.017 18.621 16.503 1.00 50.14 H new ATOM 0 HG1 THR A 22 34.134 17.743 15.960 1.00 49.34 H new ATOM 0 HG21 THR A 22 32.319 16.198 16.146 1.00 49.73 H new ATOM 0 HG22 THR A 22 30.729 16.748 15.566 1.00 49.73 H new ATOM 0 HG23 THR A 22 32.036 16.422 14.403 1.00 49.73 H new ATOM 351 N ILE A 23 31.077 21.067 15.800 1.00 49.53 N ATOM 352 CA ILE A 23 31.261 22.422 16.314 1.00 50.07 C ATOM 353 C ILE A 23 32.764 22.580 16.547 1.00 50.51 C ATOM 354 O ILE A 23 33.330 23.687 16.493 1.00 49.49 O ATOM 355 CB ILE A 23 30.495 22.657 17.630 1.00 49.91 C ATOM 356 CG1 ILE A 23 28.987 22.694 17.370 1.00 49.82 C ATOM 357 CG2 ILE A 23 30.958 23.947 18.291 1.00 49.73 C ATOM 358 CD1 ILE A 23 28.558 23.791 16.423 1.00 49.73 C ATOM 0 H ILE A 23 30.349 20.527 16.269 1.00 49.53 H new ATOM 0 HA ILE A 23 30.871 23.151 15.604 1.00 50.07 H new ATOM 0 HB ILE A 23 30.706 21.830 18.308 1.00 49.91 H new ATOM 0 HG12 ILE A 23 28.674 21.732 16.963 1.00 49.82 H new ATOM 0 HG13 ILE A 23 28.467 22.822 18.319 1.00 49.82 H new ATOM 0 HG21 ILE A 23 30.407 24.098 19.219 1.00 49.73 H new ATOM 0 HG22 ILE A 23 32.024 23.882 18.508 1.00 49.73 H new ATOM 0 HG23 ILE A 23 30.775 24.786 17.620 1.00 49.73 H new ATOM 0 HD11 ILE A 23 27.477 23.753 16.288 1.00 49.73 H new ATOM 0 HD12 ILE A 23 28.838 24.759 16.837 1.00 49.73 H new ATOM 0 HD13 ILE A 23 29.049 23.653 15.460 1.00 49.73 H new ATOM 370 N GLU A 24 33.431 21.483 16.818 1.00 49.53 N ATOM 371 CA GLU A 24 34.921 21.526 16.997 1.00 50.07 C ATOM 372 C GLU A 24 35.819 21.893 15.840 1.00 50.51 C ATOM 373 O GLU A 24 37.006 22.254 16.027 1.00 49.49 O ATOM 374 CB GLU A 24 35.393 20.185 17.561 1.00 49.82 C ATOM 375 CG GLU A 24 36.884 20.119 17.863 1.00 49.72 C ATOM 376 CD GLU A 24 37.276 18.767 18.389 1.00 50.62 C ATOM 377 OE1 GLU A 24 36.701 18.339 19.361 1.00 49.24 O ATOM 378 OE2 GLU A 24 38.069 18.112 17.755 1.00 49.24 O ATOM 0 H GLU A 24 33.010 20.560 16.923 1.00 49.53 H new ATOM 0 HA GLU A 24 35.036 22.381 17.664 1.00 50.07 H new ATOM 0 HB2 GLU A 24 34.840 19.975 18.476 1.00 49.82 H new ATOM 0 HB3 GLU A 24 35.144 19.398 16.850 1.00 49.82 H new ATOM 0 HG2 GLU A 24 37.450 20.337 16.958 1.00 49.72 H new ATOM 0 HG3 GLU A 24 37.143 20.885 18.594 1.00 49.72 H new ATOM 385 N ASN A 25 35.318 21.732 14.626 1.00 49.53 N ATOM 386 CA ASN A 25 36.044 22.026 13.384 1.00 50.07 C ATOM 387 C ASN A 25 35.523 23.411 13.002 1.00 50.51 C ATOM 388 O ASN A 25 36.291 24.275 12.531 1.00 49.49 O ATOM 389 CB ASN A 25 35.776 21.005 12.294 1.00 49.82 C ATOM 390 CG ASN A 25 36.283 19.627 12.617 1.00 50.55 C ATOM 391 OD1 ASN A 25 37.492 19.405 12.754 1.00 49.45 O ATOM 392 ND2 ASN A 25 35.375 18.686 12.659 1.00 49.38 N ATOM 0 H ASN A 25 34.373 21.385 14.464 1.00 49.53 H new ATOM 0 HA ASN A 25 37.126 21.991 13.515 1.00 50.07 H new ATOM 0 HB2 ASN A 25 34.702 20.954 12.113 1.00 49.82 H new ATOM 0 HB3 ASN A 25 36.240 21.345 11.368 1.00 49.82 H new ATOM 0 HD21 ASN A 25 35.652 17.716 12.811 1.00 49.38 H new ATOM 0 HD22 ASN A 25 34.390 18.922 12.540 1.00 49.38 H new ATOM 399 N VAL A 26 34.233 23.590 13.244 1.00 49.53 N ATOM 400 CA VAL A 26 33.594 24.870 12.960 1.00 50.07 C ATOM 401 C VAL A 26 34.238 26.046 13.687 1.00 50.51 C ATOM 402 O VAL A 26 34.755 26.980 13.065 1.00 49.49 O ATOM 403 CB VAL A 26 32.096 24.834 13.312 1.00 49.91 C ATOM 404 CG1 VAL A 26 31.461 26.198 13.081 1.00 49.73 C ATOM 405 CG2 VAL A 26 31.381 23.770 12.494 1.00 49.73 C ATOM 0 H VAL A 26 33.614 22.878 13.631 1.00 49.53 H new ATOM 0 HA VAL A 26 33.728 25.025 11.889 1.00 50.07 H new ATOM 0 HB VAL A 26 31.997 24.581 14.368 1.00 49.91 H new ATOM 0 HG11 VAL A 26 30.402 26.154 13.335 1.00 49.73 H new ATOM 0 HG12 VAL A 26 31.954 26.940 13.709 1.00 49.73 H new ATOM 0 HG13 VAL A 26 31.572 26.478 12.033 1.00 49.73 H new ATOM 0 HG21 VAL A 26 30.323 23.759 12.756 1.00 49.73 H new ATOM 0 HG22 VAL A 26 31.489 23.993 11.433 1.00 49.73 H new ATOM 0 HG23 VAL A 26 31.817 22.794 12.706 1.00 49.73 H new ATOM 415 N LYS A 27 34.254 25.967 15.013 1.00 49.53 N ATOM 416 CA LYS A 27 34.842 27.041 15.825 1.00 50.07 C ATOM 417 C LYS A 27 36.256 27.318 15.341 1.00 50.51 C ATOM 418 O LYS A 27 36.632 28.509 15.215 1.00 49.49 O ATOM 419 CB LYS A 27 34.850 26.659 17.306 1.00 49.82 C ATOM 420 CG LYS A 27 35.827 25.548 17.665 1.00 49.82 C ATOM 421 CD LYS A 27 35.571 25.017 19.068 1.00 49.82 C ATOM 422 CE LYS A 27 36.543 23.903 19.425 1.00 50.21 C ATOM 423 NZ LYS A 27 36.262 23.328 20.768 1.00 49.70 N ATOM 0 H LYS A 27 33.874 25.186 15.548 1.00 49.53 H new ATOM 0 HA LYS A 27 34.238 27.942 15.715 1.00 50.07 H new ATOM 0 HB2 LYS A 27 35.092 27.543 17.895 1.00 49.82 H new ATOM 0 HB3 LYS A 27 33.845 26.350 17.594 1.00 49.82 H new ATOM 0 HG2 LYS A 27 35.737 24.735 16.944 1.00 49.82 H new ATOM 0 HG3 LYS A 27 36.848 25.923 17.597 1.00 49.82 H new ATOM 0 HD2 LYS A 27 35.665 25.829 19.789 1.00 49.82 H new ATOM 0 HD3 LYS A 27 34.548 24.646 19.137 1.00 49.82 H new ATOM 0 HE2 LYS A 27 36.484 23.115 18.674 1.00 50.21 H new ATOM 0 HE3 LYS A 27 37.562 24.290 19.402 1.00 50.21 H new ATOM 0 HZ1 LYS A 27 37.158 23.156 21.266 1.00 49.70 H new ATOM 0 HZ2 LYS A 27 35.683 23.995 21.317 1.00 49.70 H new ATOM 0 HZ3 LYS A 27 35.748 22.430 20.661 1.00 49.70 H new ATOM 437 N ALA A 28 37.045 26.287 15.116 1.00 49.53 N ATOM 438 CA ALA A 28 38.403 26.445 14.582 1.00 50.07 C ATOM 439 C ALA A 28 38.601 27.014 13.188 1.00 50.51 C ATOM 440 O ALA A 28 39.610 27.754 12.927 1.00 49.49 O ATOM 441 CB ALA A 28 39.138 25.094 14.674 1.00 49.73 C ATOM 0 H ALA A 28 36.776 25.319 15.293 1.00 49.53 H new ATOM 0 HA ALA A 28 38.812 27.230 15.218 1.00 50.07 H new ATOM 0 HB1 ALA A 28 40.148 25.202 14.279 1.00 49.73 H new ATOM 0 HB2 ALA A 28 39.187 24.777 15.716 1.00 49.73 H new ATOM 0 HB3 ALA A 28 38.599 24.346 14.092 1.00 49.73 H new ATOM 447 N LYS A 29 37.700 26.755 12.252 1.00 49.53 N ATOM 448 CA LYS A 29 37.790 27.349 10.902 1.00 50.07 C ATOM 449 C LYS A 29 37.922 28.873 11.080 1.00 50.51 C ATOM 450 O LYS A 29 38.741 29.568 10.430 1.00 49.49 O ATOM 451 CB LYS A 29 36.555 27.004 10.068 1.00 49.82 C ATOM 452 CG LYS A 29 36.473 25.544 9.640 1.00 49.82 C ATOM 453 CD LYS A 29 35.118 25.223 9.028 1.00 49.82 C ATOM 454 CE LYS A 29 35.025 23.758 8.624 1.00 50.21 C ATOM 455 NZ LYS A 29 33.694 23.423 8.050 1.00 49.70 N ATOM 0 H LYS A 29 36.897 26.142 12.389 1.00 49.53 H new ATOM 0 HA LYS A 29 38.653 26.950 10.368 1.00 50.07 H new ATOM 0 HB2 LYS A 29 35.663 27.252 10.642 1.00 49.82 H new ATOM 0 HB3 LYS A 29 36.546 27.632 9.177 1.00 49.82 H new ATOM 0 HG2 LYS A 29 37.261 25.330 8.918 1.00 49.82 H new ATOM 0 HG3 LYS A 29 36.647 24.900 10.502 1.00 49.82 H new ATOM 0 HD2 LYS A 29 34.329 25.456 9.744 1.00 49.82 H new ATOM 0 HD3 LYS A 29 34.952 25.854 8.155 1.00 49.82 H new ATOM 0 HE2 LYS A 29 35.802 23.533 7.894 1.00 50.21 H new ATOM 0 HE3 LYS A 29 35.214 23.129 9.494 1.00 50.21 H new ATOM 0 HZ1 LYS A 29 33.672 22.417 7.788 1.00 49.70 H new ATOM 0 HZ2 LYS A 29 32.954 23.613 8.755 1.00 49.70 H new ATOM 0 HZ3 LYS A 29 33.524 24.005 7.205 1.00 49.70 H new ATOM 469 N ILE A 30 37.153 29.411 12.027 1.00 49.53 N ATOM 470 CA ILE A 30 37.211 30.863 12.274 1.00 50.07 C ATOM 471 C ILE A 30 38.549 31.328 12.863 1.00 50.51 C ATOM 472 O ILE A 30 38.865 32.539 12.804 1.00 49.49 O ATOM 473 CB ILE A 30 36.075 31.315 13.210 1.00 49.91 C ATOM 474 CG1 ILE A 30 34.712 31.051 12.562 1.00 49.82 C ATOM 475 CG2 ILE A 30 36.226 32.787 13.559 1.00 49.73 C ATOM 476 CD1 ILE A 30 33.539 31.365 13.460 1.00 49.73 C ATOM 0 H ILE A 30 36.504 28.892 12.619 1.00 49.53 H new ATOM 0 HA ILE A 30 37.098 31.325 11.293 1.00 50.07 H new ATOM 0 HB ILE A 30 36.135 30.737 14.132 1.00 49.91 H new ATOM 0 HG12 ILE A 30 34.631 31.647 11.653 1.00 49.82 H new ATOM 0 HG13 ILE A 30 34.659 30.004 12.263 1.00 49.82 H new ATOM 0 HG21 ILE A 30 35.415 33.089 14.221 1.00 49.73 H new ATOM 0 HG22 ILE A 30 37.181 32.946 14.060 1.00 49.73 H new ATOM 0 HG23 ILE A 30 36.191 33.383 12.647 1.00 49.73 H new ATOM 0 HD11 ILE A 30 32.609 31.153 12.932 1.00 49.73 H new ATOM 0 HD12 ILE A 30 33.594 30.751 14.359 1.00 49.73 H new ATOM 0 HD13 ILE A 30 33.566 32.418 13.739 1.00 49.73 H new ATOM 488 N GLN A 31 39.297 30.450 13.482 1.00 49.53 N ATOM 489 CA GLN A 31 40.608 30.902 14.046 1.00 50.07 C ATOM 490 C GLN A 31 41.419 31.461 12.865 1.00 50.51 C ATOM 491 O GLN A 31 42.250 32.397 12.929 1.00 49.49 O ATOM 492 CB GLN A 31 41.354 29.743 14.711 1.00 49.82 C ATOM 493 CG GLN A 31 42.576 30.166 15.508 1.00 49.82 C ATOM 494 CD GLN A 31 43.784 30.417 14.627 1.00 50.55 C ATOM 495 OE1 GLN A 31 44.000 29.720 13.631 1.00 49.45 O ATOM 496 NE2 GLN A 31 44.584 31.413 14.991 1.00 49.38 N ATOM 0 H GLN A 31 39.067 29.466 13.620 1.00 49.53 H new ATOM 0 HA GLN A 31 40.457 31.657 14.817 1.00 50.07 H new ATOM 0 HB2 GLN A 31 40.667 29.215 15.373 1.00 49.82 H new ATOM 0 HB3 GLN A 31 41.663 29.035 13.942 1.00 49.82 H new ATOM 0 HG2 GLN A 31 42.345 31.072 16.069 1.00 49.82 H new ATOM 0 HG3 GLN A 31 42.816 29.392 16.237 1.00 49.82 H new ATOM 0 HE21 GLN A 31 44.367 31.964 15.822 1.00 49.38 H new ATOM 0 HE22 GLN A 31 45.415 31.627 14.440 1.00 49.38 H new ATOM 505 N ASP A 32 41.199 30.835 11.733 1.00 49.53 N ATOM 506 CA ASP A 32 41.888 31.262 10.493 1.00 50.07 C ATOM 507 C ASP A 32 41.510 32.622 9.947 1.00 50.51 C ATOM 508 O ASP A 32 42.282 33.320 9.249 1.00 49.49 O ATOM 509 CB ASP A 32 41.681 30.210 9.401 1.00 49.72 C ATOM 510 CG ASP A 32 41.964 28.781 9.842 1.00 50.62 C ATOM 511 OD1 ASP A 32 41.262 28.293 10.696 1.00 49.24 O ATOM 512 OD2 ASP A 32 42.773 28.137 9.218 1.00 49.24 O ATOM 0 H ASP A 32 40.566 30.043 11.623 1.00 49.53 H new ATOM 0 HA ASP A 32 42.934 31.357 10.785 1.00 50.07 H new ATOM 0 HB2 ASP A 32 40.652 30.271 9.046 1.00 49.72 H new ATOM 0 HB3 ASP A 32 42.325 30.450 8.555 1.00 49.72 H new ATOM 517 N LYS A 33 40.271 33.074 10.217 1.00 49.53 N ATOM 518 CA LYS A 33 39.885 34.366 9.589 1.00 50.07 C ATOM 519 C LYS A 33 39.828 35.508 10.542 1.00 50.51 C ATOM 520 O LYS A 33 40.127 36.662 10.078 1.00 49.49 O ATOM 521 CB LYS A 33 38.537 34.223 8.880 1.00 49.82 C ATOM 522 CG LYS A 33 38.029 35.503 8.230 1.00 49.82 C ATOM 523 CD LYS A 33 38.854 35.869 7.005 1.00 49.82 C ATOM 524 CE LYS A 33 38.316 37.119 6.328 1.00 50.21 C ATOM 525 NZ LYS A 33 39.033 37.418 5.059 1.00 49.70 N ATOM 0 H LYS A 33 39.573 32.621 10.807 1.00 49.53 H new ATOM 0 HA LYS A 33 40.674 34.599 8.873 1.00 50.07 H new ATOM 0 HB2 LYS A 33 38.623 33.451 8.115 1.00 49.82 H new ATOM 0 HB3 LYS A 33 37.796 33.877 9.601 1.00 49.82 H new ATOM 0 HG2 LYS A 33 36.985 35.378 7.943 1.00 49.82 H new ATOM 0 HG3 LYS A 33 38.065 36.319 8.952 1.00 49.82 H new ATOM 0 HD2 LYS A 33 39.892 36.030 7.298 1.00 49.82 H new ATOM 0 HD3 LYS A 33 38.847 35.039 6.298 1.00 49.82 H new ATOM 0 HE2 LYS A 33 37.253 36.991 6.122 1.00 50.21 H new ATOM 0 HE3 LYS A 33 38.410 37.967 7.006 1.00 50.21 H new ATOM 0 HZ1 LYS A 33 38.635 38.278 4.630 1.00 49.70 H new ATOM 0 HZ2 LYS A 33 40.043 37.566 5.258 1.00 49.70 H new ATOM 0 HZ3 LYS A 33 38.923 36.620 4.401 1.00 49.70 H new ATOM 539 N GLU A 34 39.599 35.360 11.817 1.00 49.53 N ATOM 540 CA GLU A 34 39.536 36.432 12.784 1.00 50.07 C ATOM 541 C GLU A 34 40.738 36.389 13.693 1.00 50.51 C ATOM 542 O GLU A 34 41.319 37.438 13.986 1.00 49.49 O ATOM 543 CB GLU A 34 38.247 36.343 13.604 1.00 49.82 C ATOM 544 CG GLU A 34 36.972 36.513 12.791 1.00 49.72 C ATOM 545 CD GLU A 34 36.963 37.826 12.057 1.00 50.62 C ATOM 546 OE1 GLU A 34 37.270 38.825 12.661 1.00 49.24 O ATOM 547 OE2 GLU A 34 36.759 37.815 10.866 1.00 49.24 O ATOM 0 H GLU A 34 39.443 34.443 12.236 1.00 49.53 H new ATOM 0 HA GLU A 34 39.538 37.380 12.247 1.00 50.07 H new ATOM 0 HB2 GLU A 34 38.217 35.376 14.107 1.00 49.82 H new ATOM 0 HB3 GLU A 34 38.272 37.106 14.382 1.00 49.82 H new ATOM 0 HG2 GLU A 34 36.881 35.694 12.077 1.00 49.72 H new ATOM 0 HG3 GLU A 34 36.107 36.457 13.452 1.00 49.72 H new ATOM 554 N GLY A 35 41.078 35.218 14.207 1.00 49.53 N ATOM 555 CA GLY A 35 42.245 35.036 15.029 1.00 49.98 C ATOM 556 C GLY A 35 41.845 34.740 16.420 1.00 50.51 C ATOM 557 O GLY A 35 42.720 34.654 17.322 1.00 49.49 O ATOM 0 H GLY A 35 40.541 34.364 14.059 1.00 49.53 H new ATOM 0 HA2 GLY A 35 42.853 34.221 14.636 1.00 49.98 H new ATOM 0 HA3 GLY A 35 42.861 35.935 15.003 1.00 49.98 H new ATOM 561 N ILE A 36 40.548 34.482 16.660 1.00 49.53 N ATOM 562 CA ILE A 36 40.129 34.178 18.037 1.00 50.07 C ATOM 563 C ILE A 36 40.398 32.699 18.258 1.00 50.51 C ATOM 564 O ILE A 36 39.889 31.843 17.514 1.00 49.49 O ATOM 565 CB ILE A 36 38.638 34.481 18.272 1.00 49.91 C ATOM 566 CG1 ILE A 36 38.334 35.948 17.955 1.00 49.82 C ATOM 567 CG2 ILE A 36 38.247 34.150 19.705 1.00 49.73 C ATOM 568 CD1 ILE A 36 39.245 36.925 18.661 1.00 49.73 C ATOM 0 H ILE A 36 39.807 34.477 15.959 1.00 49.53 H new ATOM 0 HA ILE A 36 40.684 34.803 18.736 1.00 50.07 H new ATOM 0 HB ILE A 36 38.048 33.855 17.602 1.00 49.91 H new ATOM 0 HG12 ILE A 36 38.415 36.102 16.879 1.00 49.82 H new ATOM 0 HG13 ILE A 36 37.302 36.163 18.231 1.00 49.82 H new ATOM 0 HG21 ILE A 36 37.190 34.370 19.854 1.00 49.73 H new ATOM 0 HG22 ILE A 36 38.428 33.092 19.896 1.00 49.73 H new ATOM 0 HG23 ILE A 36 38.843 34.750 20.393 1.00 49.73 H new ATOM 0 HD11 ILE A 36 38.969 37.943 18.387 1.00 49.73 H new ATOM 0 HD12 ILE A 36 39.147 36.800 19.739 1.00 49.73 H new ATOM 0 HD13 ILE A 36 40.278 36.738 18.367 1.00 49.73 H new ATOM 580 N PRO A 37 41.172 32.375 19.288 1.00 49.71 N ATOM 581 CA PRO A 37 41.492 30.983 19.649 1.00 50.02 C ATOM 582 C PRO A 37 40.226 30.184 19.898 1.00 50.51 C ATOM 583 O PRO A 37 39.324 30.704 20.606 1.00 49.49 O ATOM 584 CB PRO A 37 42.253 31.203 20.991 1.00 49.82 C ATOM 585 CG PRO A 37 42.921 32.532 20.799 1.00 49.82 C ATOM 586 CD PRO A 37 41.801 33.373 20.203 1.00 50.00 C ATOM 0 HA PRO A 37 42.043 30.435 18.885 1.00 50.02 H new ATOM 0 HB2 PRO A 37 41.572 31.215 21.842 1.00 49.82 H new ATOM 0 HB3 PRO A 37 42.979 30.411 21.175 1.00 49.82 H new ATOM 0 HG2 PRO A 37 43.283 32.945 21.740 1.00 49.82 H new ATOM 0 HG3 PRO A 37 43.779 32.463 20.130 1.00 49.82 H new ATOM 0 HD2 PRO A 37 41.107 33.737 20.961 1.00 50.00 H new ATOM 0 HD3 PRO A 37 42.177 34.246 19.670 1.00 50.00 H new ATOM 594 N PRO A 38 40.138 28.970 19.412 1.00 49.71 N ATOM 595 CA PRO A 38 38.922 28.166 19.616 1.00 50.02 C ATOM 596 C PRO A 38 38.567 27.978 21.067 1.00 50.51 C ATOM 597 O PRO A 38 37.371 27.881 21.454 1.00 49.49 O ATOM 598 CB PRO A 38 39.212 26.877 18.854 1.00 49.82 C ATOM 599 CG PRO A 38 40.165 27.336 17.753 1.00 49.82 C ATOM 600 CD PRO A 38 41.114 28.261 18.547 1.00 50.00 C ATOM 0 HA PRO A 38 38.023 28.654 19.241 1.00 50.02 H new ATOM 0 HB2 PRO A 38 39.669 26.123 19.495 1.00 49.82 H new ATOM 0 HB3 PRO A 38 38.303 26.438 18.444 1.00 49.82 H new ATOM 0 HG2 PRO A 38 40.694 26.502 17.292 1.00 49.82 H new ATOM 0 HG3 PRO A 38 39.647 27.866 16.954 1.00 49.82 H new ATOM 0 HD2 PRO A 38 41.851 27.702 19.124 1.00 50.00 H new ATOM 0 HD3 PRO A 38 41.666 28.942 17.900 1.00 50.00 H new ATOM 608 N ASP A 39 39.544 27.918 21.940 1.00 49.53 N ATOM 609 CA ASP A 39 39.275 27.677 23.382 1.00 50.07 C ATOM 610 C ASP A 39 38.513 28.878 23.929 1.00 50.51 C ATOM 611 O ASP A 39 37.826 28.826 24.986 1.00 49.49 O ATOM 612 CB ASP A 39 40.578 27.467 24.156 1.00 49.72 C ATOM 613 CG ASP A 39 41.344 26.208 23.767 1.00 50.62 C ATOM 614 OD1 ASP A 39 40.734 25.169 23.676 1.00 49.24 O ATOM 615 OD2 ASP A 39 42.493 26.322 23.413 1.00 49.24 O ATOM 0 H ASP A 39 40.530 28.028 21.704 1.00 49.53 H new ATOM 0 HA ASP A 39 38.681 26.771 23.499 1.00 50.07 H new ATOM 0 HB2 ASP A 39 41.222 28.332 24.001 1.00 49.72 H new ATOM 0 HB3 ASP A 39 40.351 27.425 25.221 1.00 49.72 H new ATOM 620 N GLN A 40 38.521 29.972 23.186 1.00 49.53 N ATOM 621 CA GLN A 40 37.779 31.173 23.638 1.00 50.07 C ATOM 622 C GLN A 40 36.430 31.408 22.932 1.00 50.51 C ATOM 623 O GLN A 40 35.858 32.480 23.090 1.00 49.49 O ATOM 624 CB GLN A 40 38.652 32.419 23.470 1.00 49.82 C ATOM 625 CG GLN A 40 39.909 32.418 24.324 1.00 49.82 C ATOM 626 CD GLN A 40 40.782 33.633 24.071 1.00 50.55 C ATOM 627 OE1 GLN A 40 40.447 34.496 23.256 1.00 49.45 O ATOM 628 NE2 GLN A 40 41.911 33.703 24.766 1.00 49.38 N ATOM 0 H GLN A 40 39.009 30.070 22.296 1.00 49.53 H new ATOM 0 HA GLN A 40 37.545 30.985 24.686 1.00 50.07 H new ATOM 0 HB2 GLN A 40 38.938 32.510 22.422 1.00 49.82 H new ATOM 0 HB3 GLN A 40 38.059 33.300 23.716 1.00 49.82 H new ATOM 0 HG2 GLN A 40 39.629 32.388 25.377 1.00 49.82 H new ATOM 0 HG3 GLN A 40 40.482 31.514 24.121 1.00 49.82 H new ATOM 0 HE21 GLN A 40 42.148 32.966 25.430 1.00 49.38 H new ATOM 0 HE22 GLN A 40 42.542 34.494 24.636 1.00 49.38 H new ATOM 637 N GLN A 41 35.935 30.428 22.209 1.00 49.53 N ATOM 638 CA GLN A 41 34.707 30.533 21.459 1.00 50.07 C ATOM 639 C GLN A 41 33.662 29.589 22.014 1.00 50.51 C ATOM 640 O GLN A 41 33.714 28.371 21.925 1.00 49.49 O ATOM 641 CB GLN A 41 34.954 30.222 19.979 1.00 49.82 C ATOM 642 CG GLN A 41 35.849 31.226 19.274 1.00 49.82 C ATOM 643 CD GLN A 41 35.762 31.118 17.763 1.00 50.55 C ATOM 644 OE1 GLN A 41 34.839 31.649 17.140 1.00 49.45 O ATOM 645 NE2 GLN A 41 36.723 30.422 17.164 1.00 49.38 N ATOM 0 H GLN A 41 36.386 29.517 22.126 1.00 49.53 H new ATOM 0 HA GLN A 41 34.341 31.556 21.549 1.00 50.07 H new ATOM 0 HB2 GLN A 41 35.402 29.232 19.897 1.00 49.82 H new ATOM 0 HB3 GLN A 41 33.995 30.181 19.463 1.00 49.82 H new ATOM 0 HG2 GLN A 41 35.571 32.234 19.580 1.00 49.82 H new ATOM 0 HG3 GLN A 41 36.881 31.071 19.588 1.00 49.82 H new ATOM 0 HE21 GLN A 41 37.468 29.999 17.718 1.00 49.38 H new ATOM 0 HE22 GLN A 41 36.716 30.310 16.150 1.00 49.38 H new ATOM 654 N ARG A 42 32.555 30.185 22.455 1.00 49.53 N ATOM 655 CA ARG A 42 31.358 29.390 22.873 1.00 50.07 C ATOM 656 C ARG A 42 30.206 29.807 21.986 1.00 50.51 C ATOM 657 O ARG A 42 29.875 31.060 22.012 1.00 49.49 O ATOM 658 CB ARG A 42 31.034 29.549 24.351 1.00 49.82 C ATOM 659 CG ARG A 42 29.943 28.624 24.868 1.00 49.82 C ATOM 660 CD ARG A 42 29.492 28.923 26.252 1.00 50.20 C ATOM 661 NE ARG A 42 30.479 28.639 27.282 1.00 49.30 N ATOM 662 CZ ARG A 42 30.661 27.434 27.856 1.00 50.64 C ATOM 663 NH1 ARG A 42 29.904 26.409 27.533 1.00 49.20 N ATOM 664 NH2 ARG A 42 31.607 27.314 28.771 1.00 49.20 N ATOM 0 H ARG A 42 32.443 31.195 22.538 1.00 49.53 H new ATOM 0 HA ARG A 42 31.562 28.326 22.750 1.00 50.07 H new ATOM 0 HB2 ARG A 42 31.942 29.375 24.928 1.00 49.82 H new ATOM 0 HB3 ARG A 42 30.733 30.581 24.534 1.00 49.82 H new ATOM 0 HG2 ARG A 42 29.085 28.683 24.198 1.00 49.82 H new ATOM 0 HG3 ARG A 42 30.306 27.597 24.831 1.00 49.82 H new ATOM 0 HD2 ARG A 42 29.216 29.976 26.311 1.00 50.20 H new ATOM 0 HD3 ARG A 42 28.591 28.345 26.460 1.00 50.20 H new ATOM 0 HE ARG A 42 31.075 29.406 27.591 1.00 49.30 H new ATOM 0 HH11 ARG A 42 29.165 26.519 26.838 1.00 49.20 H new ATOM 0 HH12 ARG A 42 30.055 25.503 27.977 1.00 49.20 H new ATOM 0 HH21 ARG A 42 32.176 28.121 29.025 1.00 49.20 H new ATOM 0 HH22 ARG A 42 31.768 26.414 29.223 1.00 49.20 H new ATOM 678 N LEU A 43 29.646 28.912 21.174 1.00 49.53 N ATOM 679 CA LEU A 43 28.550 29.295 20.250 1.00 50.07 C ATOM 680 C LEU A 43 27.146 28.937 20.726 1.00 50.51 C ATOM 681 O LEU A 43 26.957 27.832 21.252 1.00 49.49 O ATOM 682 CB LEU A 43 28.800 28.674 18.869 1.00 49.82 C ATOM 683 CG LEU A 43 30.190 28.938 18.277 1.00 49.91 C ATOM 684 CD1 LEU A 43 30.428 28.027 17.080 1.00 49.73 C ATOM 685 CD2 LEU A 43 30.301 30.400 17.872 1.00 49.73 C ATOM 0 H LEU A 43 29.918 27.930 21.127 1.00 49.53 H new ATOM 0 HA LEU A 43 28.573 30.384 20.208 1.00 50.07 H new ATOM 0 HB2 LEU A 43 28.652 27.597 18.940 1.00 49.82 H new ATOM 0 HB3 LEU A 43 28.049 29.054 18.176 1.00 49.82 H new ATOM 0 HG LEU A 43 30.952 28.723 19.027 1.00 49.91 H new ATOM 0 HD11 LEU A 43 31.417 28.221 16.666 1.00 49.73 H new ATOM 0 HD12 LEU A 43 30.365 26.986 17.397 1.00 49.73 H new ATOM 0 HD13 LEU A 43 29.672 28.221 16.319 1.00 49.73 H new ATOM 0 HD21 LEU A 43 31.289 30.587 17.451 1.00 49.73 H new ATOM 0 HD22 LEU A 43 29.540 30.630 17.126 1.00 49.73 H new ATOM 0 HD23 LEU A 43 30.154 31.032 18.748 1.00 49.73 H new ATOM 697 N ILE A 44 26.234 29.897 20.616 1.00 49.53 N ATOM 698 CA ILE A 44 24.857 29.741 21.070 1.00 50.07 C ATOM 699 C ILE A 44 23.766 29.792 20.008 1.00 50.51 C ATOM 700 O ILE A 44 23.631 30.738 19.259 1.00 49.49 O ATOM 701 CB ILE A 44 24.522 30.789 22.148 1.00 49.91 C ATOM 702 CG1 ILE A 44 25.586 30.783 23.248 1.00 49.82 C ATOM 703 CG2 ILE A 44 23.144 30.526 22.735 1.00 49.73 C ATOM 704 CD1 ILE A 44 25.532 29.565 24.143 1.00 49.73 C ATOM 0 H ILE A 44 26.431 30.810 20.207 1.00 49.53 H new ATOM 0 HA ILE A 44 24.844 28.721 21.454 1.00 50.07 H new ATOM 0 HB ILE A 44 24.514 31.775 21.682 1.00 49.91 H new ATOM 0 HG12 ILE A 44 26.572 30.840 22.787 1.00 49.82 H new ATOM 0 HG13 ILE A 44 25.468 31.677 23.860 1.00 49.82 H new ATOM 0 HG21 ILE A 44 22.923 31.275 23.495 1.00 49.73 H new ATOM 0 HG22 ILE A 44 22.396 30.579 21.944 1.00 49.73 H new ATOM 0 HG23 ILE A 44 23.124 29.534 23.187 1.00 49.73 H new ATOM 0 HD11 ILE A 44 26.316 29.633 24.897 1.00 49.73 H new ATOM 0 HD12 ILE A 44 24.560 29.517 24.633 1.00 49.73 H new ATOM 0 HD13 ILE A 44 25.681 28.667 23.544 1.00 49.73 H new ATOM 716 N PHE A 45 22.943 28.709 19.990 1.00 49.53 N ATOM 717 CA PHE A 45 21.806 28.621 19.062 1.00 50.07 C ATOM 718 C PHE A 45 20.475 28.334 19.782 1.00 50.51 C ATOM 719 O PHE A 45 20.281 27.297 20.419 1.00 49.49 O ATOM 720 CB PHE A 45 22.068 27.547 18.005 1.00 49.82 C ATOM 721 CG PHE A 45 21.135 27.612 16.830 1.00 50.00 C ATOM 722 CD1 PHE A 45 21.330 28.544 15.822 1.00 49.88 C ATOM 723 CD2 PHE A 45 20.059 26.743 16.730 1.00 49.88 C ATOM 724 CE1 PHE A 45 20.471 28.605 14.740 1.00 49.88 C ATOM 725 CE2 PHE A 45 19.200 26.801 15.650 1.00 49.88 C ATOM 726 CZ PHE A 45 19.407 27.733 14.654 1.00 49.88 C ATOM 0 H PHE A 45 23.051 27.900 20.602 1.00 49.53 H new ATOM 0 HA PHE A 45 21.711 29.595 18.583 1.00 50.07 H new ATOM 0 HB2 PHE A 45 23.093 27.644 17.648 1.00 49.82 H new ATOM 0 HB3 PHE A 45 21.984 26.565 18.470 1.00 49.82 H new ATOM 0 HD1 PHE A 45 22.162 29.230 15.883 1.00 49.88 H new ATOM 0 HD2 PHE A 45 19.891 26.012 17.507 1.00 49.88 H new ATOM 0 HE1 PHE A 45 20.634 29.336 13.962 1.00 49.88 H new ATOM 0 HE2 PHE A 45 18.367 26.117 15.585 1.00 49.88 H new ATOM 0 HZ PHE A 45 18.737 27.779 13.809 1.00 49.88 H new ATOM 736 N ALA A 46 19.604 29.298 19.618 1.00 49.53 N ATOM 737 CA ALA A 46 18.230 29.248 20.157 1.00 50.07 C ATOM 738 C ALA A 46 18.227 29.036 21.663 1.00 50.51 C ATOM 739 O ALA A 46 17.444 28.246 22.211 1.00 49.49 O ATOM 740 CB ALA A 46 17.444 28.174 19.476 1.00 49.73 C ATOM 0 H ALA A 46 19.811 30.155 19.105 1.00 49.53 H new ATOM 0 HA ALA A 46 17.759 30.211 19.959 1.00 50.07 H new ATOM 0 HB1 ALA A 46 16.433 28.149 19.883 1.00 49.73 H new ATOM 0 HB2 ALA A 46 17.399 28.379 18.406 1.00 49.73 H new ATOM 0 HB3 ALA A 46 17.926 27.210 19.641 1.00 49.73 H new ATOM 746 N GLY A 47 19.140 29.710 22.301 1.00 49.53 N ATOM 747 CA GLY A 47 19.411 29.730 23.708 1.00 49.98 C ATOM 748 C GLY A 47 19.947 28.418 24.221 1.00 50.51 C ATOM 749 O GLY A 47 20.155 28.272 25.446 1.00 49.49 O ATOM 0 H GLY A 47 19.779 30.323 21.794 1.00 49.53 H new ATOM 0 HA2 GLY A 47 20.131 30.520 23.923 1.00 49.98 H new ATOM 0 HA3 GLY A 47 18.496 29.978 24.246 1.00 49.98 H new ATOM 753 N LYS A 48 20.226 27.486 23.351 1.00 49.53 N ATOM 754 CA LYS A 48 20.799 26.190 23.739 1.00 50.07 C ATOM 755 C LYS A 48 22.331 26.329 23.673 1.00 50.51 C ATOM 756 O LYS A 48 22.831 26.735 22.635 1.00 49.49 O ATOM 757 CB LYS A 48 20.314 25.075 22.811 1.00 49.82 C ATOM 758 CG LYS A 48 18.800 24.909 22.764 1.00 49.82 C ATOM 759 CD LYS A 48 18.398 23.758 21.855 1.00 49.82 C ATOM 760 CE LYS A 48 18.671 22.413 22.510 1.00 50.21 C ATOM 761 NZ LYS A 48 17.767 22.163 23.666 1.00 49.70 N ATOM 0 H LYS A 48 20.069 27.587 22.348 1.00 49.53 H new ATOM 0 HA LYS A 48 20.482 25.922 24.747 1.00 50.07 H new ATOM 0 HB2 LYS A 48 20.677 25.275 21.803 1.00 49.82 H new ATOM 0 HB3 LYS A 48 20.761 24.133 23.130 1.00 49.82 H new ATOM 0 HG2 LYS A 48 18.420 24.730 23.770 1.00 49.82 H new ATOM 0 HG3 LYS A 48 18.342 25.832 22.410 1.00 49.82 H new ATOM 0 HD2 LYS A 48 17.339 23.838 21.611 1.00 49.82 H new ATOM 0 HD3 LYS A 48 18.947 23.825 20.916 1.00 49.82 H new ATOM 0 HE2 LYS A 48 18.546 21.619 21.774 1.00 50.21 H new ATOM 0 HE3 LYS A 48 19.707 22.377 22.846 1.00 50.21 H new ATOM 0 HZ1 LYS A 48 17.790 21.153 23.913 1.00 49.70 H new ATOM 0 HZ2 LYS A 48 18.082 22.726 24.481 1.00 49.70 H new ATOM 0 HZ3 LYS A 48 16.796 22.435 23.412 1.00 49.70 H new ATOM 775 N GLN A 49 23.018 25.991 24.730 1.00 49.53 N ATOM 776 CA GLN A 49 24.508 25.990 24.685 1.00 50.07 C ATOM 777 C GLN A 49 24.985 24.751 23.933 1.00 50.51 C ATOM 778 O GLN A 49 24.601 23.620 24.333 1.00 49.49 O ATOM 779 CB GLN A 49 25.095 26.005 26.099 1.00 49.82 C ATOM 780 CG GLN A 49 24.834 27.289 26.868 1.00 49.82 C ATOM 781 CD GLN A 49 25.368 27.232 28.287 1.00 50.55 C ATOM 782 OE1 GLN A 49 24.784 26.582 29.160 1.00 49.45 O ATOM 783 NE2 GLN A 49 26.478 27.917 28.529 1.00 49.38 N ATOM 0 H GLN A 49 22.611 25.715 25.624 1.00 49.53 H new ATOM 0 HA GLN A 49 24.848 26.888 24.169 1.00 50.07 H new ATOM 0 HB2 GLN A 49 24.681 25.168 26.661 1.00 49.82 H new ATOM 0 HB3 GLN A 49 26.171 25.845 26.035 1.00 49.82 H new ATOM 0 HG2 GLN A 49 25.296 28.125 26.342 1.00 49.82 H new ATOM 0 HG3 GLN A 49 23.762 27.482 26.894 1.00 49.82 H new ATOM 0 HE21 GLN A 49 26.928 28.441 27.778 1.00 49.38 H new ATOM 0 HE22 GLN A 49 26.881 27.920 29.466 1.00 49.38 H new ATOM 792 N LEU A 50 25.738 24.927 22.874 1.00 49.53 N ATOM 793 CA LEU A 50 26.180 23.809 22.024 1.00 50.07 C ATOM 794 C LEU A 50 27.379 23.015 22.514 1.00 50.51 C ATOM 795 O LEU A 50 28.161 23.574 23.257 1.00 49.49 O ATOM 796 CB LEU A 50 26.458 24.327 20.609 1.00 49.82 C ATOM 797 CG LEU A 50 25.298 25.084 19.950 1.00 49.91 C ATOM 798 CD1 LEU A 50 25.654 25.437 18.512 1.00 49.73 C ATOM 799 CD2 LEU A 50 24.040 24.231 20.000 1.00 49.73 C ATOM 0 H LEU A 50 26.070 25.840 22.564 1.00 49.53 H new ATOM 0 HA LEU A 50 25.353 23.100 22.053 1.00 50.07 H new ATOM 0 HB2 LEU A 50 27.326 24.985 20.644 1.00 49.82 H new ATOM 0 HB3 LEU A 50 26.725 23.481 19.976 1.00 49.82 H new ATOM 0 HG LEU A 50 25.115 26.011 20.493 1.00 49.91 H new ATOM 0 HD11 LEU A 50 24.824 25.974 18.053 1.00 49.73 H new ATOM 0 HD12 LEU A 50 26.544 26.067 18.501 1.00 49.73 H new ATOM 0 HD13 LEU A 50 25.849 24.523 17.951 1.00 49.73 H new ATOM 0 HD21 LEU A 50 23.216 24.770 19.532 1.00 49.73 H new ATOM 0 HD22 LEU A 50 24.213 23.296 19.466 1.00 49.73 H new ATOM 0 HD23 LEU A 50 23.788 24.015 21.038 1.00 49.73 H new ATOM 811 N GLU A 51 27.497 21.759 22.084 1.00 49.53 N ATOM 812 CA GLU A 51 28.610 20.905 22.555 1.00 50.07 C ATOM 813 C GLU A 51 29.682 20.686 21.524 1.00 50.51 C ATOM 814 O GLU A 51 29.361 20.543 20.346 1.00 49.49 O ATOM 815 CB GLU A 51 28.070 19.553 23.030 1.00 49.82 C ATOM 816 CG GLU A 51 29.128 18.618 23.597 1.00 49.72 C ATOM 817 CD GLU A 51 29.571 19.060 24.964 1.00 50.62 C ATOM 818 OE1 GLU A 51 29.016 20.005 25.472 1.00 49.24 O ATOM 819 OE2 GLU A 51 30.386 18.387 25.549 1.00 49.24 O ATOM 0 H GLU A 51 26.858 21.310 21.427 1.00 49.53 H new ATOM 0 HA GLU A 51 29.076 21.442 23.381 1.00 50.07 H new ATOM 0 HB2 GLU A 51 27.310 19.726 23.792 1.00 49.82 H new ATOM 0 HB3 GLU A 51 27.576 19.059 22.194 1.00 49.82 H new ATOM 0 HG2 GLU A 51 28.730 17.605 23.651 1.00 49.72 H new ATOM 0 HG3 GLU A 51 29.987 18.587 22.926 1.00 49.72 H new ATOM 826 N ASP A 52 30.939 20.650 21.893 1.00 49.53 N ATOM 827 CA ASP A 52 32.093 20.534 21.007 1.00 50.07 C ATOM 828 C ASP A 52 32.040 19.252 20.192 1.00 50.51 C ATOM 829 O ASP A 52 32.640 19.219 19.081 1.00 49.49 O ATOM 830 CB ASP A 52 33.393 20.590 21.812 1.00 49.72 C ATOM 831 CG ASP A 52 33.719 21.962 22.386 1.00 50.62 C ATOM 832 OD1 ASP A 52 32.962 22.876 22.156 1.00 49.24 O ATOM 833 OD2 ASP A 52 34.630 22.054 23.174 1.00 49.24 O ATOM 0 H ASP A 52 31.210 20.703 22.875 1.00 49.53 H new ATOM 0 HA ASP A 52 32.065 21.376 20.316 1.00 50.07 H new ATOM 0 HB2 ASP A 52 33.330 19.873 22.630 1.00 49.72 H new ATOM 0 HB3 ASP A 52 34.216 20.272 21.172 1.00 49.72 H new ATOM 838 N GLY A 53 31.482 18.198 20.744 1.00 49.53 N ATOM 839 CA GLY A 53 31.405 16.869 20.109 1.00 49.98 C ATOM 840 C GLY A 53 30.073 16.566 19.507 1.00 50.51 C ATOM 841 O GLY A 53 29.713 15.383 19.308 1.00 49.49 O ATOM 0 H GLY A 53 31.054 18.225 21.669 1.00 49.53 H new ATOM 0 HA2 GLY A 53 32.168 16.802 19.333 1.00 49.98 H new ATOM 0 HA3 GLY A 53 31.639 16.107 20.852 1.00 49.98 H new ATOM 845 N ARG A 54 29.405 17.534 18.890 1.00 49.53 N ATOM 846 CA ARG A 54 28.119 17.293 18.205 1.00 50.07 C ATOM 847 C ARG A 54 28.244 18.004 16.865 1.00 50.51 C ATOM 848 O ARG A 54 29.018 18.974 16.731 1.00 49.49 O ATOM 849 CB ARG A 54 26.916 17.764 19.009 1.00 49.82 C ATOM 850 CG ARG A 54 26.834 17.208 20.422 1.00 49.82 C ATOM 851 CD ARG A 54 26.763 15.727 20.494 1.00 50.20 C ATOM 852 NE ARG A 54 26.544 15.198 21.830 1.00 49.30 N ATOM 853 CZ ARG A 54 27.518 14.970 22.733 1.00 50.64 C ATOM 854 NH1 ARG A 54 28.780 15.185 22.435 1.00 49.20 N ATOM 855 NH2 ARG A 54 27.173 14.499 23.919 1.00 49.20 N ATOM 0 H ARG A 54 29.726 18.501 18.844 1.00 49.53 H new ATOM 0 HA ARG A 54 27.935 16.226 18.078 1.00 50.07 H new ATOM 0 HB2 ARG A 54 26.937 18.852 19.063 1.00 49.82 H new ATOM 0 HB3 ARG A 54 26.008 17.489 18.472 1.00 49.82 H new ATOM 0 HG2 ARG A 54 27.705 17.546 20.984 1.00 49.82 H new ATOM 0 HG3 ARG A 54 25.956 17.626 20.914 1.00 49.82 H new ATOM 0 HD2 ARG A 54 25.959 15.383 19.844 1.00 50.20 H new ATOM 0 HD3 ARG A 54 27.691 15.312 20.100 1.00 50.20 H new ATOM 0 HE ARG A 54 25.585 14.984 22.104 1.00 49.30 H new ATOM 0 HH11 ARG A 54 29.034 15.529 21.509 1.00 49.20 H new ATOM 0 HH12 ARG A 54 29.505 15.008 23.130 1.00 49.20 H new ATOM 0 HH21 ARG A 54 26.192 14.318 24.130 1.00 49.20 H new ATOM 0 HH22 ARG A 54 27.888 14.317 24.623 1.00 49.20 H new ATOM 869 N THR A 55 27.437 17.605 15.913 1.00 49.53 N ATOM 870 CA THR A 55 27.374 18.221 14.568 1.00 50.07 C ATOM 871 C THR A 55 26.330 19.360 14.499 1.00 50.51 C ATOM 872 O THR A 55 25.565 19.556 15.436 1.00 49.49 O ATOM 873 CB THR A 55 27.044 17.174 13.487 1.00 50.14 C ATOM 874 OG1 THR A 55 25.739 16.631 13.727 1.00 49.34 O ATOM 875 CG2 THR A 55 28.069 16.051 13.502 1.00 49.73 C ATOM 0 H THR A 55 26.785 16.830 16.032 1.00 49.53 H new ATOM 0 HA THR A 55 28.362 18.640 14.379 1.00 50.07 H new ATOM 0 HB THR A 55 27.068 17.660 12.512 1.00 50.14 H new ATOM 0 HG1 THR A 55 25.530 15.966 13.038 1.00 49.34 H new ATOM 0 HG21 THR A 55 27.820 15.321 12.732 1.00 49.73 H new ATOM 0 HG22 THR A 55 29.060 16.460 13.307 1.00 49.73 H new ATOM 0 HG23 THR A 55 28.063 15.566 14.478 1.00 49.73 H new ATOM 883 N LEU A 56 26.331 20.063 13.384 1.00 49.53 N ATOM 884 CA LEU A 56 25.362 21.143 13.133 1.00 50.07 C ATOM 885 C LEU A 56 23.999 20.515 12.853 1.00 50.51 C ATOM 886 O LEU A 56 23.028 21.001 13.368 1.00 49.49 O ATOM 887 CB LEU A 56 25.816 22.012 11.954 1.00 49.82 C ATOM 888 CG LEU A 56 27.150 22.741 12.157 1.00 49.91 C ATOM 889 CD1 LEU A 56 27.569 23.430 10.865 1.00 49.73 C ATOM 890 CD2 LEU A 56 27.013 23.750 13.287 1.00 49.73 C ATOM 0 H LEU A 56 26.994 19.913 12.623 1.00 49.53 H new ATOM 0 HA LEU A 56 25.293 21.790 14.008 1.00 50.07 H new ATOM 0 HB2 LEU A 56 25.896 21.382 11.068 1.00 49.82 H new ATOM 0 HB3 LEU A 56 25.043 22.753 11.750 1.00 49.82 H new ATOM 0 HG LEU A 56 27.922 22.019 12.425 1.00 49.91 H new ATOM 0 HD11 LEU A 56 28.517 23.945 11.018 1.00 49.73 H new ATOM 0 HD12 LEU A 56 27.684 22.686 10.077 1.00 49.73 H new ATOM 0 HD13 LEU A 56 26.806 24.153 10.574 1.00 49.73 H new ATOM 0 HD21 LEU A 56 27.962 24.267 13.430 1.00 49.73 H new ATOM 0 HD22 LEU A 56 26.239 24.475 13.036 1.00 49.73 H new ATOM 0 HD23 LEU A 56 26.740 23.232 14.206 1.00 49.73 H new ATOM 902 N SER A 57 23.980 19.375 12.134 1.00 49.53 N ATOM 903 CA SER A 57 22.654 18.770 11.849 1.00 50.07 C ATOM 904 C SER A 57 21.861 18.283 13.042 1.00 50.51 C ATOM 905 O SER A 57 20.609 18.474 13.099 1.00 49.49 O ATOM 906 CB SER A 57 22.827 17.629 10.866 1.00 50.05 C ATOM 907 OG SER A 57 21.608 17.016 10.551 1.00 49.34 O ATOM 0 H SER A 57 24.793 18.883 11.764 1.00 49.53 H new ATOM 0 HA SER A 57 22.061 19.589 11.442 1.00 50.07 H new ATOM 0 HB2 SER A 57 23.290 18.004 9.953 1.00 50.05 H new ATOM 0 HB3 SER A 57 23.507 16.888 11.287 1.00 50.05 H new ATOM 0 HG SER A 57 21.763 16.288 9.914 1.00 49.34 H new ATOM 913 N ASP A 58 22.536 17.692 14.013 1.00 49.53 N ATOM 914 CA ASP A 58 21.855 17.181 15.232 1.00 50.07 C ATOM 915 C ASP A 58 21.045 18.278 15.930 1.00 50.51 C ATOM 916 O ASP A 58 20.208 18.029 16.802 1.00 49.49 O ATOM 917 CB ASP A 58 22.877 16.587 16.204 1.00 49.72 C ATOM 918 CG ASP A 58 23.590 15.344 15.686 1.00 50.62 C ATOM 919 OD1 ASP A 58 23.284 14.919 14.598 1.00 49.24 O ATOM 920 OD2 ASP A 58 24.537 14.926 16.306 1.00 49.24 O ATOM 0 H ASP A 58 23.545 17.546 14.000 1.00 49.53 H new ATOM 0 HA ASP A 58 21.162 16.401 14.917 1.00 50.07 H new ATOM 0 HB2 ASP A 58 23.622 17.347 16.438 1.00 49.72 H new ATOM 0 HB3 ASP A 58 22.371 16.339 17.137 1.00 49.72 H new ATOM 925 N TYR A 59 21.439 19.495 15.687 1.00 49.53 N ATOM 926 CA TYR A 59 20.799 20.690 16.236 1.00 50.07 C ATOM 927 C TYR A 59 19.817 21.348 15.293 1.00 50.51 C ATOM 928 O TYR A 59 19.189 22.342 15.710 1.00 49.49 O ATOM 929 CB TYR A 59 21.863 21.706 16.657 1.00 49.82 C ATOM 930 CG TYR A 59 22.740 21.239 17.797 1.00 50.00 C ATOM 931 CD1 TYR A 59 22.200 20.972 19.046 1.00 49.88 C ATOM 932 CD2 TYR A 59 24.105 21.067 17.622 1.00 49.88 C ATOM 933 CE1 TYR A 59 22.996 20.545 20.092 1.00 49.88 C ATOM 934 CE2 TYR A 59 24.912 20.640 18.659 1.00 49.88 C ATOM 935 CZ TYR A 59 24.352 20.380 19.894 1.00 50.11 C ATOM 936 OH TYR A 59 25.150 19.956 20.932 1.00 49.46 O ATOM 0 H TYR A 59 22.236 19.706 15.086 1.00 49.53 H new ATOM 0 HA TYR A 59 20.223 20.354 17.098 1.00 50.07 H new ATOM 0 HB2 TYR A 59 22.493 21.935 15.797 1.00 49.82 H new ATOM 0 HB3 TYR A 59 21.370 22.634 16.947 1.00 49.82 H new ATOM 0 HD1 TYR A 59 21.139 21.100 19.204 1.00 49.88 H new ATOM 0 HD2 TYR A 59 24.545 21.271 16.657 1.00 49.88 H new ATOM 0 HE1 TYR A 59 22.560 20.342 21.059 1.00 49.88 H new ATOM 0 HE2 TYR A 59 25.973 20.511 18.505 1.00 49.88 H new ATOM 0 HH TYR A 59 24.628 19.386 21.534 1.00 49.46 H new ATOM 946 N ASN A 60 19.587 20.863 14.092 1.00 49.53 N ATOM 947 CA ASN A 60 18.616 21.539 13.205 1.00 50.07 C ATOM 948 C ASN A 60 19.032 22.897 12.658 1.00 50.51 C ATOM 949 O ASN A 60 18.197 23.677 12.161 1.00 49.49 O ATOM 950 CB ASN A 60 17.268 21.668 13.891 1.00 49.82 C ATOM 951 CG ASN A 60 16.100 21.594 12.948 1.00 50.55 C ATOM 952 OD1 ASN A 60 16.092 20.804 11.996 1.00 49.45 O ATOM 953 ND2 ASN A 60 15.148 22.468 13.158 1.00 49.38 N ATOM 0 H ASN A 60 20.033 20.033 13.701 1.00 49.53 H new ATOM 0 HA ASN A 60 18.563 20.885 12.335 1.00 50.07 H new ATOM 0 HB2 ASN A 60 17.173 20.878 14.636 1.00 49.82 H new ATOM 0 HB3 ASN A 60 17.232 22.617 14.426 1.00 49.82 H new ATOM 0 HD21 ASN A 60 14.353 22.519 12.521 1.00 49.38 H new ATOM 0 HD22 ASN A 60 15.201 23.098 13.958 1.00 49.38 H new ATOM 960 N ILE A 61 20.322 23.164 12.642 1.00 49.53 N ATOM 961 CA ILE A 61 20.848 24.428 12.043 1.00 50.07 C ATOM 962 C ILE A 61 20.795 24.410 10.518 1.00 50.51 C ATOM 963 O ILE A 61 21.736 23.778 9.953 1.00 49.49 O ATOM 964 CB ILE A 61 22.296 24.700 12.490 1.00 49.91 C ATOM 965 CG1 ILE A 61 22.361 24.886 14.008 1.00 49.82 C ATOM 966 CG2 ILE A 61 22.851 25.923 11.776 1.00 49.73 C ATOM 967 CD1 ILE A 61 23.752 24.742 14.582 1.00 49.73 C ATOM 0 H ILE A 61 21.038 22.547 13.026 1.00 49.53 H new ATOM 0 HA ILE A 61 20.199 25.226 12.404 1.00 50.07 H new ATOM 0 HB ILE A 61 22.909 23.839 12.223 1.00 49.91 H new ATOM 0 HG12 ILE A 61 21.974 25.873 14.260 1.00 49.82 H new ATOM 0 HG13 ILE A 61 21.705 24.156 14.482 1.00 49.82 H new ATOM 0 HG21 ILE A 61 23.875 26.102 12.103 1.00 49.73 H new ATOM 0 HG22 ILE A 61 22.838 25.753 10.699 1.00 49.73 H new ATOM 0 HG23 ILE A 61 22.238 26.792 12.013 1.00 49.73 H new ATOM 0 HD11 ILE A 61 23.717 24.887 15.662 1.00 49.73 H new ATOM 0 HD12 ILE A 61 24.135 23.745 14.362 1.00 49.73 H new ATOM 0 HD13 ILE A 61 24.409 25.489 14.137 1.00 49.73 H new ATOM 979 N GLN A 62 19.784 24.977 9.921 1.00 49.53 N ATOM 980 CA GLN A 62 19.587 24.964 8.442 1.00 50.07 C ATOM 981 C GLN A 62 20.292 26.143 7.765 1.00 50.51 C ATOM 982 O GLN A 62 20.630 27.130 8.441 1.00 49.49 O ATOM 983 CB GLN A 62 18.094 24.996 8.103 1.00 49.82 C ATOM 984 CG GLN A 62 17.393 26.285 8.494 1.00 49.82 C ATOM 985 CD GLN A 62 15.902 26.239 8.222 1.00 50.55 C ATOM 986 OE1 GLN A 62 15.136 25.642 8.985 1.00 49.45 O ATOM 987 NE2 GLN A 62 15.481 26.864 7.129 1.00 49.38 N ATOM 0 H GLN A 62 19.049 25.474 10.425 1.00 49.53 H new ATOM 0 HA GLN A 62 20.028 24.042 8.064 1.00 50.07 H new ATOM 0 HB2 GLN A 62 17.973 24.841 7.031 1.00 49.82 H new ATOM 0 HB3 GLN A 62 17.602 24.162 8.603 1.00 49.82 H new ATOM 0 HG2 GLN A 62 17.560 26.479 9.553 1.00 49.82 H new ATOM 0 HG3 GLN A 62 17.834 27.116 7.944 1.00 49.82 H new ATOM 0 HE21 GLN A 62 16.149 27.345 6.527 1.00 49.38 H new ATOM 0 HE22 GLN A 62 14.489 26.863 6.891 1.00 49.38 H new ATOM 996 N LYS A 63 20.542 26.047 6.461 1.00 49.53 N ATOM 997 CA LYS A 63 21.257 27.068 5.727 1.00 50.07 C ATOM 998 C LYS A 63 20.687 28.395 6.218 1.00 50.51 C ATOM 999 O LYS A 63 19.558 28.512 6.665 1.00 49.49 O ATOM 1000 CB LYS A 63 21.063 26.907 4.218 1.00 49.82 C ATOM 1001 CG LYS A 63 21.851 27.901 3.374 1.00 49.82 C ATOM 1002 CD LYS A 63 21.672 27.627 1.887 1.00 49.82 C ATOM 1003 CE LYS A 63 22.484 28.599 1.044 1.00 50.21 C ATOM 1004 NZ LYS A 63 22.319 28.343 -0.413 1.00 49.70 N ATOM 0 H LYS A 63 20.250 25.254 5.890 1.00 49.53 H new ATOM 0 HA LYS A 63 22.332 27.004 5.897 1.00 50.07 H new ATOM 0 HB2 LYS A 63 21.353 25.896 3.932 1.00 49.82 H new ATOM 0 HB3 LYS A 63 20.003 27.012 3.987 1.00 49.82 H new ATOM 0 HG2 LYS A 63 21.523 28.915 3.601 1.00 49.82 H new ATOM 0 HG3 LYS A 63 22.908 27.843 3.632 1.00 49.82 H new ATOM 0 HD2 LYS A 63 21.978 26.605 1.664 1.00 49.82 H new ATOM 0 HD3 LYS A 63 20.617 27.708 1.625 1.00 49.82 H new ATOM 0 HE2 LYS A 63 22.177 29.620 1.270 1.00 50.21 H new ATOM 0 HE3 LYS A 63 23.538 28.517 1.310 1.00 50.21 H new ATOM 0 HZ1 LYS A 63 22.888 29.026 -0.952 1.00 49.70 H new ATOM 0 HZ2 LYS A 63 22.636 27.377 -0.634 1.00 49.70 H new ATOM 0 HZ3 LYS A 63 21.317 28.446 -0.672 1.00 49.70 H new ATOM 1018 N GLU A 64 21.589 29.386 6.182 1.00 49.53 N ATOM 1019 CA GLU A 64 21.344 30.749 6.575 1.00 50.07 C ATOM 1020 C GLU A 64 20.763 30.733 7.957 1.00 50.51 C ATOM 1021 O GLU A 64 19.591 31.120 8.197 1.00 49.49 O ATOM 1022 CB GLU A 64 20.390 31.437 5.595 1.00 49.82 C ATOM 1023 CG GLU A 64 20.982 31.697 4.218 1.00 49.72 C ATOM 1024 CD GLU A 64 19.943 32.221 3.266 1.00 50.62 C ATOM 1025 OE1 GLU A 64 18.810 32.348 3.664 1.00 49.24 O ATOM 1026 OE2 GLU A 64 20.302 32.602 2.177 1.00 49.24 O ATOM 0 H GLU A 64 22.546 29.236 5.862 1.00 49.53 H new ATOM 0 HA GLU A 64 22.277 31.313 6.565 1.00 50.07 H new ATOM 0 HB2 GLU A 64 19.498 30.821 5.483 1.00 49.82 H new ATOM 0 HB3 GLU A 64 20.070 32.386 6.025 1.00 49.82 H new ATOM 0 HG2 GLU A 64 21.798 32.415 4.300 1.00 49.72 H new ATOM 0 HG3 GLU A 64 21.408 30.775 3.823 1.00 49.72 H new ATOM 1033 N SER A 65 21.631 30.464 8.920 1.00 49.53 N ATOM 1034 CA SER A 65 21.297 30.507 10.350 1.00 50.07 C ATOM 1035 C SER A 65 22.164 31.547 11.097 1.00 50.51 C ATOM 1036 O SER A 65 23.374 31.592 10.907 1.00 49.49 O ATOM 1037 CB SER A 65 21.470 29.133 10.967 1.00 50.05 C ATOM 1038 OG SER A 65 20.581 28.196 10.423 1.00 49.34 O ATOM 0 H SER A 65 22.601 30.206 8.737 1.00 49.53 H new ATOM 0 HA SER A 65 20.255 30.811 10.446 1.00 50.07 H new ATOM 0 HB2 SER A 65 22.494 28.793 10.813 1.00 50.05 H new ATOM 0 HB3 SER A 65 21.314 29.197 12.044 1.00 50.05 H new ATOM 0 HG SER A 65 20.893 27.927 9.534 1.00 49.34 H new ATOM 1044 N THR A 66 21.541 32.369 11.899 1.00 49.53 N ATOM 1045 CA THR A 66 22.246 33.348 12.736 1.00 50.07 C ATOM 1046 C THR A 66 22.803 32.749 14.028 1.00 50.51 C ATOM 1047 O THR A 66 22.015 32.138 14.784 1.00 49.49 O ATOM 1048 CB THR A 66 21.332 34.533 13.096 1.00 50.14 C ATOM 1049 OG1 THR A 66 20.803 35.113 11.896 1.00 49.34 O ATOM 1050 CG2 THR A 66 22.109 35.591 13.865 1.00 49.73 C ATOM 0 H THR A 66 20.527 32.391 12.002 1.00 49.53 H new ATOM 0 HA THR A 66 23.087 33.690 12.133 1.00 50.07 H new ATOM 0 HB THR A 66 20.518 34.168 13.722 1.00 50.14 H new ATOM 0 HG1 THR A 66 20.220 35.866 12.126 1.00 49.34 H new ATOM 0 HG21 THR A 66 21.447 36.421 14.111 1.00 49.73 H new ATOM 0 HG22 THR A 66 22.504 35.157 14.784 1.00 49.73 H new ATOM 0 HG23 THR A 66 22.934 35.954 13.252 1.00 49.73 H new ATOM 1058 N LEU A 67 24.120 32.839 14.237 1.00 49.53 N ATOM 1059 CA LEU A 67 24.701 32.381 15.505 1.00 50.07 C ATOM 1060 C LEU A 67 25.239 33.564 16.338 1.00 50.51 C ATOM 1061 O LEU A 67 25.890 34.401 15.691 1.00 49.49 O ATOM 1062 CB LEU A 67 25.819 31.366 15.238 1.00 49.82 C ATOM 1063 CG LEU A 67 25.392 29.894 15.300 1.00 49.91 C ATOM 1064 CD1 LEU A 67 24.679 29.503 14.012 1.00 49.73 C ATOM 1065 CD2 LEU A 67 26.615 29.018 15.526 1.00 49.73 C ATOM 0 H LEU A 67 24.790 33.214 13.565 1.00 49.53 H new ATOM 0 HA LEU A 67 23.912 31.899 16.082 1.00 50.07 H new ATOM 0 HB2 LEU A 67 26.240 31.564 14.253 1.00 49.82 H new ATOM 0 HB3 LEU A 67 26.616 31.528 15.964 1.00 49.82 H new ATOM 0 HG LEU A 67 24.700 29.751 16.130 1.00 49.91 H new ATOM 0 HD11 LEU A 67 24.380 28.456 14.065 1.00 49.73 H new ATOM 0 HD12 LEU A 67 23.795 30.127 13.882 1.00 49.73 H new ATOM 0 HD13 LEU A 67 25.352 29.645 13.166 1.00 49.73 H new ATOM 0 HD21 LEU A 67 26.310 27.972 15.570 1.00 49.73 H new ATOM 0 HD22 LEU A 67 27.319 29.157 14.705 1.00 49.73 H new ATOM 0 HD23 LEU A 67 27.093 29.296 16.465 1.00 49.73 H new ATOM 1077 N HIS A 68 25.117 33.504 17.616 1.00 49.53 N ATOM 1078 CA HIS A 68 25.663 34.599 18.453 1.00 50.07 C ATOM 1079 C HIS A 68 27.064 34.201 18.912 1.00 50.51 C ATOM 1080 O HIS A 68 27.286 33.059 19.367 1.00 49.49 O ATOM 1081 CB HIS A 68 24.761 34.876 19.659 1.00 49.92 C ATOM 1082 CG HIS A 68 23.328 35.116 19.296 1.00 50.22 C ATOM 1083 ND1 HIS A 68 22.881 36.320 18.791 1.00 49.30 N ATOM 1084 CD2 HIS A 68 22.243 34.311 19.364 1.00 49.95 C ATOM 1085 CE1 HIS A 68 21.582 36.242 18.564 1.00 50.25 C ATOM 1086 NE2 HIS A 68 21.171 35.034 18.904 1.00 49.64 N ATOM 0 H HIS A 68 24.663 32.746 18.127 1.00 49.53 H new ATOM 0 HA HIS A 68 25.708 35.516 17.866 1.00 50.07 H new ATOM 0 HB2 HIS A 68 24.816 34.031 20.345 1.00 49.92 H new ATOM 0 HB3 HIS A 68 25.142 35.746 20.194 1.00 49.92 H new ATOM 0 HD2 HIS A 68 22.224 33.290 19.715 1.00 49.95 H new ATOM 0 HE1 HIS A 68 20.961 37.032 18.168 1.00 50.25 H new ATOM 0 HE2 HIS A 68 20.212 34.693 18.836 1.00 49.64 H new ATOM 1094 N LEU A 69 27.997 35.138 18.855 1.00 49.53 N ATOM 1095 CA LEU A 69 29.356 34.910 19.333 1.00 50.07 C ATOM 1096 C LEU A 69 29.494 35.347 20.761 1.00 50.51 C ATOM 1097 O LEU A 69 29.207 36.565 21.040 1.00 49.49 O ATOM 1098 CB LEU A 69 30.364 35.649 18.446 1.00 49.82 C ATOM 1099 CG LEU A 69 31.833 35.500 18.861 1.00 49.91 C ATOM 1100 CD1 LEU A 69 32.258 34.042 18.765 1.00 49.73 C ATOM 1101 CD2 LEU A 69 32.705 36.375 17.972 1.00 49.73 C ATOM 0 H LEU A 69 27.838 36.073 18.479 1.00 49.53 H new ATOM 0 HA LEU A 69 29.565 33.842 19.280 1.00 50.07 H new ATOM 0 HB2 LEU A 69 30.254 35.290 17.423 1.00 49.82 H new ATOM 0 HB3 LEU A 69 30.110 36.709 18.441 1.00 49.82 H new ATOM 0 HG LEU A 69 31.952 35.822 19.895 1.00 49.91 H new ATOM 0 HD11 LEU A 69 33.303 33.947 19.062 1.00 49.73 H new ATOM 0 HD12 LEU A 69 31.637 33.438 19.426 1.00 49.73 H new ATOM 0 HD13 LEU A 69 32.140 33.695 17.738 1.00 49.73 H new ATOM 0 HD21 LEU A 69 33.749 36.268 18.268 1.00 49.73 H new ATOM 0 HD22 LEU A 69 32.589 36.067 16.933 1.00 49.73 H new ATOM 0 HD23 LEU A 69 32.403 37.417 18.078 1.00 49.73 H new ATOM 1113 N VAL A 70 29.819 34.482 21.665 1.00 49.53 N ATOM 1114 CA VAL A 70 30.073 34.892 23.076 1.00 50.07 C ATOM 1115 C VAL A 70 31.564 34.665 23.363 1.00 50.51 C ATOM 1116 O VAL A 70 32.053 33.526 23.189 1.00 49.49 O ATOM 1117 CB VAL A 70 29.223 34.084 24.075 1.00 49.91 C ATOM 1118 CG1 VAL A 70 29.668 34.366 25.502 1.00 49.73 C ATOM 1119 CG2 VAL A 70 27.747 34.409 23.905 1.00 49.73 C ATOM 0 H VAL A 70 29.924 33.483 21.489 1.00 49.53 H new ATOM 0 HA VAL A 70 29.798 35.939 23.199 1.00 50.07 H new ATOM 0 HB VAL A 70 29.368 33.023 23.871 1.00 49.91 H new ATOM 0 HG11 VAL A 70 29.057 33.787 26.195 1.00 49.73 H new ATOM 0 HG12 VAL A 70 30.715 34.085 25.619 1.00 49.73 H new ATOM 0 HG13 VAL A 70 29.552 35.428 25.716 1.00 49.73 H new ATOM 0 HG21 VAL A 70 27.162 33.829 24.619 1.00 49.73 H new ATOM 0 HG22 VAL A 70 27.586 35.472 24.083 1.00 49.73 H new ATOM 0 HG23 VAL A 70 27.434 34.159 22.891 1.00 49.73 H new ATOM 1129 N LEU A 71 32.272 35.702 23.749 1.00 49.53 N ATOM 1130 CA LEU A 71 33.707 35.565 24.080 1.00 50.07 C ATOM 1131 C LEU A 71 33.948 35.388 25.556 1.00 50.51 C ATOM 1132 O LEU A 71 33.438 36.161 26.390 1.00 49.49 O ATOM 1133 CB LEU A 71 34.482 36.784 23.564 1.00 49.82 C ATOM 1134 CG LEU A 71 34.456 36.978 22.042 1.00 49.91 C ATOM 1135 CD1 LEU A 71 35.360 38.139 21.648 1.00 49.73 C ATOM 1136 CD2 LEU A 71 34.897 35.694 21.357 1.00 49.73 C ATOM 0 H LEU A 71 31.900 36.647 23.847 1.00 49.53 H new ATOM 0 HA LEU A 71 34.065 34.661 23.587 1.00 50.07 H new ATOM 0 HB2 LEU A 71 34.076 37.679 24.035 1.00 49.82 H new ATOM 0 HB3 LEU A 71 35.520 36.697 23.886 1.00 49.82 H new ATOM 0 HG LEU A 71 33.441 37.213 21.723 1.00 49.91 H new ATOM 0 HD11 LEU A 71 35.335 38.269 20.566 1.00 49.73 H new ATOM 0 HD12 LEU A 71 35.011 39.052 22.131 1.00 49.73 H new ATOM 0 HD13 LEU A 71 36.382 37.928 21.965 1.00 49.73 H new ATOM 0 HD21 LEU A 71 34.878 35.833 20.276 1.00 49.73 H new ATOM 0 HD22 LEU A 71 35.909 35.442 21.673 1.00 49.73 H new ATOM 0 HD23 LEU A 71 34.220 34.885 21.630 1.00 49.73 H new ATOM 1148 N ARG A 72 34.672 34.396 25.919 1.00 49.53 N ATOM 1149 CA ARG A 72 35.043 34.127 27.326 1.00 50.07 C ATOM 1150 C ARG A 72 36.499 34.234 27.773 1.00 50.51 C ATOM 1151 O ARG A 72 37.024 33.111 28.055 1.00 49.49 O ATOM 1152 CB ARG A 72 34.471 32.793 27.781 1.00 49.82 C ATOM 1153 CG ARG A 72 34.690 32.472 29.251 1.00 49.82 C ATOM 1154 CD ARG A 72 34.074 31.196 29.698 1.00 50.20 C ATOM 1155 NE ARG A 72 34.354 30.843 31.080 1.00 49.30 N ATOM 1156 CZ ARG A 72 33.702 31.347 32.146 1.00 50.64 C ATOM 1157 NH1 ARG A 72 32.761 32.253 31.998 1.00 49.20 N ATOM 1158 NH2 ARG A 72 34.052 30.925 33.348 1.00 49.20 N ATOM 0 H ARG A 72 35.049 33.714 25.261 1.00 49.53 H new ATOM 0 HA ARG A 72 34.593 34.988 27.820 1.00 50.07 H new ATOM 0 HB2 ARG A 72 33.400 32.785 27.578 1.00 49.82 H new ATOM 0 HB3 ARG A 72 34.916 31.999 27.180 1.00 49.82 H new ATOM 0 HG2 ARG A 72 35.762 32.432 29.446 1.00 49.82 H new ATOM 0 HG3 ARG A 72 34.287 33.287 29.852 1.00 49.82 H new ATOM 0 HD2 ARG A 72 32.994 31.262 29.565 1.00 50.20 H new ATOM 0 HD3 ARG A 72 34.426 30.391 29.052 1.00 50.20 H new ATOM 0 HE ARG A 72 35.096 30.166 31.255 1.00 49.30 H new ATOM 0 HH11 ARG A 72 32.515 32.585 31.065 1.00 49.20 H new ATOM 0 HH12 ARG A 72 32.277 32.624 32.816 1.00 49.20 H new ATOM 0 HH21 ARG A 72 34.797 30.236 33.450 1.00 49.20 H new ATOM 0 HH22 ARG A 72 33.577 31.288 34.174 1.00 49.20 H new ATOM 1172 N LEU A 73 37.088 35.383 27.837 1.00 49.53 N ATOM 1173 CA LEU A 73 38.509 35.465 28.261 1.00 50.07 C ATOM 1174 C LEU A 73 38.815 34.812 29.601 1.00 50.51 C ATOM 1175 O LEU A 73 38.014 34.880 30.547 1.00 49.49 O ATOM 1176 CB LEU A 73 38.953 36.933 28.287 1.00 49.82 C ATOM 1177 CG LEU A 73 39.071 37.605 26.914 1.00 49.91 C ATOM 1178 CD1 LEU A 73 39.637 39.010 27.067 1.00 49.73 C ATOM 1179 CD2 LEU A 73 39.958 36.762 26.009 1.00 49.73 C ATOM 0 H LEU A 73 36.649 36.276 27.614 1.00 49.53 H new ATOM 0 HA LEU A 73 39.072 34.894 27.522 1.00 50.07 H new ATOM 0 HB2 LEU A 73 38.244 37.499 28.891 1.00 49.82 H new ATOM 0 HB3 LEU A 73 39.919 36.995 28.788 1.00 49.82 H new ATOM 0 HG LEU A 73 38.082 37.683 26.462 1.00 49.91 H new ATOM 0 HD11 LEU A 73 39.717 39.479 26.086 1.00 49.73 H new ATOM 0 HD12 LEU A 73 38.975 39.602 27.699 1.00 49.73 H new ATOM 0 HD13 LEU A 73 40.625 38.957 27.525 1.00 49.73 H new ATOM 0 HD21 LEU A 73 40.041 37.240 25.033 1.00 49.73 H new ATOM 0 HD22 LEU A 73 40.949 36.670 26.454 1.00 49.73 H new ATOM 0 HD23 LEU A 73 39.520 35.771 25.891 1.00 49.73 H new ATOM 1191 N ARG A 74 39.982 34.190 29.637 1.00 49.53 N ATOM 1192 CA ARG A 74 40.461 33.488 30.839 1.00 50.07 C ATOM 1193 C ARG A 74 41.292 34.402 31.736 1.00 50.51 C ATOM 1194 O ARG A 74 42.533 34.425 31.644 1.00 49.49 O ATOM 1195 CB ARG A 74 41.217 32.213 30.493 1.00 49.82 C ATOM 1196 CG ARG A 74 41.806 31.475 31.685 1.00 49.82 C ATOM 1197 CD ARG A 74 42.640 30.300 31.325 1.00 50.20 C ATOM 1198 NE ARG A 74 43.204 29.591 32.463 1.00 49.30 N ATOM 1199 CZ ARG A 74 42.536 28.693 33.213 1.00 50.64 C ATOM 1200 NH1 ARG A 74 41.273 28.419 32.974 1.00 49.20 N ATOM 1201 NH2 ARG A 74 43.178 28.112 34.211 1.00 49.20 N ATOM 0 H ARG A 74 40.626 34.151 28.847 1.00 49.53 H new ATOM 0 HA ARG A 74 39.576 33.194 31.403 1.00 50.07 H new ATOM 0 HB2 ARG A 74 40.542 31.540 29.965 1.00 49.82 H new ATOM 0 HB3 ARG A 74 42.024 32.462 29.803 1.00 49.82 H new ATOM 0 HG2 ARG A 74 42.411 32.171 32.266 1.00 49.82 H new ATOM 0 HG3 ARG A 74 40.993 31.144 32.331 1.00 49.82 H new ATOM 0 HD2 ARG A 74 42.035 29.605 30.743 1.00 50.20 H new ATOM 0 HD3 ARG A 74 43.453 30.631 30.680 1.00 50.20 H new ATOM 0 HE ARG A 74 44.174 29.788 32.711 1.00 49.30 H new ATOM 0 HH11 ARG A 74 40.785 28.889 32.212 1.00 49.20 H new ATOM 0 HH12 ARG A 74 40.781 27.737 33.551 1.00 49.20 H new ATOM 0 HH21 ARG A 74 44.153 28.348 34.396 1.00 49.20 H new ATOM 0 HH22 ARG A 74 42.699 27.428 34.796 1.00 49.20 H new ATOM 1215 N GLY A 75 40.586 35.126 32.595 1.00 49.53 N ATOM 1216 CA GLY A 75 41.191 36.048 33.546 1.00 49.98 C ATOM 1217 C GLY A 75 40.258 37.227 33.741 1.00 50.51 C ATOM 1218 O GLY A 75 39.079 37.212 33.347 1.00 49.49 O ATOM 0 H GLY A 75 39.568 35.089 32.651 1.00 49.53 H new ATOM 0 HA2 GLY A 75 41.370 35.546 34.497 1.00 49.98 H new ATOM 0 HA3 GLY A 75 42.159 36.389 33.178 1.00 49.98 H new ATOM 1222 N GLY A 76 40.844 38.288 34.265 1.00 49.53 N ATOM 1223 CA GLY A 76 40.171 39.566 34.542 1.00 49.98 C ATOM 1224 C GLY A 76 39.836 39.708 36.035 1.00 50.51 C ATOM 1225 O GLY A 76 38.733 40.224 36.308 1.00 49.49 O ATOM 0 H GLY A 76 41.831 38.295 34.521 1.00 49.53 H new ATOM 0 HA2 GLY A 76 40.811 40.392 34.231 1.00 49.98 H new ATOM 0 HA3 GLY A 76 39.256 39.633 33.954 1.00 49.98 H new TER 1229 GLY A 76