USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 Single : A 1 MET CE :methyl 166:sc= -0.27 (180deg=-0.719) USER MOD Single : A 1 MET N :NH3+ -108:sc= 1.56 (180deg=1.01) USER MOD Single : A 2 GLN : amide:sc= -1.45 X(o=-1.4,f=-1.1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 170:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0207 USER MOD Single : A 11 LYS NZ :NH3+ -158:sc= 1.14 (180deg=0.21!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 39:sc= 0.00823 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00948 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= 0.496 (180deg=0.351) USER MOD Single : A 29 LYS NZ :NH3+ 150:sc= 1.3 (180deg=1.2) USER MOD Single : A 31 GLN : amide:sc= -0.693 K(o=-0.69,f=-0.13) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 41 GLN : amide:sc=0.000122 K(o=0.00012,f=-1.7) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= -0.0172 (180deg=-0.175) USER MOD Single : A 49 GLN : amide:sc= -1.69 K(o=-1.7,f=-5.6!) USER MOD Single : A 55 THR OG1 : rot -35:sc= 1.19 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -1:sc= 1.79 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.731 K(o=-0.73,f=-0.00081) USER MOD Single : A 63 LYS NZ :NH3+ -124:sc= 1.25 (180deg=0.233) USER MOD Single : A 65 SER OG : rot 80:sc= 0.0967 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=-0.086) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.441 30.610 16.618 1.00 0.00 N ATOM 2 CA MET A 1 13.540 31.130 17.991 1.00 0.00 C ATOM 3 C MET A 1 14.997 31.495 18.286 1.00 0.00 C ATOM 4 O MET A 1 15.872 30.866 17.702 1.00 0.00 O ATOM 5 CB MET A 1 12.925 30.176 19.019 1.00 0.00 C ATOM 6 CG MET A 1 13.588 28.810 19.215 1.00 0.00 C ATOM 7 SD MET A 1 13.195 27.665 17.871 1.00 0.00 S ATOM 8 CE MET A 1 12.659 26.276 18.890 1.00 0.00 C ATOM 0 H1 MET A 1 12.967 31.312 16.014 1.00 0.00 H new ATOM 0 H2 MET A 1 14.395 30.423 16.248 1.00 0.00 H new ATOM 0 H3 MET A 1 12.891 29.727 16.620 1.00 0.00 H new ATOM 0 HA MET A 1 12.945 32.039 18.076 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.915 30.684 19.983 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.886 30.006 18.738 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.669 28.938 19.278 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.262 28.382 20.163 1.00 0.00 H new ATOM 0 HE1 MET A 1 12.139 25.548 18.268 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.528 25.805 19.350 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.986 26.634 19.669 1.00 0.00 H new ATOM 20 N GLN A 2 15.223 32.427 19.213 1.00 0.00 N ATOM 21 CA GLN A 2 16.509 32.937 19.648 1.00 0.00 C ATOM 22 C GLN A 2 17.133 32.135 20.801 1.00 0.00 C ATOM 23 O GLN A 2 16.403 31.900 21.763 1.00 0.00 O ATOM 24 CB GLN A 2 16.340 34.350 20.199 1.00 0.00 C ATOM 25 CG GLN A 2 16.414 35.442 19.126 1.00 0.00 C ATOM 26 CD GLN A 2 15.379 35.189 18.034 1.00 0.00 C ATOM 27 OE1 GLN A 2 14.208 34.951 18.337 1.00 0.00 O ATOM 28 NE2 GLN A 2 15.721 35.478 16.781 1.00 0.00 N ATOM 0 H GLN A 2 14.452 32.872 19.711 1.00 0.00 H new ATOM 0 HA GLN A 2 17.150 32.880 18.768 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.379 34.419 20.710 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.112 34.534 20.946 1.00 0.00 H new ATOM 0 HG2 GLN A 2 16.242 36.418 19.580 1.00 0.00 H new ATOM 0 HG3 GLN A 2 17.413 35.465 18.690 1.00 0.00 H new ATOM 0 HE21 GLN A 2 16.695 35.672 16.550 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.009 35.506 16.051 1.00 0.00 H new ATOM 37 N ILE A 3 18.352 31.610 20.769 1.00 0.00 N ATOM 38 CA ILE A 3 19.029 30.878 21.822 1.00 0.00 C ATOM 39 C ILE A 3 20.181 31.699 22.410 1.00 0.00 C ATOM 40 O ILE A 3 20.507 32.784 21.917 1.00 0.00 O ATOM 41 CB ILE A 3 19.479 29.513 21.313 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.485 29.530 20.164 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.258 28.598 21.137 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.330 28.254 20.116 1.00 0.00 C ATOM 0 H ILE A 3 18.936 31.695 19.937 1.00 0.00 H new ATOM 0 HA ILE A 3 18.328 30.702 22.638 1.00 0.00 H new ATOM 0 HB ILE A 3 20.104 29.063 22.085 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.953 29.647 19.220 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.141 30.394 20.270 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.583 27.623 20.773 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.753 28.477 22.095 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.571 29.043 20.418 1.00 0.00 H new ATOM 0 HD11 ILE A 3 22.030 28.313 19.283 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.884 28.149 21.049 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.678 27.391 19.982 1.00 0.00 H new ATOM 56 N PHE A 4 20.728 31.364 23.575 1.00 0.00 N ATOM 57 CA PHE A 4 21.933 31.963 24.099 1.00 0.00 C ATOM 58 C PHE A 4 23.028 30.897 24.252 1.00 0.00 C ATOM 59 O PHE A 4 22.794 29.711 24.465 1.00 0.00 O ATOM 60 CB PHE A 4 21.685 32.528 25.506 1.00 0.00 C ATOM 61 CG PHE A 4 20.739 33.678 25.705 1.00 0.00 C ATOM 62 CD1 PHE A 4 21.176 34.909 25.196 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.460 33.485 26.254 1.00 0.00 C ATOM 64 CE1 PHE A 4 20.342 36.007 25.428 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.598 34.576 26.421 1.00 0.00 C ATOM 66 CZ PHE A 4 19.046 35.810 25.938 1.00 0.00 C ATOM 0 H PHE A 4 20.331 30.652 24.188 1.00 0.00 H new ATOM 0 HA PHE A 4 22.233 32.749 23.407 1.00 0.00 H new ATOM 0 HB2 PHE A 4 21.328 31.705 26.126 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.652 32.832 25.907 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.106 35.004 24.655 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.142 32.495 26.547 1.00 0.00 H new ATOM 0 HE1 PHE A 4 20.693 37.006 25.216 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.635 34.470 26.899 1.00 0.00 H new ATOM 0 HZ PHE A 4 18.366 36.649 25.958 1.00 0.00 H new ATOM 76 N VAL A 5 24.275 31.321 24.021 1.00 0.00 N ATOM 77 CA VAL A 5 25.437 30.491 24.239 1.00 0.00 C ATOM 78 C VAL A 5 26.281 31.286 25.238 1.00 0.00 C ATOM 79 O VAL A 5 26.626 32.441 25.018 1.00 0.00 O ATOM 80 CB VAL A 5 26.096 30.313 22.868 1.00 0.00 C ATOM 81 CG1 VAL A 5 27.413 29.561 23.001 1.00 0.00 C ATOM 82 CG2 VAL A 5 25.167 29.555 21.918 1.00 0.00 C ATOM 0 H VAL A 5 24.495 32.256 23.676 1.00 0.00 H new ATOM 0 HA VAL A 5 25.256 29.494 24.640 1.00 0.00 H new ATOM 0 HB VAL A 5 26.292 31.304 22.458 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.866 29.444 22.017 1.00 0.00 H new ATOM 0 HG12 VAL A 5 28.088 30.122 23.647 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.229 28.578 23.434 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.653 29.439 20.949 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.946 28.572 22.333 1.00 0.00 H new ATOM 0 HG23 VAL A 5 24.239 30.114 21.794 1.00 0.00 H new ATOM 92 N LYS A 6 26.614 30.549 26.297 1.00 0.00 N ATOM 93 CA LYS A 6 27.591 30.945 27.292 1.00 0.00 C ATOM 94 C LYS A 6 28.963 30.793 26.635 1.00 0.00 C ATOM 95 O LYS A 6 29.449 29.690 26.387 1.00 0.00 O ATOM 96 CB LYS A 6 27.489 30.089 28.556 1.00 0.00 C ATOM 97 CG LYS A 6 27.620 30.943 29.813 1.00 0.00 C ATOM 98 CD LYS A 6 27.898 30.256 31.147 1.00 0.00 C ATOM 99 CE LYS A 6 28.351 31.250 32.216 1.00 0.00 C ATOM 100 NZ LYS A 6 28.383 30.720 33.590 1.00 0.00 N ATOM 0 H LYS A 6 26.197 29.637 26.485 1.00 0.00 H new ATOM 0 HA LYS A 6 27.418 31.973 27.612 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.533 29.565 28.567 1.00 0.00 H new ATOM 0 HB3 LYS A 6 28.270 29.328 28.547 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.420 31.663 29.640 1.00 0.00 H new ATOM 0 HG3 LYS A 6 26.697 31.512 29.922 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.998 29.743 31.486 1.00 0.00 H new ATOM 0 HD3 LYS A 6 28.666 29.495 31.010 1.00 0.00 H new ATOM 0 HE2 LYS A 6 29.348 31.608 31.958 1.00 0.00 H new ATOM 0 HE3 LYS A 6 27.686 32.114 32.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.702 31.465 34.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.430 30.405 33.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 29.040 29.915 33.636 1.00 0.00 H new ATOM 114 N THR A 7 29.585 31.944 26.416 1.00 0.00 N ATOM 115 CA THR A 7 30.876 32.049 25.785 1.00 0.00 C ATOM 116 C THR A 7 31.850 32.451 26.897 1.00 0.00 C ATOM 117 O THR A 7 31.724 33.521 27.493 1.00 0.00 O ATOM 118 CB THR A 7 30.922 33.113 24.689 1.00 0.00 C ATOM 119 OG1 THR A 7 29.927 32.857 23.727 1.00 0.00 O ATOM 120 CG2 THR A 7 32.247 33.262 23.937 1.00 0.00 C ATOM 0 H THR A 7 29.189 32.846 26.682 1.00 0.00 H new ATOM 0 HA THR A 7 31.122 31.101 25.307 1.00 0.00 H new ATOM 0 HB THR A 7 30.769 34.044 25.235 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.854 33.623 23.120 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.153 34.047 23.186 1.00 0.00 H new ATOM 0 HG22 THR A 7 33.037 33.525 24.640 1.00 0.00 H new ATOM 0 HG23 THR A 7 32.496 32.320 23.448 1.00 0.00 H new ATOM 128 N LEU A 8 32.937 31.715 27.069 1.00 0.00 N ATOM 129 CA LEU A 8 34.019 31.913 28.022 1.00 0.00 C ATOM 130 C LEU A 8 34.801 33.225 28.104 1.00 0.00 C ATOM 131 O LEU A 8 35.630 33.384 28.995 1.00 0.00 O ATOM 132 CB LEU A 8 34.980 30.734 27.888 1.00 0.00 C ATOM 133 CG LEU A 8 35.574 30.381 26.525 1.00 0.00 C ATOM 134 CD1 LEU A 8 34.594 30.009 25.404 1.00 0.00 C ATOM 135 CD2 LEU A 8 36.705 31.327 26.138 1.00 0.00 C ATOM 0 H LEU A 8 33.099 30.889 26.493 1.00 0.00 H new ATOM 0 HA LEU A 8 33.476 31.982 28.964 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.813 30.917 28.567 1.00 0.00 H new ATOM 0 HB3 LEU A 8 34.459 29.849 28.253 1.00 0.00 H new ATOM 0 HG LEU A 8 36.032 29.403 26.673 1.00 0.00 H new ATOM 0 HD11 LEU A 8 35.150 29.782 24.495 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.015 29.135 25.702 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.920 30.845 25.218 1.00 0.00 H new ATOM 0 HD21 LEU A 8 37.100 31.042 25.163 1.00 0.00 H new ATOM 0 HD22 LEU A 8 36.326 32.348 26.092 1.00 0.00 H new ATOM 0 HD23 LEU A 8 37.499 31.269 26.882 1.00 0.00 H new ATOM 147 N THR A 9 34.528 34.142 27.165 1.00 0.00 N ATOM 148 CA THR A 9 35.128 35.457 27.173 1.00 0.00 C ATOM 149 C THR A 9 34.345 36.372 28.115 1.00 0.00 C ATOM 150 O THR A 9 34.705 37.541 28.276 1.00 0.00 O ATOM 151 CB THR A 9 35.059 35.998 25.744 1.00 0.00 C ATOM 152 OG1 THR A 9 33.786 35.891 25.163 1.00 0.00 O ATOM 153 CG2 THR A 9 35.941 35.227 24.759 1.00 0.00 C ATOM 0 H THR A 9 33.887 33.981 26.388 1.00 0.00 H new ATOM 0 HA THR A 9 36.161 35.412 27.517 1.00 0.00 H new ATOM 0 HB THR A 9 35.375 37.032 25.881 1.00 0.00 H new ATOM 0 HG1 THR A 9 33.810 36.255 24.253 1.00 0.00 H new ATOM 0 HG21 THR A 9 35.844 35.664 23.765 1.00 0.00 H new ATOM 0 HG22 THR A 9 36.981 35.284 25.080 1.00 0.00 H new ATOM 0 HG23 THR A 9 35.627 34.184 24.729 1.00 0.00 H new ATOM 161 N GLY A 10 33.336 35.846 28.802 1.00 0.00 N ATOM 162 CA GLY A 10 32.489 36.598 29.711 1.00 0.00 C ATOM 163 C GLY A 10 31.217 37.169 29.079 1.00 0.00 C ATOM 164 O GLY A 10 30.554 38.069 29.580 1.00 0.00 O ATOM 0 H GLY A 10 33.081 34.860 28.738 1.00 0.00 H new ATOM 0 HA2 GLY A 10 32.206 35.951 30.541 1.00 0.00 H new ATOM 0 HA3 GLY A 10 33.070 37.419 30.131 1.00 0.00 H new ATOM 168 N LYS A 11 30.848 36.534 27.969 1.00 0.00 N ATOM 169 CA LYS A 11 29.927 37.049 26.983 1.00 0.00 C ATOM 170 C LYS A 11 28.777 36.050 26.800 1.00 0.00 C ATOM 171 O LYS A 11 29.073 34.865 26.816 1.00 0.00 O ATOM 172 CB LYS A 11 30.680 37.321 25.682 1.00 0.00 C ATOM 173 CG LYS A 11 29.868 38.149 24.679 1.00 0.00 C ATOM 174 CD LYS A 11 30.664 38.371 23.387 1.00 0.00 C ATOM 175 CE LYS A 11 30.146 39.427 22.410 1.00 0.00 C ATOM 176 NZ LYS A 11 30.830 39.513 21.103 1.00 0.00 N ATOM 0 H LYS A 11 31.203 35.608 27.731 1.00 0.00 H new ATOM 0 HA LYS A 11 29.493 37.994 27.311 1.00 0.00 H new ATOM 0 HB2 LYS A 11 31.608 37.845 25.909 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.954 36.371 25.222 1.00 0.00 H new ATOM 0 HG2 LYS A 11 28.932 37.638 24.452 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.607 39.111 25.121 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.684 38.639 23.662 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.717 37.420 22.857 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.089 39.234 22.229 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.213 40.401 22.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 30.671 40.454 20.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.850 39.361 21.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 30.451 38.785 20.464 1.00 0.00 H new ATOM 190 N THR A 12 27.521 36.474 26.742 1.00 0.00 N ATOM 191 CA THR A 12 26.366 35.621 26.524 1.00 0.00 C ATOM 192 C THR A 12 25.679 35.942 25.189 1.00 0.00 C ATOM 193 O THR A 12 24.821 36.804 25.051 1.00 0.00 O ATOM 194 CB THR A 12 25.476 35.905 27.731 1.00 0.00 C ATOM 195 OG1 THR A 12 26.068 35.478 28.932 1.00 0.00 O ATOM 196 CG2 THR A 12 24.200 35.062 27.790 1.00 0.00 C ATOM 0 H THR A 12 27.273 37.457 26.850 1.00 0.00 H new ATOM 0 HA THR A 12 26.619 34.564 26.447 1.00 0.00 H new ATOM 0 HB THR A 12 25.300 36.976 27.626 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.469 35.679 29.681 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.628 35.329 28.679 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.598 35.250 26.901 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.464 34.005 27.832 1.00 0.00 H new ATOM 204 N ILE A 13 26.173 35.344 24.111 1.00 0.00 N ATOM 205 CA ILE A 13 25.853 35.708 22.742 1.00 0.00 C ATOM 206 C ILE A 13 24.465 35.134 22.444 1.00 0.00 C ATOM 207 O ILE A 13 24.045 34.195 23.104 1.00 0.00 O ATOM 208 CB ILE A 13 26.864 35.204 21.720 1.00 0.00 C ATOM 209 CG1 ILE A 13 27.238 33.727 21.800 1.00 0.00 C ATOM 210 CG2 ILE A 13 28.202 35.938 21.721 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.314 33.229 20.834 1.00 0.00 C ATOM 0 H ILE A 13 26.830 34.566 24.172 1.00 0.00 H new ATOM 0 HA ILE A 13 25.878 36.794 22.654 1.00 0.00 H new ATOM 0 HB ILE A 13 26.291 35.400 20.814 1.00 0.00 H new ATOM 0 HG12 ILE A 13 27.572 33.517 22.816 1.00 0.00 H new ATOM 0 HG13 ILE A 13 26.335 33.140 21.633 1.00 0.00 H new ATOM 0 HG21 ILE A 13 28.854 35.508 20.960 1.00 0.00 H new ATOM 0 HG22 ILE A 13 28.038 36.993 21.504 1.00 0.00 H new ATOM 0 HG23 ILE A 13 28.671 35.838 22.700 1.00 0.00 H new ATOM 0 HD11 ILE A 13 28.484 32.165 20.996 1.00 0.00 H new ATOM 0 HD12 ILE A 13 27.985 33.392 19.808 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.241 33.775 21.009 1.00 0.00 H new ATOM 223 N THR A 14 23.848 35.675 21.399 1.00 0.00 N ATOM 224 CA THR A 14 22.544 35.286 20.898 1.00 0.00 C ATOM 225 C THR A 14 22.628 35.010 19.396 1.00 0.00 C ATOM 226 O THR A 14 23.270 35.715 18.614 1.00 0.00 O ATOM 227 CB THR A 14 21.481 36.291 21.358 1.00 0.00 C ATOM 228 OG1 THR A 14 20.125 35.952 21.155 1.00 0.00 O ATOM 229 CG2 THR A 14 21.721 37.638 20.676 1.00 0.00 C ATOM 0 H THR A 14 24.266 36.431 20.857 1.00 0.00 H new ATOM 0 HA THR A 14 22.212 34.340 21.326 1.00 0.00 H new ATOM 0 HB THR A 14 21.615 36.308 22.440 1.00 0.00 H new ATOM 0 HG1 THR A 14 19.996 34.997 21.333 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.965 38.352 21.004 1.00 0.00 H new ATOM 0 HG22 THR A 14 22.710 38.010 20.943 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.659 37.515 19.595 1.00 0.00 H new ATOM 237 N LEU A 15 21.988 33.924 18.987 1.00 0.00 N ATOM 238 CA LEU A 15 21.862 33.365 17.653 1.00 0.00 C ATOM 239 C LEU A 15 20.478 32.792 17.346 1.00 0.00 C ATOM 240 O LEU A 15 19.762 32.406 18.261 1.00 0.00 O ATOM 241 CB LEU A 15 23.072 32.514 17.276 1.00 0.00 C ATOM 242 CG LEU A 15 23.563 31.500 18.322 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.062 30.215 17.659 1.00 0.00 C ATOM 244 CD2 LEU A 15 24.648 31.926 19.306 1.00 0.00 C ATOM 0 H LEU A 15 21.487 33.348 19.664 1.00 0.00 H new ATOM 0 HA LEU A 15 21.901 34.191 16.942 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.832 31.970 16.362 1.00 0.00 H new ATOM 0 HB3 LEU A 15 23.898 33.185 17.040 1.00 0.00 H new ATOM 0 HG LEU A 15 22.656 31.375 18.914 1.00 0.00 H new ATOM 0 HD11 LEU A 15 24.402 29.519 18.425 1.00 0.00 H new ATOM 0 HD12 LEU A 15 23.251 29.761 17.090 1.00 0.00 H new ATOM 0 HD13 LEU A 15 24.889 30.449 16.989 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.879 31.096 19.974 1.00 0.00 H new ATOM 0 HD22 LEU A 15 25.545 32.211 18.757 1.00 0.00 H new ATOM 0 HD23 LEU A 15 24.295 32.775 19.891 1.00 0.00 H new ATOM 256 N GLU A 16 20.010 32.871 16.101 1.00 0.00 N ATOM 257 CA GLU A 16 18.684 32.570 15.593 1.00 0.00 C ATOM 258 C GLU A 16 18.737 31.111 15.146 1.00 0.00 C ATOM 259 O GLU A 16 19.373 30.696 14.173 1.00 0.00 O ATOM 260 CB GLU A 16 18.365 33.399 14.348 1.00 0.00 C ATOM 261 CG GLU A 16 18.576 34.912 14.479 1.00 0.00 C ATOM 262 CD GLU A 16 19.908 35.573 14.801 1.00 0.00 C ATOM 263 OE1 GLU A 16 20.963 35.150 14.296 1.00 0.00 O ATOM 264 OE2 GLU A 16 19.909 36.582 15.541 1.00 0.00 O ATOM 0 H GLU A 16 20.622 33.182 15.347 1.00 0.00 H new ATOM 0 HA GLU A 16 17.936 32.778 16.358 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.981 33.036 13.526 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.326 33.219 14.072 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.245 35.346 13.535 1.00 0.00 H new ATOM 0 HG3 GLU A 16 17.879 35.248 15.247 1.00 0.00 H new ATOM 271 N VAL A 17 17.908 30.244 15.724 1.00 0.00 N ATOM 272 CA VAL A 17 17.806 28.842 15.378 1.00 0.00 C ATOM 273 C VAL A 17 16.355 28.489 15.087 1.00 0.00 C ATOM 274 O VAL A 17 15.351 29.075 15.492 1.00 0.00 O ATOM 275 CB VAL A 17 18.528 27.876 16.310 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.047 28.011 16.180 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.992 28.005 17.740 1.00 0.00 C ATOM 0 H VAL A 17 17.270 30.516 16.472 1.00 0.00 H new ATOM 0 HA VAL A 17 18.376 28.699 14.460 1.00 0.00 H new ATOM 0 HB VAL A 17 18.313 26.851 16.009 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.534 27.309 16.857 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.345 27.792 15.155 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.345 29.028 16.436 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.520 27.308 18.391 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.148 29.023 18.097 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.926 27.776 17.751 1.00 0.00 H new ATOM 287 N GLU A 18 16.128 27.351 14.421 1.00 0.00 N ATOM 288 CA GLU A 18 14.864 26.651 14.291 1.00 0.00 C ATOM 289 C GLU A 18 15.129 25.189 14.612 1.00 0.00 C ATOM 290 O GLU A 18 16.294 24.803 14.621 1.00 0.00 O ATOM 291 CB GLU A 18 14.328 26.924 12.886 1.00 0.00 C ATOM 292 CG GLU A 18 12.981 27.643 12.856 1.00 0.00 C ATOM 293 CD GLU A 18 12.855 29.003 13.532 1.00 0.00 C ATOM 294 OE1 GLU A 18 13.512 29.943 13.031 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.117 29.149 14.529 1.00 0.00 O ATOM 0 H GLU A 18 16.880 26.869 13.928 1.00 0.00 H new ATOM 0 HA GLU A 18 14.089 26.986 14.981 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.058 27.522 12.341 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.233 25.977 12.356 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.697 27.767 11.811 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.244 26.980 13.310 1.00 0.00 H new ATOM 302 N PRO A 19 14.130 24.374 14.965 1.00 0.00 N ATOM 303 CA PRO A 19 14.398 23.071 15.533 1.00 0.00 C ATOM 304 C PRO A 19 15.320 22.118 14.774 1.00 0.00 C ATOM 305 O PRO A 19 16.171 21.469 15.375 1.00 0.00 O ATOM 306 CB PRO A 19 13.041 22.418 15.781 1.00 0.00 C ATOM 307 CG PRO A 19 12.019 23.545 15.651 1.00 0.00 C ATOM 308 CD PRO A 19 12.722 24.702 14.937 1.00 0.00 C ATOM 0 HA PRO A 19 14.982 23.258 16.434 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.848 21.627 15.057 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.999 21.962 16.770 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.149 23.214 15.085 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.661 23.857 16.632 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.364 24.807 13.913 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.529 25.649 15.441 1.00 0.00 H new ATOM 316 N SER A 20 15.121 21.953 13.464 1.00 0.00 N ATOM 317 CA SER A 20 15.701 20.968 12.580 1.00 0.00 C ATOM 318 C SER A 20 17.129 21.325 12.159 1.00 0.00 C ATOM 319 O SER A 20 17.733 20.615 11.361 1.00 0.00 O ATOM 320 CB SER A 20 14.930 20.827 11.274 1.00 0.00 C ATOM 321 OG SER A 20 13.623 20.364 11.543 1.00 0.00 O ATOM 0 H SER A 20 14.487 22.571 12.958 1.00 0.00 H new ATOM 0 HA SER A 20 15.673 20.047 13.163 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.888 21.787 10.759 1.00 0.00 H new ATOM 0 HB3 SER A 20 15.444 20.132 10.610 1.00 0.00 H new ATOM 0 HG SER A 20 13.128 20.275 10.702 1.00 0.00 H new ATOM 327 N ASP A 21 17.720 22.392 12.708 1.00 0.00 N ATOM 328 CA ASP A 21 19.093 22.740 12.405 1.00 0.00 C ATOM 329 C ASP A 21 20.037 21.822 13.186 1.00 0.00 C ATOM 330 O ASP A 21 19.788 21.489 14.348 1.00 0.00 O ATOM 331 CB ASP A 21 19.336 24.135 12.992 1.00 0.00 C ATOM 332 CG ASP A 21 18.666 25.256 12.216 1.00 0.00 C ATOM 333 OD1 ASP A 21 18.326 25.203 11.021 1.00 0.00 O ATOM 334 OD2 ASP A 21 18.517 26.351 12.797 1.00 0.00 O ATOM 0 H ASP A 21 17.260 23.024 13.364 1.00 0.00 H new ATOM 0 HA ASP A 21 19.261 22.672 11.330 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.976 24.153 14.021 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.409 24.322 13.027 1.00 0.00 H new ATOM 339 N THR A 22 21.065 21.491 12.428 1.00 0.00 N ATOM 340 CA THR A 22 22.141 20.620 12.866 1.00 0.00 C ATOM 341 C THR A 22 23.173 21.487 13.588 1.00 0.00 C ATOM 342 O THR A 22 23.238 22.669 13.273 1.00 0.00 O ATOM 343 CB THR A 22 22.668 19.880 11.632 1.00 0.00 C ATOM 344 OG1 THR A 22 23.114 20.794 10.668 1.00 0.00 O ATOM 345 CG2 THR A 22 21.716 18.900 10.955 1.00 0.00 C ATOM 0 H THR A 22 21.178 21.826 11.471 1.00 0.00 H new ATOM 0 HA THR A 22 21.830 19.854 13.577 1.00 0.00 H new ATOM 0 HB THR A 22 23.475 19.269 12.037 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.449 20.307 9.886 1.00 0.00 H new ATOM 0 HG21 THR A 22 22.211 18.445 10.097 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.430 18.122 11.663 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.825 19.431 10.620 1.00 0.00 H new ATOM 353 N ILE A 23 23.835 20.939 14.606 1.00 0.00 N ATOM 354 CA ILE A 23 24.789 21.559 15.504 1.00 0.00 C ATOM 355 C ILE A 23 26.008 22.094 14.754 1.00 0.00 C ATOM 356 O ILE A 23 26.502 23.149 15.161 1.00 0.00 O ATOM 357 CB ILE A 23 25.091 20.563 16.626 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.868 19.996 17.349 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.254 20.878 17.569 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.944 21.113 17.829 1.00 0.00 C ATOM 0 H ILE A 23 23.699 19.955 14.839 1.00 0.00 H new ATOM 0 HA ILE A 23 24.375 22.454 15.968 1.00 0.00 H new ATOM 0 HB ILE A 23 25.490 19.744 16.027 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.322 19.331 16.679 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.191 19.396 18.200 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.347 20.084 18.310 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.178 20.949 16.996 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.067 21.826 18.074 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.084 20.680 18.339 1.00 0.00 H new ATOM 0 HD12 ILE A 23 23.485 21.762 18.518 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.603 21.696 16.973 1.00 0.00 H new ATOM 372 N GLU A 24 26.360 21.594 13.575 1.00 0.00 N ATOM 373 CA GLU A 24 27.301 22.119 12.607 1.00 0.00 C ATOM 374 C GLU A 24 26.861 23.496 12.085 1.00 0.00 C ATOM 375 O GLU A 24 27.647 24.394 11.795 1.00 0.00 O ATOM 376 CB GLU A 24 27.273 21.199 11.389 1.00 0.00 C ATOM 377 CG GLU A 24 28.620 21.156 10.662 1.00 0.00 C ATOM 378 CD GLU A 24 29.646 20.274 11.349 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.585 20.076 12.584 1.00 0.00 O ATOM 380 OE2 GLU A 24 30.674 19.972 10.712 1.00 0.00 O ATOM 0 H GLU A 24 25.948 20.721 13.245 1.00 0.00 H new ATOM 0 HA GLU A 24 28.277 22.190 13.087 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.000 20.192 11.704 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.501 21.538 10.698 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.465 20.796 9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.016 22.169 10.585 1.00 0.00 H new ATOM 387 N ASN A 25 25.554 23.607 11.894 1.00 0.00 N ATOM 388 CA ASN A 25 24.854 24.784 11.414 1.00 0.00 C ATOM 389 C ASN A 25 24.871 25.946 12.404 1.00 0.00 C ATOM 390 O ASN A 25 24.980 27.130 12.115 1.00 0.00 O ATOM 391 CB ASN A 25 23.439 24.394 10.971 1.00 0.00 C ATOM 392 CG ASN A 25 23.007 25.251 9.796 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.711 26.446 9.803 1.00 0.00 O ATOM 394 ND2 ASN A 25 23.025 24.645 8.613 1.00 0.00 N ATOM 0 H ASN A 25 24.919 22.831 12.082 1.00 0.00 H new ATOM 0 HA ASN A 25 25.393 25.166 10.547 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.414 23.341 10.692 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.742 24.521 11.799 1.00 0.00 H new ATOM 0 HD21 ASN A 25 22.800 25.170 7.768 1.00 0.00 H new ATOM 0 HD22 ASN A 25 23.264 23.655 8.551 1.00 0.00 H new ATOM 401 N VAL A 26 24.800 25.536 13.672 1.00 0.00 N ATOM 402 CA VAL A 26 24.865 26.363 14.860 1.00 0.00 C ATOM 403 C VAL A 26 26.328 26.646 15.199 1.00 0.00 C ATOM 404 O VAL A 26 26.611 27.811 15.471 1.00 0.00 O ATOM 405 CB VAL A 26 24.170 25.664 16.030 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.230 26.307 17.416 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.708 25.350 15.708 1.00 0.00 C ATOM 0 H VAL A 26 24.688 24.549 13.902 1.00 0.00 H new ATOM 0 HA VAL A 26 24.352 27.306 14.673 1.00 0.00 H new ATOM 0 HB VAL A 26 24.785 24.769 16.122 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.689 25.685 18.129 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.270 26.398 17.730 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.774 27.296 17.378 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.246 24.854 16.561 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.175 26.277 15.495 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.660 24.695 14.838 1.00 0.00 H new ATOM 417 N LYS A 27 27.258 25.709 15.033 1.00 0.00 N ATOM 418 CA LYS A 27 28.703 25.839 15.069 1.00 0.00 C ATOM 419 C LYS A 27 29.186 27.000 14.204 1.00 0.00 C ATOM 420 O LYS A 27 29.892 27.928 14.584 1.00 0.00 O ATOM 421 CB LYS A 27 29.627 24.641 14.845 1.00 0.00 C ATOM 422 CG LYS A 27 29.524 23.653 16.006 1.00 0.00 C ATOM 423 CD LYS A 27 29.983 22.245 15.644 1.00 0.00 C ATOM 424 CE LYS A 27 30.362 21.321 16.802 1.00 0.00 C ATOM 425 NZ LYS A 27 30.909 20.056 16.287 1.00 0.00 N ATOM 0 H LYS A 27 26.985 24.743 14.852 1.00 0.00 H new ATOM 0 HA LYS A 27 28.812 26.002 16.141 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.364 24.142 13.912 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.657 24.984 14.743 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.123 24.019 16.840 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.490 23.613 16.349 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.188 21.765 15.074 1.00 0.00 H new ATOM 0 HD3 LYS A 27 30.844 22.329 14.981 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.098 21.810 17.441 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.486 21.122 17.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.463 19.588 17.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.129 19.434 15.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.522 20.250 15.470 1.00 0.00 H new ATOM 439 N ALA A 28 28.685 26.986 12.967 1.00 0.00 N ATOM 440 CA ALA A 28 29.091 27.891 11.913 1.00 0.00 C ATOM 441 C ALA A 28 28.462 29.266 12.136 1.00 0.00 C ATOM 442 O ALA A 28 29.065 30.221 11.650 1.00 0.00 O ATOM 443 CB ALA A 28 28.603 27.322 10.578 1.00 0.00 C ATOM 0 H ALA A 28 27.967 26.324 12.673 1.00 0.00 H new ATOM 0 HA ALA A 28 30.176 27.995 11.911 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.899 27.989 9.768 1.00 0.00 H new ATOM 0 HB2 ALA A 28 29.046 26.339 10.418 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.517 27.232 10.596 1.00 0.00 H new ATOM 449 N LYS A 29 27.312 29.429 12.787 1.00 0.00 N ATOM 450 CA LYS A 29 26.817 30.699 13.279 1.00 0.00 C ATOM 451 C LYS A 29 27.648 31.394 14.356 1.00 0.00 C ATOM 452 O LYS A 29 27.976 32.563 14.196 1.00 0.00 O ATOM 453 CB LYS A 29 25.358 30.490 13.676 1.00 0.00 C ATOM 454 CG LYS A 29 24.333 30.512 12.537 1.00 0.00 C ATOM 455 CD LYS A 29 22.879 30.243 12.907 1.00 0.00 C ATOM 456 CE LYS A 29 22.028 30.214 11.641 1.00 0.00 C ATOM 457 NZ LYS A 29 20.680 29.767 12.005 1.00 0.00 N ATOM 0 H LYS A 29 26.684 28.651 12.990 1.00 0.00 H new ATOM 0 HA LYS A 29 26.908 31.422 12.469 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.277 29.532 14.190 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.086 31.262 14.396 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.384 31.488 12.054 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.636 29.773 11.795 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.797 29.293 13.435 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.516 31.016 13.584 1.00 0.00 H new ATOM 0 HE2 LYS A 29 21.990 31.204 11.186 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.466 29.541 10.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.986 30.195 11.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.627 28.731 11.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.469 30.058 12.981 1.00 0.00 H new ATOM 471 N ILE A 30 28.081 30.625 15.350 1.00 0.00 N ATOM 472 CA ILE A 30 29.079 31.006 16.329 1.00 0.00 C ATOM 473 C ILE A 30 30.373 31.447 15.625 1.00 0.00 C ATOM 474 O ILE A 30 30.872 32.482 16.063 1.00 0.00 O ATOM 475 CB ILE A 30 29.232 29.837 17.301 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.888 29.580 17.978 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.275 30.165 18.374 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.823 28.181 18.587 1.00 0.00 C ATOM 0 H ILE A 30 27.727 29.680 15.497 1.00 0.00 H new ATOM 0 HA ILE A 30 28.782 31.877 16.913 1.00 0.00 H new ATOM 0 HB ILE A 30 29.558 28.955 16.749 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.724 30.324 18.757 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.085 29.698 17.250 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.371 29.322 19.058 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.237 30.359 17.899 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.960 31.048 18.930 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.852 28.035 19.060 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.961 27.436 17.803 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.610 28.072 19.333 1.00 0.00 H new ATOM 490 N GLN A 31 30.813 30.781 14.562 1.00 0.00 N ATOM 491 CA GLN A 31 31.918 31.275 13.766 1.00 0.00 C ATOM 492 C GLN A 31 31.629 32.636 13.124 1.00 0.00 C ATOM 493 O GLN A 31 32.571 33.422 13.195 1.00 0.00 O ATOM 494 CB GLN A 31 32.359 30.362 12.618 1.00 0.00 C ATOM 495 CG GLN A 31 33.588 30.756 11.800 1.00 0.00 C ATOM 496 CD GLN A 31 34.279 29.611 11.084 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.657 28.820 10.367 1.00 0.00 O ATOM 498 NE2 GLN A 31 35.572 29.462 11.340 1.00 0.00 N ATOM 0 H GLN A 31 30.418 29.899 14.237 1.00 0.00 H new ATOM 0 HA GLN A 31 32.714 31.334 14.509 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.542 29.372 13.035 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.519 30.267 11.929 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.290 31.499 11.061 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.308 31.237 12.463 1.00 0.00 H new ATOM 0 HE21 GLN A 31 36.055 30.134 11.936 1.00 0.00 H new ATOM 0 HE22 GLN A 31 36.084 28.675 10.940 1.00 0.00 H new ATOM 507 N ASP A 32 30.458 32.932 12.567 1.00 0.00 N ATOM 508 CA ASP A 32 30.036 34.220 12.061 1.00 0.00 C ATOM 509 C ASP A 32 30.071 35.387 13.058 1.00 0.00 C ATOM 510 O ASP A 32 30.249 36.512 12.604 1.00 0.00 O ATOM 511 CB ASP A 32 28.837 33.968 11.135 1.00 0.00 C ATOM 512 CG ASP A 32 28.230 35.256 10.595 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.879 35.983 9.807 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.062 35.432 10.996 1.00 0.00 O ATOM 0 H ASP A 32 29.733 32.223 12.453 1.00 0.00 H new ATOM 0 HA ASP A 32 30.785 34.692 11.425 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.153 33.342 10.300 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.074 33.412 11.679 1.00 0.00 H new ATOM 519 N LYS A 33 29.915 35.067 14.339 1.00 0.00 N ATOM 520 CA LYS A 33 29.795 35.989 15.453 1.00 0.00 C ATOM 521 C LYS A 33 31.145 36.230 16.110 1.00 0.00 C ATOM 522 O LYS A 33 31.584 37.383 16.190 1.00 0.00 O ATOM 523 CB LYS A 33 28.822 35.381 16.473 1.00 0.00 C ATOM 524 CG LYS A 33 28.069 36.401 17.322 1.00 0.00 C ATOM 525 CD LYS A 33 26.996 37.056 16.461 1.00 0.00 C ATOM 526 CE LYS A 33 25.766 36.205 16.151 1.00 0.00 C ATOM 527 NZ LYS A 33 24.853 36.988 15.299 1.00 0.00 N ATOM 0 H LYS A 33 29.867 34.094 14.641 1.00 0.00 H new ATOM 0 HA LYS A 33 29.425 36.948 15.092 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.097 34.765 15.941 1.00 0.00 H new ATOM 0 HB3 LYS A 33 29.379 34.718 17.135 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.615 35.913 18.185 1.00 0.00 H new ATOM 0 HG3 LYS A 33 28.757 37.154 17.706 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.665 37.967 16.960 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.451 37.357 15.517 1.00 0.00 H new ATOM 0 HE2 LYS A 33 26.060 35.286 15.645 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.265 35.914 17.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.010 36.420 15.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 24.567 37.853 15.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.337 37.244 14.415 1.00 0.00 H new ATOM 541 N GLU A 34 31.820 35.172 16.543 1.00 0.00 N ATOM 542 CA GLU A 34 32.952 35.209 17.450 1.00 0.00 C ATOM 543 C GLU A 34 34.253 34.681 16.838 1.00 0.00 C ATOM 544 O GLU A 34 35.328 34.963 17.350 1.00 0.00 O ATOM 545 CB GLU A 34 32.523 34.549 18.763 1.00 0.00 C ATOM 546 CG GLU A 34 31.345 35.245 19.451 1.00 0.00 C ATOM 547 CD GLU A 34 31.641 36.716 19.704 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.771 37.047 20.124 1.00 0.00 O ATOM 549 OE2 GLU A 34 30.659 37.462 19.485 1.00 0.00 O ATOM 0 H GLU A 34 31.579 34.223 16.256 1.00 0.00 H new ATOM 0 HA GLU A 34 33.224 36.242 17.665 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.254 33.511 18.566 1.00 0.00 H new ATOM 0 HB3 GLU A 34 33.373 34.534 19.446 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.453 35.153 18.831 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.128 34.748 20.397 1.00 0.00 H new ATOM 556 N GLY A 35 34.231 33.873 15.785 1.00 0.00 N ATOM 557 CA GLY A 35 35.437 33.562 15.038 1.00 0.00 C ATOM 558 C GLY A 35 36.031 32.211 15.458 1.00 0.00 C ATOM 559 O GLY A 35 37.175 31.986 15.064 1.00 0.00 O ATOM 0 H GLY A 35 33.388 33.422 15.431 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.211 33.545 13.972 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.175 34.349 15.194 1.00 0.00 H new ATOM 563 N ILE A 36 35.304 31.399 16.218 1.00 0.00 N ATOM 564 CA ILE A 36 35.764 30.046 16.473 1.00 0.00 C ATOM 565 C ILE A 36 35.404 29.081 15.345 1.00 0.00 C ATOM 566 O ILE A 36 34.253 29.067 14.926 1.00 0.00 O ATOM 567 CB ILE A 36 35.168 29.599 17.807 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.380 30.520 19.006 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.622 28.198 18.225 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.442 30.168 20.157 1.00 0.00 C ATOM 0 H ILE A 36 34.417 31.648 16.656 1.00 0.00 H new ATOM 0 HA ILE A 36 36.853 30.037 16.520 1.00 0.00 H new ATOM 0 HB ILE A 36 34.105 29.624 17.568 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.414 30.447 19.343 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.215 31.554 18.705 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.165 27.937 19.180 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.317 27.476 17.468 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.707 28.182 18.326 1.00 0.00 H new ATOM 0 HD11 ILE A 36 34.622 30.844 20.993 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.408 30.266 19.827 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.625 29.142 20.475 1.00 0.00 H new ATOM 582 N PRO A 37 36.343 28.270 14.867 1.00 0.00 N ATOM 583 CA PRO A 37 36.238 27.251 13.832 1.00 0.00 C ATOM 584 C PRO A 37 35.403 26.034 14.246 1.00 0.00 C ATOM 585 O PRO A 37 35.717 25.510 15.315 1.00 0.00 O ATOM 586 CB PRO A 37 37.665 26.878 13.444 1.00 0.00 C ATOM 587 CG PRO A 37 38.483 27.116 14.704 1.00 0.00 C ATOM 588 CD PRO A 37 37.712 28.273 15.330 1.00 0.00 C ATOM 0 HA PRO A 37 35.693 27.650 12.977 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.729 25.839 13.121 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.024 27.491 12.617 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.510 26.239 15.351 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.517 27.380 14.482 1.00 0.00 H new ATOM 0 HD2 PRO A 37 37.736 28.190 16.417 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.189 29.219 15.072 1.00 0.00 H new ATOM 596 N PRO A 38 34.318 25.608 13.604 1.00 0.00 N ATOM 597 CA PRO A 38 33.611 24.370 13.846 1.00 0.00 C ATOM 598 C PRO A 38 34.448 23.123 14.109 1.00 0.00 C ATOM 599 O PRO A 38 34.064 22.446 15.061 1.00 0.00 O ATOM 600 CB PRO A 38 32.568 24.208 12.741 1.00 0.00 C ATOM 601 CG PRO A 38 32.335 25.603 12.187 1.00 0.00 C ATOM 602 CD PRO A 38 33.583 26.373 12.621 1.00 0.00 C ATOM 0 HA PRO A 38 33.129 24.462 14.819 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.924 23.532 11.963 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.644 23.784 13.134 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.228 25.591 11.102 1.00 0.00 H new ATOM 0 HG3 PRO A 38 31.427 26.049 12.592 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.216 26.574 11.756 1.00 0.00 H new ATOM 0 HD3 PRO A 38 33.298 27.339 13.038 1.00 0.00 H new ATOM 610 N ASP A 39 35.617 22.912 13.501 1.00 0.00 N ATOM 611 CA ASP A 39 36.353 21.681 13.698 1.00 0.00 C ATOM 612 C ASP A 39 36.942 21.434 15.092 1.00 0.00 C ATOM 613 O ASP A 39 36.997 20.342 15.633 1.00 0.00 O ATOM 614 CB ASP A 39 37.459 21.589 12.656 1.00 0.00 C ATOM 615 CG ASP A 39 38.039 20.186 12.551 1.00 0.00 C ATOM 616 OD1 ASP A 39 37.403 19.150 12.267 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.286 20.081 12.636 1.00 0.00 O ATOM 0 H ASP A 39 36.065 23.579 12.873 1.00 0.00 H new ATOM 0 HA ASP A 39 35.603 20.898 13.588 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.066 21.891 11.685 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.254 22.290 12.910 1.00 0.00 H new ATOM 622 N GLN A 40 37.395 22.479 15.783 1.00 0.00 N ATOM 623 CA GLN A 40 37.816 22.581 17.163 1.00 0.00 C ATOM 624 C GLN A 40 36.692 22.647 18.184 1.00 0.00 C ATOM 625 O GLN A 40 36.760 22.095 19.280 1.00 0.00 O ATOM 626 CB GLN A 40 38.574 23.910 17.154 1.00 0.00 C ATOM 627 CG GLN A 40 39.874 23.876 16.369 1.00 0.00 C ATOM 628 CD GLN A 40 40.969 23.116 17.107 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.793 22.567 18.202 1.00 0.00 O ATOM 630 NE2 GLN A 40 42.154 23.148 16.514 1.00 0.00 N ATOM 0 H GLN A 40 37.483 23.384 15.321 1.00 0.00 H new ATOM 0 HA GLN A 40 38.378 21.697 17.466 1.00 0.00 H new ATOM 0 HB2 GLN A 40 37.928 24.682 16.734 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.790 24.200 18.182 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.700 23.409 15.400 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.208 24.896 16.176 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.260 23.610 15.611 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.960 22.710 16.961 1.00 0.00 H new ATOM 639 N GLN A 41 35.671 23.428 17.839 1.00 0.00 N ATOM 640 CA GLN A 41 34.550 23.749 18.703 1.00 0.00 C ATOM 641 C GLN A 41 33.683 22.534 19.083 1.00 0.00 C ATOM 642 O GLN A 41 33.571 21.610 18.283 1.00 0.00 O ATOM 643 CB GLN A 41 33.723 24.843 18.039 1.00 0.00 C ATOM 644 CG GLN A 41 32.484 25.427 18.734 1.00 0.00 C ATOM 645 CD GLN A 41 31.508 26.295 17.957 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.319 26.374 18.252 1.00 0.00 O ATOM 647 NE2 GLN A 41 31.958 26.984 16.912 1.00 0.00 N ATOM 0 H GLN A 41 35.604 23.866 16.920 1.00 0.00 H new ATOM 0 HA GLN A 41 34.953 24.102 19.652 1.00 0.00 H new ATOM 0 HB2 GLN A 41 34.397 25.675 17.836 1.00 0.00 H new ATOM 0 HB3 GLN A 41 33.396 24.455 17.074 1.00 0.00 H new ATOM 0 HG2 GLN A 41 31.918 24.590 19.142 1.00 0.00 H new ATOM 0 HG3 GLN A 41 32.836 26.016 19.581 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.943 26.931 16.652 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.318 27.566 16.371 1.00 0.00 H new ATOM 656 N ARG A 42 33.100 22.490 20.271 1.00 0.00 N ATOM 657 CA ARG A 42 32.289 21.471 20.911 1.00 0.00 C ATOM 658 C ARG A 42 31.167 22.127 21.710 1.00 0.00 C ATOM 659 O ARG A 42 31.238 23.280 22.141 1.00 0.00 O ATOM 660 CB ARG A 42 33.243 20.596 21.722 1.00 0.00 C ATOM 661 CG ARG A 42 32.602 19.435 22.478 1.00 0.00 C ATOM 662 CD ARG A 42 33.678 18.598 23.178 1.00 0.00 C ATOM 663 NE ARG A 42 33.644 17.185 22.780 1.00 0.00 N ATOM 664 CZ ARG A 42 34.672 16.385 22.463 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.915 16.874 22.453 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.503 15.109 22.089 1.00 0.00 N ATOM 0 H ARG A 42 33.203 23.288 20.897 1.00 0.00 H new ATOM 0 HA ARG A 42 31.771 20.825 20.202 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.998 20.192 21.047 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.764 21.229 22.441 1.00 0.00 H new ATOM 0 HG2 ARG A 42 31.894 19.817 23.213 1.00 0.00 H new ATOM 0 HG3 ARG A 42 32.037 18.809 21.787 1.00 0.00 H new ATOM 0 HD2 ARG A 42 34.660 19.012 22.950 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.544 18.671 24.257 1.00 0.00 H new ATOM 0 HE ARG A 42 32.719 16.757 22.739 1.00 0.00 H new ATOM 0 HH11 ARG A 42 36.080 17.853 22.686 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.699 16.268 22.212 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.565 14.713 22.037 1.00 0.00 H new ATOM 0 HH22 ARG A 42 35.313 14.534 21.856 1.00 0.00 H new ATOM 680 N LEU A 43 30.037 21.466 21.952 1.00 0.00 N ATOM 681 CA LEU A 43 28.948 22.006 22.748 1.00 0.00 C ATOM 682 C LEU A 43 28.414 21.095 23.852 1.00 0.00 C ATOM 683 O LEU A 43 28.488 19.869 23.784 1.00 0.00 O ATOM 684 CB LEU A 43 27.822 22.482 21.835 1.00 0.00 C ATOM 685 CG LEU A 43 27.888 23.792 21.055 1.00 0.00 C ATOM 686 CD1 LEU A 43 26.973 23.992 19.850 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.731 25.011 21.969 1.00 0.00 C ATOM 0 H LEU A 43 29.854 20.529 21.594 1.00 0.00 H new ATOM 0 HA LEU A 43 29.381 22.846 23.291 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.662 21.692 21.101 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.924 22.532 22.450 1.00 0.00 H new ATOM 0 HG LEU A 43 28.887 23.700 20.628 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.152 24.976 19.416 1.00 0.00 H new ATOM 0 HD12 LEU A 43 27.180 23.224 19.105 1.00 0.00 H new ATOM 0 HD13 LEU A 43 25.933 23.919 20.167 1.00 0.00 H new ATOM 0 HD21 LEU A 43 27.784 25.922 21.373 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.767 24.964 22.475 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.530 25.015 22.710 1.00 0.00 H new ATOM 699 N ILE A 44 27.732 21.620 24.865 1.00 0.00 N ATOM 700 CA ILE A 44 26.893 20.978 25.853 1.00 0.00 C ATOM 701 C ILE A 44 25.494 21.584 26.035 1.00 0.00 C ATOM 702 O ILE A 44 25.447 22.810 25.974 1.00 0.00 O ATOM 703 CB ILE A 44 27.529 20.808 27.242 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.056 20.836 27.283 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.131 19.480 27.891 1.00 0.00 C ATOM 706 CD1 ILE A 44 29.701 21.127 28.638 1.00 0.00 C ATOM 0 H ILE A 44 27.763 22.627 25.025 1.00 0.00 H new ATOM 0 HA ILE A 44 26.781 19.995 25.395 1.00 0.00 H new ATOM 0 HB ILE A 44 27.145 21.678 27.775 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.424 19.872 26.931 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.402 21.587 26.573 1.00 0.00 H new ATOM 0 HG21 ILE A 44 27.601 19.399 28.871 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.048 19.441 28.004 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.460 18.654 27.261 1.00 0.00 H new ATOM 0 HD11 ILE A 44 30.786 21.119 28.534 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.378 22.106 28.992 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.400 20.364 29.356 1.00 0.00 H new ATOM 718 N PHE A 45 24.424 20.808 26.144 1.00 0.00 N ATOM 719 CA PHE A 45 23.155 21.380 26.582 1.00 0.00 C ATOM 720 C PHE A 45 22.597 20.290 27.505 1.00 0.00 C ATOM 721 O PHE A 45 22.642 19.117 27.134 1.00 0.00 O ATOM 722 CB PHE A 45 22.242 21.788 25.426 1.00 0.00 C ATOM 723 CG PHE A 45 20.935 22.380 25.895 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.889 23.706 26.360 1.00 0.00 C ATOM 725 CD2 PHE A 45 19.773 21.614 25.834 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.706 24.303 26.788 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.579 22.240 26.241 1.00 0.00 C ATOM 728 CZ PHE A 45 18.522 23.563 26.680 1.00 0.00 C ATOM 0 H PHE A 45 24.405 19.808 25.942 1.00 0.00 H new ATOM 0 HA PHE A 45 23.259 22.333 27.100 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.760 22.513 24.798 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.039 20.916 24.804 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.803 24.281 26.386 1.00 0.00 H new ATOM 0 HD2 PHE A 45 19.787 20.590 25.491 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.702 25.305 27.191 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.663 21.668 26.212 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.573 24.012 26.934 1.00 0.00 H new ATOM 738 N ALA A 46 21.899 20.706 28.551 1.00 0.00 N ATOM 739 CA ALA A 46 21.064 19.933 29.449 1.00 0.00 C ATOM 740 C ALA A 46 21.827 18.759 30.080 1.00 0.00 C ATOM 741 O ALA A 46 21.295 17.666 30.253 1.00 0.00 O ATOM 742 CB ALA A 46 19.833 19.384 28.730 1.00 0.00 C ATOM 0 H ALA A 46 21.906 21.691 28.815 1.00 0.00 H new ATOM 0 HA ALA A 46 20.754 20.619 30.238 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.228 18.809 29.431 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.243 20.211 28.335 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.148 18.739 27.910 1.00 0.00 H new ATOM 748 N GLY A 47 23.121 18.954 30.317 1.00 0.00 N ATOM 749 CA GLY A 47 23.991 17.909 30.809 1.00 0.00 C ATOM 750 C GLY A 47 24.629 17.061 29.707 1.00 0.00 C ATOM 751 O GLY A 47 25.508 16.262 30.032 1.00 0.00 O ATOM 0 H GLY A 47 23.590 19.848 30.170 1.00 0.00 H new ATOM 0 HA2 GLY A 47 24.781 18.360 31.409 1.00 0.00 H new ATOM 0 HA3 GLY A 47 23.421 17.257 31.471 1.00 0.00 H new ATOM 755 N LYS A 48 24.072 16.947 28.513 1.00 0.00 N ATOM 756 CA LYS A 48 24.457 16.026 27.461 1.00 0.00 C ATOM 757 C LYS A 48 25.553 16.745 26.670 1.00 0.00 C ATOM 758 O LYS A 48 25.312 17.856 26.194 1.00 0.00 O ATOM 759 CB LYS A 48 23.269 15.660 26.588 1.00 0.00 C ATOM 760 CG LYS A 48 22.213 14.789 27.267 1.00 0.00 C ATOM 761 CD LYS A 48 21.052 14.380 26.355 1.00 0.00 C ATOM 762 CE LYS A 48 20.114 13.346 26.990 1.00 0.00 C ATOM 763 NZ LYS A 48 20.788 12.063 27.298 1.00 0.00 N ATOM 0 H LYS A 48 23.286 17.536 28.236 1.00 0.00 H new ATOM 0 HA LYS A 48 24.820 15.080 27.862 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.794 16.578 26.243 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.634 15.139 25.703 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.693 13.889 27.650 1.00 0.00 H new ATOM 0 HG3 LYS A 48 21.813 15.327 28.126 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.477 15.268 26.091 1.00 0.00 H new ATOM 0 HD3 LYS A 48 21.454 13.973 25.427 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.695 13.759 27.908 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.279 13.158 26.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.074 11.343 27.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 21.336 11.752 26.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 21.427 12.192 28.108 1.00 0.00 H new ATOM 777 N GLN A 49 26.549 15.970 26.249 1.00 0.00 N ATOM 778 CA GLN A 49 27.523 16.369 25.256 1.00 0.00 C ATOM 779 C GLN A 49 26.825 16.136 23.910 1.00 0.00 C ATOM 780 O GLN A 49 26.550 14.996 23.570 1.00 0.00 O ATOM 781 CB GLN A 49 28.817 15.607 25.540 1.00 0.00 C ATOM 782 CG GLN A 49 30.061 15.984 24.724 1.00 0.00 C ATOM 783 CD GLN A 49 31.328 15.174 24.939 1.00 0.00 C ATOM 784 OE1 GLN A 49 32.444 15.462 24.516 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.126 14.036 25.607 1.00 0.00 N ATOM 0 H GLN A 49 26.698 15.025 26.602 1.00 0.00 H new ATOM 0 HA GLN A 49 27.840 17.412 25.262 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.057 15.735 26.596 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.622 14.546 25.384 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.799 15.920 23.668 1.00 0.00 H new ATOM 0 HG3 GLN A 49 30.293 17.028 24.932 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.195 13.807 25.954 1.00 0.00 H new ATOM 0 HE22 GLN A 49 31.903 13.396 25.770 1.00 0.00 H new ATOM 794 N LEU A 50 26.707 17.177 23.084 1.00 0.00 N ATOM 795 CA LEU A 50 25.950 17.090 21.844 1.00 0.00 C ATOM 796 C LEU A 50 26.781 16.306 20.829 1.00 0.00 C ATOM 797 O LEU A 50 27.954 16.614 20.642 1.00 0.00 O ATOM 798 CB LEU A 50 25.574 18.466 21.301 1.00 0.00 C ATOM 799 CG LEU A 50 24.914 19.510 22.207 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.431 20.757 21.461 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.904 18.862 23.156 1.00 0.00 C ATOM 0 H LEU A 50 27.129 18.090 23.256 1.00 0.00 H new ATOM 0 HA LEU A 50 25.009 16.574 22.037 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.485 18.915 20.905 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.905 18.305 20.456 1.00 0.00 H new ATOM 0 HG LEU A 50 25.686 19.922 22.857 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.975 21.450 22.168 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.278 21.240 20.974 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.696 20.469 20.710 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.453 19.629 23.786 1.00 0.00 H new ATOM 0 HD22 LEU A 50 23.126 18.365 22.576 1.00 0.00 H new ATOM 0 HD23 LEU A 50 24.412 18.130 23.784 1.00 0.00 H new ATOM 813 N GLU A 51 26.096 15.424 20.109 1.00 0.00 N ATOM 814 CA GLU A 51 26.771 14.679 19.066 1.00 0.00 C ATOM 815 C GLU A 51 26.656 15.504 17.785 1.00 0.00 C ATOM 816 O GLU A 51 25.775 16.348 17.690 1.00 0.00 O ATOM 817 CB GLU A 51 26.046 13.343 18.883 1.00 0.00 C ATOM 818 CG GLU A 51 26.266 12.415 20.080 1.00 0.00 C ATOM 819 CD GLU A 51 24.884 12.160 20.680 1.00 0.00 C ATOM 820 OE1 GLU A 51 23.987 13.025 20.785 1.00 0.00 O ATOM 821 OE2 GLU A 51 24.651 10.972 20.979 1.00 0.00 O ATOM 0 H GLU A 51 25.105 15.215 20.226 1.00 0.00 H new ATOM 0 HA GLU A 51 27.816 14.492 19.311 1.00 0.00 H new ATOM 0 HB2 GLU A 51 24.979 13.522 18.752 1.00 0.00 H new ATOM 0 HB3 GLU A 51 26.401 12.857 17.975 1.00 0.00 H new ATOM 0 HG2 GLU A 51 26.733 11.481 19.768 1.00 0.00 H new ATOM 0 HG3 GLU A 51 26.930 12.875 20.812 1.00 0.00 H new ATOM 828 N ASP A 52 27.559 15.195 16.847 1.00 0.00 N ATOM 829 CA ASP A 52 27.497 15.767 15.521 1.00 0.00 C ATOM 830 C ASP A 52 26.582 14.875 14.686 1.00 0.00 C ATOM 831 O ASP A 52 26.791 13.668 14.572 1.00 0.00 O ATOM 832 CB ASP A 52 28.878 15.825 14.862 1.00 0.00 C ATOM 833 CG ASP A 52 30.060 16.496 15.537 1.00 0.00 C ATOM 834 OD1 ASP A 52 30.832 15.873 16.296 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.211 17.674 15.145 1.00 0.00 O ATOM 0 H ASP A 52 28.336 14.551 16.993 1.00 0.00 H new ATOM 0 HA ASP A 52 27.123 16.789 15.586 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.174 14.796 14.659 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.746 16.315 13.897 1.00 0.00 H new ATOM 840 N GLY A 53 25.516 15.460 14.140 1.00 0.00 N ATOM 841 CA GLY A 53 24.593 14.668 13.369 1.00 0.00 C ATOM 842 C GLY A 53 23.136 14.855 13.797 1.00 0.00 C ATOM 843 O GLY A 53 22.161 14.618 13.080 1.00 0.00 O ATOM 0 H GLY A 53 25.285 16.450 14.220 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.692 14.929 12.315 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.860 13.616 13.463 1.00 0.00 H new ATOM 847 N ARG A 54 23.007 15.082 15.106 1.00 0.00 N ATOM 848 CA ARG A 54 21.719 15.332 15.709 1.00 0.00 C ATOM 849 C ARG A 54 21.274 16.791 15.569 1.00 0.00 C ATOM 850 O ARG A 54 22.107 17.582 15.122 1.00 0.00 O ATOM 851 CB ARG A 54 21.810 14.962 17.189 1.00 0.00 C ATOM 852 CG ARG A 54 21.645 13.471 17.494 1.00 0.00 C ATOM 853 CD ARG A 54 21.197 13.095 18.911 1.00 0.00 C ATOM 854 NE ARG A 54 21.975 12.000 19.504 1.00 0.00 N ATOM 855 CZ ARG A 54 21.595 10.749 19.795 1.00 0.00 C ATOM 856 NH1 ARG A 54 20.427 10.251 19.393 1.00 0.00 N ATOM 857 NH2 ARG A 54 22.369 9.969 20.577 1.00 0.00 N ATOM 0 H ARG A 54 23.789 15.095 15.761 1.00 0.00 H new ATOM 0 HA ARG A 54 20.975 14.727 15.192 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.776 15.291 17.572 1.00 0.00 H new ATOM 0 HB3 ARG A 54 21.046 15.516 17.734 1.00 0.00 H new ATOM 0 HG2 ARG A 54 20.922 13.059 16.790 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.597 12.978 17.298 1.00 0.00 H new ATOM 0 HD2 ARG A 54 21.275 13.973 19.552 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.145 12.810 18.887 1.00 0.00 H new ATOM 0 HE ARG A 54 22.945 12.224 19.726 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.789 10.827 18.845 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.171 9.293 19.633 1.00 0.00 H new ATOM 0 HH21 ARG A 54 23.247 10.331 20.949 1.00 0.00 H new ATOM 0 HH22 ARG A 54 22.076 9.017 20.796 1.00 0.00 H new ATOM 871 N THR A 55 20.021 17.123 15.853 1.00 0.00 N ATOM 872 CA THR A 55 19.428 18.445 15.708 1.00 0.00 C ATOM 873 C THR A 55 19.214 18.936 17.138 1.00 0.00 C ATOM 874 O THR A 55 19.222 18.193 18.124 1.00 0.00 O ATOM 875 CB THR A 55 18.133 18.526 14.908 1.00 0.00 C ATOM 876 OG1 THR A 55 17.105 17.729 15.436 1.00 0.00 O ATOM 877 CG2 THR A 55 18.415 18.075 13.475 1.00 0.00 C ATOM 0 H THR A 55 19.355 16.438 16.211 1.00 0.00 H new ATOM 0 HA THR A 55 20.103 19.063 15.116 1.00 0.00 H new ATOM 0 HB THR A 55 17.792 19.561 14.949 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.488 16.911 15.816 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.497 18.127 12.890 1.00 0.00 H new ATOM 0 HG22 THR A 55 19.167 18.727 13.030 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.782 17.049 13.482 1.00 0.00 H new ATOM 885 N LEU A 56 18.913 20.230 17.284 1.00 0.00 N ATOM 886 CA LEU A 56 18.516 21.009 18.441 1.00 0.00 C ATOM 887 C LEU A 56 17.279 20.318 19.005 1.00 0.00 C ATOM 888 O LEU A 56 17.215 20.192 20.227 1.00 0.00 O ATOM 889 CB LEU A 56 18.308 22.470 18.033 1.00 0.00 C ATOM 890 CG LEU A 56 19.561 23.244 17.625 1.00 0.00 C ATOM 891 CD1 LEU A 56 19.227 24.573 16.952 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.422 23.579 18.849 1.00 0.00 C ATOM 0 H LEU A 56 18.951 20.835 16.464 1.00 0.00 H new ATOM 0 HA LEU A 56 19.274 21.050 19.223 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.604 22.496 17.201 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.838 22.994 18.865 1.00 0.00 H new ATOM 0 HG LEU A 56 20.093 22.595 16.929 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.150 25.086 16.681 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.637 24.388 16.054 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.655 25.196 17.640 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.307 24.130 18.531 1.00 0.00 H new ATOM 0 HD22 LEU A 56 19.845 24.189 19.544 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.727 22.656 19.343 1.00 0.00 H new ATOM 904 N SER A 57 16.258 19.977 18.226 1.00 0.00 N ATOM 905 CA SER A 57 15.052 19.230 18.494 1.00 0.00 C ATOM 906 C SER A 57 15.424 17.973 19.275 1.00 0.00 C ATOM 907 O SER A 57 14.741 17.718 20.272 1.00 0.00 O ATOM 908 CB SER A 57 14.319 18.892 17.198 1.00 0.00 C ATOM 909 OG SER A 57 12.924 19.064 17.304 1.00 0.00 O ATOM 0 H SER A 57 16.270 20.267 17.248 1.00 0.00 H new ATOM 0 HA SER A 57 14.368 19.833 19.091 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.699 19.523 16.395 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.534 17.860 16.922 1.00 0.00 H new ATOM 0 HG SER A 57 12.501 18.837 16.450 1.00 0.00 H new ATOM 915 N ASP A 58 16.462 17.184 18.984 1.00 0.00 N ATOM 916 CA ASP A 58 16.823 16.007 19.739 1.00 0.00 C ATOM 917 C ASP A 58 17.190 16.288 21.188 1.00 0.00 C ATOM 918 O ASP A 58 17.213 15.397 22.042 1.00 0.00 O ATOM 919 CB ASP A 58 17.911 15.214 19.007 1.00 0.00 C ATOM 920 CG ASP A 58 17.474 14.703 17.643 1.00 0.00 C ATOM 921 OD1 ASP A 58 17.063 13.541 17.411 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.832 15.353 16.635 1.00 0.00 O ATOM 0 H ASP A 58 17.083 17.361 18.194 1.00 0.00 H new ATOM 0 HA ASP A 58 15.926 15.390 19.800 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.790 15.846 18.885 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.210 14.367 19.625 1.00 0.00 H new ATOM 927 N TYR A 59 17.461 17.554 21.479 1.00 0.00 N ATOM 928 CA TYR A 59 17.940 17.996 22.785 1.00 0.00 C ATOM 929 C TYR A 59 16.913 18.890 23.488 1.00 0.00 C ATOM 930 O TYR A 59 17.287 19.361 24.557 1.00 0.00 O ATOM 931 CB TYR A 59 19.271 18.714 22.557 1.00 0.00 C ATOM 932 CG TYR A 59 20.353 17.929 21.866 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.735 16.751 22.511 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.954 18.384 20.684 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.529 15.831 21.828 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.972 17.554 20.188 1.00 0.00 C ATOM 937 CZ TYR A 59 22.254 16.288 20.723 1.00 0.00 C ATOM 938 OH TYR A 59 23.179 15.486 20.134 1.00 0.00 O ATOM 0 H TYR A 59 17.353 18.313 20.807 1.00 0.00 H new ATOM 0 HA TYR A 59 18.085 17.144 23.449 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.077 19.613 21.972 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.652 19.039 23.525 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.420 16.555 23.525 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.658 19.300 20.194 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.582 14.799 22.142 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.565 17.906 19.357 1.00 0.00 H new ATOM 0 HH TYR A 59 23.226 14.633 20.614 1.00 0.00 H new ATOM 948 N ASN A 60 15.740 19.113 22.900 1.00 0.00 N ATOM 949 CA ASN A 60 14.597 19.812 23.441 1.00 0.00 C ATOM 950 C ASN A 60 14.817 21.331 23.458 1.00 0.00 C ATOM 951 O ASN A 60 14.163 22.049 24.207 1.00 0.00 O ATOM 952 CB ASN A 60 14.011 19.265 24.734 1.00 0.00 C ATOM 953 CG ASN A 60 13.568 17.819 24.700 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.631 17.437 23.988 1.00 0.00 O ATOM 955 ND2 ASN A 60 14.135 16.938 25.513 1.00 0.00 N ATOM 0 H ASN A 60 15.559 18.778 21.954 1.00 0.00 H new ATOM 0 HA ASN A 60 13.797 19.599 22.732 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.754 19.379 25.523 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.155 19.880 25.011 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.796 15.976 25.539 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.910 17.222 26.113 1.00 0.00 H new ATOM 962 N ILE A 61 15.780 21.906 22.740 1.00 0.00 N ATOM 963 CA ILE A 61 16.106 23.318 22.814 1.00 0.00 C ATOM 964 C ILE A 61 15.023 24.233 22.250 1.00 0.00 C ATOM 965 O ILE A 61 14.715 24.043 21.070 1.00 0.00 O ATOM 966 CB ILE A 61 17.447 23.513 22.106 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.621 22.737 22.709 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.921 24.943 21.902 1.00 0.00 C ATOM 969 CD1 ILE A 61 20.017 22.758 22.093 1.00 0.00 C ATOM 0 H ILE A 61 16.362 21.390 22.081 1.00 0.00 H new ATOM 0 HA ILE A 61 16.174 23.610 23.862 1.00 0.00 H new ATOM 0 HB ILE A 61 17.176 23.101 21.134 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.728 23.082 23.737 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.315 21.692 22.753 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.883 24.938 21.389 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.192 25.486 21.300 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.029 25.432 22.870 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.687 22.137 22.688 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.972 22.370 21.075 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.391 23.782 22.075 1.00 0.00 H new ATOM 981 N GLN A 62 14.546 25.252 22.961 1.00 0.00 N ATOM 982 CA GLN A 62 13.512 26.195 22.590 1.00 0.00 C ATOM 983 C GLN A 62 14.107 27.599 22.693 1.00 0.00 C ATOM 984 O GLN A 62 15.316 27.788 22.696 1.00 0.00 O ATOM 985 CB GLN A 62 12.392 25.951 23.594 1.00 0.00 C ATOM 986 CG GLN A 62 11.662 24.614 23.452 1.00 0.00 C ATOM 987 CD GLN A 62 10.869 24.104 24.655 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.007 23.237 24.548 1.00 0.00 O ATOM 989 NE2 GLN A 62 11.133 24.571 25.866 1.00 0.00 N ATOM 0 H GLN A 62 14.911 25.450 23.893 1.00 0.00 H new ATOM 0 HA GLN A 62 13.131 26.084 21.575 1.00 0.00 H new ATOM 0 HB2 GLN A 62 12.809 26.013 24.599 1.00 0.00 H new ATOM 0 HB3 GLN A 62 11.662 26.755 23.501 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.976 24.695 22.609 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.400 23.855 23.191 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.844 25.292 25.991 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.626 24.210 26.674 1.00 0.00 H new ATOM 998 N LYS A 63 13.197 28.577 22.722 1.00 0.00 N ATOM 999 CA LYS A 63 13.531 29.954 23.029 1.00 0.00 C ATOM 1000 C LYS A 63 14.349 30.119 24.312 1.00 0.00 C ATOM 1001 O LYS A 63 14.095 29.528 25.353 1.00 0.00 O ATOM 1002 CB LYS A 63 12.265 30.806 23.151 1.00 0.00 C ATOM 1003 CG LYS A 63 12.411 32.237 23.676 1.00 0.00 C ATOM 1004 CD LYS A 63 11.081 32.984 23.581 1.00 0.00 C ATOM 1005 CE LYS A 63 11.108 34.378 24.209 1.00 0.00 C ATOM 1006 NZ LYS A 63 10.964 34.213 25.664 1.00 0.00 N ATOM 0 H LYS A 63 12.206 28.426 22.531 1.00 0.00 H new ATOM 0 HA LYS A 63 14.148 30.291 22.196 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.800 30.857 22.166 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.570 30.280 23.805 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.750 32.217 24.712 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.172 32.765 23.102 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.800 33.074 22.532 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.307 32.391 24.068 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.042 34.887 23.972 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.300 34.993 23.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.149 34.767 25.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 10.814 33.208 25.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.827 34.547 26.138 1.00 0.00 H new ATOM 1020 N GLU A 64 15.550 30.674 24.135 1.00 0.00 N ATOM 1021 CA GLU A 64 16.341 31.243 25.204 1.00 0.00 C ATOM 1022 C GLU A 64 16.976 30.161 26.068 1.00 0.00 C ATOM 1023 O GLU A 64 17.403 30.407 27.191 1.00 0.00 O ATOM 1024 CB GLU A 64 15.713 32.383 26.016 1.00 0.00 C ATOM 1025 CG GLU A 64 15.486 33.662 25.214 1.00 0.00 C ATOM 1026 CD GLU A 64 14.751 34.687 26.070 1.00 0.00 C ATOM 1027 OE1 GLU A 64 13.582 34.346 26.328 1.00 0.00 O ATOM 1028 OE2 GLU A 64 15.246 35.786 26.387 1.00 0.00 O ATOM 0 H GLU A 64 16.000 30.737 23.222 1.00 0.00 H new ATOM 0 HA GLU A 64 17.135 31.774 24.678 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.759 32.045 26.420 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.357 32.608 26.866 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.442 34.069 24.884 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.907 33.442 24.317 1.00 0.00 H new ATOM 1035 N SER A 65 17.095 28.963 25.496 1.00 0.00 N ATOM 1036 CA SER A 65 18.002 27.940 25.962 1.00 0.00 C ATOM 1037 C SER A 65 19.429 28.499 26.057 1.00 0.00 C ATOM 1038 O SER A 65 19.844 29.083 25.062 1.00 0.00 O ATOM 1039 CB SER A 65 18.039 26.815 24.921 1.00 0.00 C ATOM 1040 OG SER A 65 16.829 26.178 24.582 1.00 0.00 O ATOM 0 H SER A 65 16.549 28.681 24.682 1.00 0.00 H new ATOM 0 HA SER A 65 17.664 27.589 26.937 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.468 27.223 24.006 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.727 26.051 25.282 1.00 0.00 H new ATOM 0 HG SER A 65 16.332 26.736 23.947 1.00 0.00 H new ATOM 1046 N THR A 66 20.135 28.408 27.182 1.00 0.00 N ATOM 1047 CA THR A 66 21.534 28.739 27.367 1.00 0.00 C ATOM 1048 C THR A 66 22.373 27.462 27.274 1.00 0.00 C ATOM 1049 O THR A 66 22.254 26.572 28.121 1.00 0.00 O ATOM 1050 CB THR A 66 21.691 29.326 28.770 1.00 0.00 C ATOM 1051 OG1 THR A 66 21.030 30.564 28.717 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.125 29.501 29.288 1.00 0.00 C ATOM 0 H THR A 66 19.707 28.076 28.047 1.00 0.00 H new ATOM 0 HA THR A 66 21.862 29.447 26.606 1.00 0.00 H new ATOM 0 HB THR A 66 21.273 28.618 29.485 1.00 0.00 H new ATOM 0 HG1 THR A 66 21.088 31.003 29.591 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.100 29.925 30.292 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.623 28.532 29.316 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.672 30.171 28.625 1.00 0.00 H new ATOM 1060 N LEU A 67 23.189 27.339 26.232 1.00 0.00 N ATOM 1061 CA LEU A 67 24.119 26.259 25.994 1.00 0.00 C ATOM 1062 C LEU A 67 25.514 26.695 26.457 1.00 0.00 C ATOM 1063 O LEU A 67 25.679 27.890 26.702 1.00 0.00 O ATOM 1064 CB LEU A 67 24.146 26.175 24.475 1.00 0.00 C ATOM 1065 CG LEU A 67 23.050 25.555 23.601 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.757 26.364 23.538 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.484 25.346 22.147 1.00 0.00 C ATOM 0 H LEU A 67 23.214 28.038 25.490 1.00 0.00 H new ATOM 0 HA LEU A 67 23.849 25.331 26.499 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.264 27.200 24.122 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.064 25.644 24.223 1.00 0.00 H new ATOM 0 HG LEU A 67 22.870 24.604 24.102 1.00 0.00 H new ATOM 0 HD11 LEU A 67 21.038 25.852 22.898 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.342 26.466 24.541 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.966 27.353 23.130 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.663 24.904 21.582 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.753 26.306 21.706 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.345 24.679 22.117 1.00 0.00 H new ATOM 1079 N HIS A 68 26.501 25.818 26.586 1.00 0.00 N ATOM 1080 CA HIS A 68 27.846 26.031 27.078 1.00 0.00 C ATOM 1081 C HIS A 68 28.754 25.721 25.873 1.00 0.00 C ATOM 1082 O HIS A 68 28.829 24.558 25.472 1.00 0.00 O ATOM 1083 CB HIS A 68 28.088 25.150 28.300 1.00 0.00 C ATOM 1084 CG HIS A 68 27.021 25.128 29.352 1.00 0.00 C ATOM 1085 ND1 HIS A 68 25.862 24.352 29.291 1.00 0.00 N ATOM 1086 CD2 HIS A 68 26.884 25.963 30.426 1.00 0.00 C ATOM 1087 CE1 HIS A 68 25.205 24.579 30.423 1.00 0.00 C ATOM 1088 NE2 HIS A 68 25.747 25.588 31.108 1.00 0.00 N ATOM 0 H HIS A 68 26.360 24.843 26.320 1.00 0.00 H new ATOM 0 HA HIS A 68 28.044 27.044 27.429 1.00 0.00 H new ATOM 0 HB2 HIS A 68 28.242 24.128 27.954 1.00 0.00 H new ATOM 0 HB3 HIS A 68 29.018 25.471 28.769 1.00 0.00 H new ATOM 0 HD2 HIS A 68 27.548 26.772 30.692 1.00 0.00 H new ATOM 0 HE1 HIS A 68 24.341 24.018 30.748 1.00 0.00 H new ATOM 0 HE2 HIS A 68 25.389 26.001 31.969 1.00 0.00 H new ATOM 1096 N LEU A 69 29.601 26.660 25.482 1.00 0.00 N ATOM 1097 CA LEU A 69 30.515 26.651 24.362 1.00 0.00 C ATOM 1098 C LEU A 69 31.927 26.260 24.821 1.00 0.00 C ATOM 1099 O LEU A 69 32.487 26.829 25.744 1.00 0.00 O ATOM 1100 CB LEU A 69 30.554 28.081 23.823 1.00 0.00 C ATOM 1101 CG LEU A 69 31.316 28.356 22.525 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.791 27.459 21.401 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.204 29.843 22.165 1.00 0.00 C ATOM 0 H LEU A 69 29.668 27.537 25.999 1.00 0.00 H new ATOM 0 HA LEU A 69 30.188 25.934 23.609 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.524 28.408 23.677 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.983 28.715 24.599 1.00 0.00 H new ATOM 0 HG LEU A 69 32.371 28.121 22.664 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.342 27.665 20.483 1.00 0.00 H new ATOM 0 HD12 LEU A 69 30.925 26.413 21.677 1.00 0.00 H new ATOM 0 HD13 LEU A 69 29.732 27.659 21.241 1.00 0.00 H new ATOM 0 HD21 LEU A 69 31.748 30.035 21.240 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.155 30.107 22.031 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.630 30.445 22.968 1.00 0.00 H new ATOM 1115 N VAL A 70 32.482 25.327 24.052 1.00 0.00 N ATOM 1116 CA VAL A 70 33.776 24.701 24.268 1.00 0.00 C ATOM 1117 C VAL A 70 34.490 24.464 22.941 1.00 0.00 C ATOM 1118 O VAL A 70 33.926 24.718 21.877 1.00 0.00 O ATOM 1119 CB VAL A 70 33.657 23.536 25.251 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.520 24.007 26.695 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.627 22.462 24.898 1.00 0.00 C ATOM 0 H VAL A 70 32.014 24.971 23.219 1.00 0.00 H new ATOM 0 HA VAL A 70 34.464 25.370 24.785 1.00 0.00 H new ATOM 0 HB VAL A 70 34.613 23.022 25.149 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.439 23.142 27.354 1.00 0.00 H new ATOM 0 HG12 VAL A 70 34.397 24.593 26.971 1.00 0.00 H new ATOM 0 HG13 VAL A 70 32.626 24.623 26.793 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.631 21.688 25.665 1.00 0.00 H new ATOM 0 HG22 VAL A 70 31.636 22.913 24.842 1.00 0.00 H new ATOM 0 HG23 VAL A 70 32.879 22.019 23.934 1.00 0.00 H new ATOM 1131 N LEU A 71 35.757 24.062 23.069 1.00 0.00 N ATOM 1132 CA LEU A 71 36.574 23.629 21.956 1.00 0.00 C ATOM 1133 C LEU A 71 37.491 22.593 22.605 1.00 0.00 C ATOM 1134 O LEU A 71 37.972 22.854 23.717 1.00 0.00 O ATOM 1135 CB LEU A 71 37.306 24.793 21.275 1.00 0.00 C ATOM 1136 CG LEU A 71 38.089 25.847 22.051 1.00 0.00 C ATOM 1137 CD1 LEU A 71 39.299 26.329 21.248 1.00 0.00 C ATOM 1138 CD2 LEU A 71 37.183 26.969 22.539 1.00 0.00 C ATOM 0 H LEU A 71 36.242 24.031 23.966 1.00 0.00 H new ATOM 0 HA LEU A 71 36.007 23.208 21.126 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.004 24.348 20.566 1.00 0.00 H new ATOM 0 HB3 LEU A 71 36.558 25.330 20.691 1.00 0.00 H new ATOM 0 HG LEU A 71 38.492 25.390 22.955 1.00 0.00 H new ATOM 0 HD11 LEU A 71 39.841 27.080 21.822 1.00 0.00 H new ATOM 0 HD12 LEU A 71 39.958 25.486 21.041 1.00 0.00 H new ATOM 0 HD13 LEU A 71 38.961 26.765 20.308 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.775 27.702 23.088 1.00 0.00 H new ATOM 0 HD22 LEU A 71 36.709 27.452 21.684 1.00 0.00 H new ATOM 0 HD23 LEU A 71 36.416 26.558 23.195 1.00 0.00 H new