USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 Set 1.1: A 60 ASN : amide:sc= 0.965 K(o=2.1,f=0.17) USER MOD Set 1.2: A 62 GLN : amide:sc= 1.12 K(o=2.1,f=0.17) USER MOD Set 2.1: A 55 THR OG1 : rot -63:sc= 1.31 USER MOD Set 2.2: A 57 SER OG : rot -52:sc= 0.828 USER MOD Set 3.1: A 7 THR OG1 : rot -86:sc= 1.12 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.0304 USER MOD Single : A 1 MET CE :methyl 174:sc= -0.298 (180deg=-0.306) USER MOD Single : A 1 MET N :NH3+ 175:sc= 1.16 (180deg=1.01) USER MOD Single : A 2 GLN : amide:sc= -2.56! K(o=-2.6!,f=-0.61) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -146:sc= 0.833 (180deg=-0.715!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.13 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0611 USER MOD Single : A 25 ASN : amide:sc= 1.15 K(o=1.2,f=-0.042) USER MOD Single : A 27 LYS NZ :NH3+ -172:sc= 1.8 (180deg=1.75) USER MOD Single : A 29 LYS NZ :NH3+ 164:sc= 1.26 (180deg=1.02) USER MOD Single : A 31 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.12) USER MOD Single : A 33 LYS NZ :NH3+ -154:sc= 0.302 (180deg=-0.0188!) USER MOD Single : A 40 GLN : amide:sc= 1.17 K(o=1.2,f=-0.0024) USER MOD Single : A 41 GLN : amide:sc= 0.431 K(o=0.43,f=-5.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0375 X(o=-0.037,f=-0.26) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.0748 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 99:sc= 0.494 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 13.590 31.279 16.288 1.00 0.00 N ATOM 2 CA MET A 1 13.606 31.046 17.733 1.00 0.00 C ATOM 3 C MET A 1 14.872 31.718 18.269 1.00 0.00 C ATOM 4 O MET A 1 15.928 31.380 17.728 1.00 0.00 O ATOM 5 CB MET A 1 13.666 29.524 17.951 1.00 0.00 C ATOM 6 CG MET A 1 14.234 28.989 19.268 1.00 0.00 C ATOM 7 SD MET A 1 13.863 27.251 19.635 1.00 0.00 S ATOM 8 CE MET A 1 15.152 26.254 18.860 1.00 0.00 C ATOM 0 H1 MET A 1 12.790 30.768 15.863 1.00 0.00 H new ATOM 0 H2 MET A 1 13.489 32.297 16.102 1.00 0.00 H new ATOM 0 H3 MET A 1 14.480 30.937 15.871 1.00 0.00 H new ATOM 0 HA MET A 1 12.729 31.447 18.241 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.653 29.136 17.847 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.256 29.098 17.140 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.317 29.115 19.254 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.852 29.603 20.083 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.026 25.210 19.146 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.080 26.345 17.776 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.130 26.604 19.189 1.00 0.00 H new ATOM 20 N GLN A 2 14.839 32.497 19.341 1.00 0.00 N ATOM 21 CA GLN A 2 16.030 33.041 19.967 1.00 0.00 C ATOM 22 C GLN A 2 16.507 32.069 21.040 1.00 0.00 C ATOM 23 O GLN A 2 15.695 31.668 21.869 1.00 0.00 O ATOM 24 CB GLN A 2 15.733 34.426 20.549 1.00 0.00 C ATOM 25 CG GLN A 2 16.903 35.206 21.150 1.00 0.00 C ATOM 26 CD GLN A 2 16.636 36.672 21.445 1.00 0.00 C ATOM 27 OE1 GLN A 2 15.522 37.162 21.251 1.00 0.00 O ATOM 28 NE2 GLN A 2 17.653 37.429 21.832 1.00 0.00 N ATOM 0 H GLN A 2 13.972 32.771 19.804 1.00 0.00 H new ATOM 0 HA GLN A 2 16.823 33.163 19.229 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.293 35.035 19.759 1.00 0.00 H new ATOM 0 HB3 GLN A 2 14.974 34.310 21.322 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.204 34.717 22.077 1.00 0.00 H new ATOM 0 HG3 GLN A 2 17.749 35.140 20.466 1.00 0.00 H new ATOM 0 HE21 GLN A 2 18.570 37.010 21.989 1.00 0.00 H new ATOM 0 HE22 GLN A 2 17.519 38.430 21.973 1.00 0.00 H new ATOM 37 N ILE A 3 17.805 31.811 21.199 1.00 0.00 N ATOM 38 CA ILE A 3 18.515 31.265 22.338 1.00 0.00 C ATOM 39 C ILE A 3 19.657 32.208 22.724 1.00 0.00 C ATOM 40 O ILE A 3 20.041 33.108 21.965 1.00 0.00 O ATOM 41 CB ILE A 3 19.023 29.842 22.097 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.127 29.668 21.044 1.00 0.00 C ATOM 43 CG2 ILE A 3 17.857 28.869 21.935 1.00 0.00 C ATOM 44 CD1 ILE A 3 20.910 28.371 21.256 1.00 0.00 C ATOM 0 H ILE A 3 18.454 32.006 20.437 1.00 0.00 H new ATOM 0 HA ILE A 3 17.810 31.190 23.166 1.00 0.00 H new ATOM 0 HB ILE A 3 19.564 29.584 23.008 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.684 29.667 20.048 1.00 0.00 H new ATOM 0 HG13 ILE A 3 20.809 30.517 21.088 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.243 27.864 21.765 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.249 28.876 22.840 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.246 29.172 21.085 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.682 28.283 20.492 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.375 28.384 22.242 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.232 27.521 21.186 1.00 0.00 H new ATOM 56 N PHE A 4 20.136 32.092 23.955 1.00 0.00 N ATOM 57 CA PHE A 4 21.392 32.678 24.400 1.00 0.00 C ATOM 58 C PHE A 4 22.447 31.579 24.269 1.00 0.00 C ATOM 59 O PHE A 4 22.164 30.445 24.650 1.00 0.00 O ATOM 60 CB PHE A 4 21.066 33.043 25.845 1.00 0.00 C ATOM 61 CG PHE A 4 20.022 34.104 26.062 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.333 35.423 25.714 1.00 0.00 C ATOM 63 CD2 PHE A 4 18.661 33.819 26.215 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.327 36.375 25.496 1.00 0.00 C ATOM 65 CE2 PHE A 4 17.633 34.731 25.924 1.00 0.00 C ATOM 66 CZ PHE A 4 17.960 36.050 25.592 1.00 0.00 C ATOM 0 H PHE A 4 19.650 31.576 24.689 1.00 0.00 H new ATOM 0 HA PHE A 4 21.771 33.543 23.855 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.741 32.138 26.358 1.00 0.00 H new ATOM 0 HB3 PHE A 4 21.987 33.370 26.328 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.368 35.713 25.611 1.00 0.00 H new ATOM 0 HD2 PHE A 4 18.384 32.840 26.578 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.609 37.387 25.247 1.00 0.00 H new ATOM 0 HE2 PHE A 4 16.600 34.417 25.956 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.194 36.791 25.416 1.00 0.00 H new ATOM 76 N VAL A 5 23.683 31.908 23.897 1.00 0.00 N ATOM 77 CA VAL A 5 24.887 31.114 24.014 1.00 0.00 C ATOM 78 C VAL A 5 25.850 31.820 24.962 1.00 0.00 C ATOM 79 O VAL A 5 25.908 33.053 24.906 1.00 0.00 O ATOM 80 CB VAL A 5 25.424 30.727 22.628 1.00 0.00 C ATOM 81 CG1 VAL A 5 26.668 29.840 22.660 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.421 30.160 21.617 1.00 0.00 C ATOM 0 H VAL A 5 23.875 32.815 23.471 1.00 0.00 H new ATOM 0 HA VAL A 5 24.697 30.145 24.475 1.00 0.00 H new ATOM 0 HB VAL A 5 25.693 31.715 22.255 1.00 0.00 H new ATOM 0 HG11 VAL A 5 26.980 29.614 21.640 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.473 30.361 23.179 1.00 0.00 H new ATOM 0 HG13 VAL A 5 26.440 28.912 23.183 1.00 0.00 H new ATOM 0 HG21 VAL A 5 24.935 29.931 20.684 1.00 0.00 H new ATOM 0 HG22 VAL A 5 23.975 29.250 22.018 1.00 0.00 H new ATOM 0 HG23 VAL A 5 23.639 30.895 21.429 1.00 0.00 H new ATOM 92 N LYS A 6 26.695 31.126 25.715 1.00 0.00 N ATOM 93 CA LYS A 6 27.714 31.573 26.640 1.00 0.00 C ATOM 94 C LYS A 6 28.917 30.669 26.342 1.00 0.00 C ATOM 95 O LYS A 6 28.796 29.481 26.058 1.00 0.00 O ATOM 96 CB LYS A 6 27.164 31.506 28.055 1.00 0.00 C ATOM 97 CG LYS A 6 28.063 32.212 29.068 1.00 0.00 C ATOM 98 CD LYS A 6 27.543 32.216 30.510 1.00 0.00 C ATOM 99 CE LYS A 6 28.493 33.017 31.401 1.00 0.00 C ATOM 100 NZ LYS A 6 28.433 32.398 32.734 1.00 0.00 N ATOM 0 H LYS A 6 26.673 30.107 25.682 1.00 0.00 H new ATOM 0 HA LYS A 6 28.025 32.612 26.532 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.172 31.958 28.077 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.045 30.462 28.346 1.00 0.00 H new ATOM 0 HG2 LYS A 6 29.043 31.736 29.054 1.00 0.00 H new ATOM 0 HG3 LYS A 6 28.205 33.244 28.747 1.00 0.00 H new ATOM 0 HD2 LYS A 6 26.544 32.651 30.545 1.00 0.00 H new ATOM 0 HD3 LYS A 6 27.459 31.194 30.879 1.00 0.00 H new ATOM 0 HE2 LYS A 6 29.509 32.992 31.007 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.194 34.064 31.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 29.066 32.909 33.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.458 32.443 33.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 28.733 31.404 32.669 1.00 0.00 H new ATOM 114 N THR A 7 30.073 31.288 26.588 1.00 0.00 N ATOM 115 CA THR A 7 31.408 30.755 26.421 1.00 0.00 C ATOM 116 C THR A 7 31.940 30.487 27.831 1.00 0.00 C ATOM 117 O THR A 7 31.296 30.717 28.853 1.00 0.00 O ATOM 118 CB THR A 7 32.273 31.779 25.688 1.00 0.00 C ATOM 119 OG1 THR A 7 32.336 33.051 26.299 1.00 0.00 O ATOM 120 CG2 THR A 7 31.687 31.932 24.277 1.00 0.00 C ATOM 0 H THR A 7 30.091 32.247 26.935 1.00 0.00 H new ATOM 0 HA THR A 7 31.417 29.839 25.830 1.00 0.00 H new ATOM 0 HB THR A 7 33.297 31.405 25.695 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.576 33.594 26.003 1.00 0.00 H new ATOM 0 HG21 THR A 7 32.276 32.657 23.715 1.00 0.00 H new ATOM 0 HG22 THR A 7 31.713 30.970 23.766 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.656 32.278 24.347 1.00 0.00 H new ATOM 128 N LEU A 8 33.221 30.164 27.955 1.00 0.00 N ATOM 129 CA LEU A 8 33.799 29.816 29.235 1.00 0.00 C ATOM 130 C LEU A 8 34.706 30.918 29.802 1.00 0.00 C ATOM 131 O LEU A 8 35.191 30.960 30.938 1.00 0.00 O ATOM 132 CB LEU A 8 34.725 28.634 28.986 1.00 0.00 C ATOM 133 CG LEU A 8 34.090 27.466 28.218 1.00 0.00 C ATOM 134 CD1 LEU A 8 35.171 26.413 27.957 1.00 0.00 C ATOM 135 CD2 LEU A 8 32.842 26.856 28.860 1.00 0.00 C ATOM 0 H LEU A 8 33.879 30.137 27.176 1.00 0.00 H new ATOM 0 HA LEU A 8 32.980 29.630 29.930 1.00 0.00 H new ATOM 0 HB2 LEU A 8 35.596 28.984 28.431 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.086 28.265 29.946 1.00 0.00 H new ATOM 0 HG LEU A 8 33.710 27.873 27.281 1.00 0.00 H new ATOM 0 HD11 LEU A 8 34.738 25.574 27.412 1.00 0.00 H new ATOM 0 HD12 LEU A 8 35.974 26.854 27.366 1.00 0.00 H new ATOM 0 HD13 LEU A 8 35.572 26.060 28.907 1.00 0.00 H new ATOM 0 HD21 LEU A 8 32.474 26.040 28.237 1.00 0.00 H new ATOM 0 HD22 LEU A 8 33.092 26.473 29.849 1.00 0.00 H new ATOM 0 HD23 LEU A 8 32.069 27.620 28.951 1.00 0.00 H new ATOM 147 N THR A 9 35.004 31.876 28.940 1.00 0.00 N ATOM 148 CA THR A 9 35.739 33.082 29.292 1.00 0.00 C ATOM 149 C THR A 9 34.787 34.190 29.753 1.00 0.00 C ATOM 150 O THR A 9 35.203 35.256 30.197 1.00 0.00 O ATOM 151 CB THR A 9 36.563 33.532 28.093 1.00 0.00 C ATOM 152 OG1 THR A 9 35.853 33.489 26.867 1.00 0.00 O ATOM 153 CG2 THR A 9 37.888 32.774 27.983 1.00 0.00 C ATOM 0 H THR A 9 34.737 31.837 27.956 1.00 0.00 H new ATOM 0 HA THR A 9 36.408 32.865 30.124 1.00 0.00 H new ATOM 0 HB THR A 9 36.788 34.581 28.284 1.00 0.00 H new ATOM 0 HG1 THR A 9 36.437 33.791 26.140 1.00 0.00 H new ATOM 0 HG21 THR A 9 38.440 33.130 27.113 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.480 32.944 28.882 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.689 31.708 27.875 1.00 0.00 H new ATOM 161 N GLY A 10 33.472 34.024 29.680 1.00 0.00 N ATOM 162 CA GLY A 10 32.408 34.863 30.207 1.00 0.00 C ATOM 163 C GLY A 10 31.443 35.290 29.099 1.00 0.00 C ATOM 164 O GLY A 10 30.256 35.439 29.373 1.00 0.00 O ATOM 0 H GLY A 10 33.087 33.211 29.199 1.00 0.00 H new ATOM 0 HA2 GLY A 10 31.863 34.321 30.980 1.00 0.00 H new ATOM 0 HA3 GLY A 10 32.838 35.746 30.680 1.00 0.00 H new ATOM 168 N LYS A 11 31.945 35.385 27.866 1.00 0.00 N ATOM 169 CA LYS A 11 31.319 36.183 26.838 1.00 0.00 C ATOM 170 C LYS A 11 30.048 35.499 26.346 1.00 0.00 C ATOM 171 O LYS A 11 30.070 34.285 26.165 1.00 0.00 O ATOM 172 CB LYS A 11 32.328 36.380 25.707 1.00 0.00 C ATOM 173 CG LYS A 11 32.178 37.689 24.930 1.00 0.00 C ATOM 174 CD LYS A 11 32.966 37.726 23.616 1.00 0.00 C ATOM 175 CE LYS A 11 32.920 39.024 22.809 1.00 0.00 C ATOM 176 NZ LYS A 11 33.588 38.948 21.504 1.00 0.00 N ATOM 0 H LYS A 11 32.795 34.908 27.564 1.00 0.00 H new ATOM 0 HA LYS A 11 31.028 37.158 27.230 1.00 0.00 H new ATOM 0 HB2 LYS A 11 33.334 36.336 26.125 1.00 0.00 H new ATOM 0 HB3 LYS A 11 32.236 35.548 25.009 1.00 0.00 H new ATOM 0 HG2 LYS A 11 31.122 37.853 24.714 1.00 0.00 H new ATOM 0 HG3 LYS A 11 32.506 38.515 25.562 1.00 0.00 H new ATOM 0 HD2 LYS A 11 34.009 37.506 23.842 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.600 36.920 22.980 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.878 39.306 22.655 1.00 0.00 H new ATOM 0 HE3 LYS A 11 33.382 39.819 23.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 34.023 39.867 21.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 34.325 38.214 21.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 32.891 38.709 20.770 1.00 0.00 H new ATOM 190 N THR A 12 29.007 36.268 26.049 1.00 0.00 N ATOM 191 CA THR A 12 27.708 35.819 25.584 1.00 0.00 C ATOM 192 C THR A 12 27.484 36.278 24.133 1.00 0.00 C ATOM 193 O THR A 12 27.828 37.414 23.823 1.00 0.00 O ATOM 194 CB THR A 12 26.678 36.342 26.584 1.00 0.00 C ATOM 195 OG1 THR A 12 26.767 37.734 26.771 1.00 0.00 O ATOM 196 CG2 THR A 12 26.680 35.589 27.912 1.00 0.00 C ATOM 0 H THR A 12 29.055 37.283 26.133 1.00 0.00 H new ATOM 0 HA THR A 12 27.622 34.733 25.548 1.00 0.00 H new ATOM 0 HB THR A 12 25.709 36.141 26.127 1.00 0.00 H new ATOM 0 HG1 THR A 12 26.088 38.021 27.417 1.00 0.00 H new ATOM 0 HG21 THR A 12 25.924 36.014 28.572 1.00 0.00 H new ATOM 0 HG22 THR A 12 26.456 34.537 27.734 1.00 0.00 H new ATOM 0 HG23 THR A 12 27.661 35.677 28.379 1.00 0.00 H new ATOM 204 N ILE A 13 26.961 35.460 23.228 1.00 0.00 N ATOM 205 CA ILE A 13 26.454 35.706 21.895 1.00 0.00 C ATOM 206 C ILE A 13 24.982 35.302 22.029 1.00 0.00 C ATOM 207 O ILE A 13 24.621 34.304 22.656 1.00 0.00 O ATOM 208 CB ILE A 13 27.255 35.109 20.733 1.00 0.00 C ATOM 209 CG1 ILE A 13 27.468 33.597 20.783 1.00 0.00 C ATOM 210 CG2 ILE A 13 28.611 35.798 20.716 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.065 32.965 19.522 1.00 0.00 C ATOM 0 H ILE A 13 26.874 34.469 23.452 1.00 0.00 H new ATOM 0 HA ILE A 13 26.564 36.744 21.580 1.00 0.00 H new ATOM 0 HB ILE A 13 26.667 35.279 19.831 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.122 33.369 21.625 1.00 0.00 H new ATOM 0 HG13 ILE A 13 26.509 33.121 20.986 1.00 0.00 H new ATOM 0 HG21 ILE A 13 29.212 35.398 19.899 1.00 0.00 H new ATOM 0 HG22 ILE A 13 28.473 36.870 20.574 1.00 0.00 H new ATOM 0 HG23 ILE A 13 29.121 35.620 21.663 1.00 0.00 H new ATOM 0 HD11 ILE A 13 28.172 31.890 19.669 1.00 0.00 H new ATOM 0 HD12 ILE A 13 27.405 33.151 18.674 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.043 33.403 19.323 1.00 0.00 H new ATOM 223 N THR A 14 24.093 36.015 21.354 1.00 0.00 N ATOM 224 CA THR A 14 22.687 35.699 21.157 1.00 0.00 C ATOM 225 C THR A 14 22.644 35.044 19.778 1.00 0.00 C ATOM 226 O THR A 14 23.376 35.478 18.885 1.00 0.00 O ATOM 227 CB THR A 14 22.147 37.125 21.142 1.00 0.00 C ATOM 228 OG1 THR A 14 22.358 37.789 22.368 1.00 0.00 O ATOM 229 CG2 THR A 14 20.620 37.096 21.017 1.00 0.00 C ATOM 0 H THR A 14 24.353 36.890 20.898 1.00 0.00 H new ATOM 0 HA THR A 14 22.161 35.048 21.856 1.00 0.00 H new ATOM 0 HB THR A 14 22.656 37.624 20.318 1.00 0.00 H new ATOM 0 HG1 THR A 14 21.998 38.699 22.313 1.00 0.00 H new ATOM 0 HG21 THR A 14 20.236 38.116 21.007 1.00 0.00 H new ATOM 0 HG22 THR A 14 20.340 36.594 20.091 1.00 0.00 H new ATOM 0 HG23 THR A 14 20.196 36.558 21.864 1.00 0.00 H new ATOM 237 N LEU A 15 21.831 34.011 19.588 1.00 0.00 N ATOM 238 CA LEU A 15 21.695 33.215 18.382 1.00 0.00 C ATOM 239 C LEU A 15 20.209 33.082 18.036 1.00 0.00 C ATOM 240 O LEU A 15 19.394 32.579 18.811 1.00 0.00 O ATOM 241 CB LEU A 15 22.540 31.945 18.383 1.00 0.00 C ATOM 242 CG LEU A 15 23.560 31.903 17.244 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.959 32.263 17.760 1.00 0.00 C ATOM 244 CD2 LEU A 15 23.601 30.480 16.687 1.00 0.00 C ATOM 0 H LEU A 15 21.207 33.688 20.327 1.00 0.00 H new ATOM 0 HA LEU A 15 22.146 33.733 17.536 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.064 31.865 19.335 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.883 31.078 18.307 1.00 0.00 H new ATOM 0 HG LEU A 15 23.269 32.620 16.476 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.671 32.228 16.936 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.943 33.267 18.183 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.258 31.550 18.528 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.323 30.429 15.872 1.00 0.00 H new ATOM 0 HD22 LEU A 15 23.895 29.788 17.477 1.00 0.00 H new ATOM 0 HD23 LEU A 15 22.614 30.207 16.314 1.00 0.00 H new ATOM 256 N GLU A 16 19.824 33.452 16.821 1.00 0.00 N ATOM 257 CA GLU A 16 18.658 33.034 16.058 1.00 0.00 C ATOM 258 C GLU A 16 18.848 31.657 15.420 1.00 0.00 C ATOM 259 O GLU A 16 19.895 31.346 14.849 1.00 0.00 O ATOM 260 CB GLU A 16 18.325 34.066 14.984 1.00 0.00 C ATOM 261 CG GLU A 16 19.167 34.266 13.717 1.00 0.00 C ATOM 262 CD GLU A 16 20.614 34.716 13.833 1.00 0.00 C ATOM 263 OE1 GLU A 16 21.548 34.063 14.359 1.00 0.00 O ATOM 264 OE2 GLU A 16 20.861 35.907 13.577 1.00 0.00 O ATOM 0 H GLU A 16 20.381 34.123 16.292 1.00 0.00 H new ATOM 0 HA GLU A 16 17.827 32.960 16.759 1.00 0.00 H new ATOM 0 HB2 GLU A 16 17.312 33.845 14.648 1.00 0.00 H new ATOM 0 HB3 GLU A 16 18.291 35.033 15.486 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.163 33.322 13.172 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.649 34.995 13.094 1.00 0.00 H new ATOM 271 N VAL A 17 17.837 30.818 15.597 1.00 0.00 N ATOM 272 CA VAL A 17 17.751 29.444 15.151 1.00 0.00 C ATOM 273 C VAL A 17 16.310 29.048 14.811 1.00 0.00 C ATOM 274 O VAL A 17 15.354 29.690 15.242 1.00 0.00 O ATOM 275 CB VAL A 17 18.464 28.523 16.137 1.00 0.00 C ATOM 276 CG1 VAL A 17 19.993 28.599 16.241 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.797 28.448 17.518 1.00 0.00 C ATOM 0 H VAL A 17 16.995 31.107 16.094 1.00 0.00 H new ATOM 0 HA VAL A 17 18.284 29.331 14.207 1.00 0.00 H new ATOM 0 HB VAL A 17 18.314 27.570 15.630 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.343 27.883 16.984 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.436 28.364 15.273 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.288 29.605 16.540 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.364 27.774 18.160 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.775 29.442 17.966 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.778 28.076 17.410 1.00 0.00 H new ATOM 287 N GLU A 18 16.209 27.979 14.027 1.00 0.00 N ATOM 288 CA GLU A 18 15.053 27.234 13.584 1.00 0.00 C ATOM 289 C GLU A 18 15.388 25.836 14.128 1.00 0.00 C ATOM 290 O GLU A 18 16.535 25.540 14.472 1.00 0.00 O ATOM 291 CB GLU A 18 14.996 27.202 12.055 1.00 0.00 C ATOM 292 CG GLU A 18 14.240 28.425 11.546 1.00 0.00 C ATOM 293 CD GLU A 18 14.279 28.421 10.021 1.00 0.00 C ATOM 294 OE1 GLU A 18 15.153 27.736 9.445 1.00 0.00 O ATOM 295 OE2 GLU A 18 13.523 29.207 9.414 1.00 0.00 O ATOM 0 H GLU A 18 17.058 27.566 13.640 1.00 0.00 H new ATOM 0 HA GLU A 18 14.096 27.639 13.914 1.00 0.00 H new ATOM 0 HB2 GLU A 18 16.005 27.188 11.644 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.502 26.290 11.718 1.00 0.00 H new ATOM 0 HG2 GLU A 18 13.209 28.406 11.898 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.692 29.338 11.934 1.00 0.00 H new ATOM 302 N PRO A 19 14.412 24.975 14.385 1.00 0.00 N ATOM 303 CA PRO A 19 14.662 23.716 15.065 1.00 0.00 C ATOM 304 C PRO A 19 15.318 22.621 14.222 1.00 0.00 C ATOM 305 O PRO A 19 15.860 21.667 14.788 1.00 0.00 O ATOM 306 CB PRO A 19 13.260 23.267 15.487 1.00 0.00 C ATOM 307 CG PRO A 19 12.359 23.796 14.377 1.00 0.00 C ATOM 308 CD PRO A 19 13.016 25.136 14.046 1.00 0.00 C ATOM 0 HA PRO A 19 15.377 23.871 15.873 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.196 22.182 15.571 1.00 0.00 H new ATOM 0 HB3 PRO A 19 12.983 23.679 16.457 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.338 23.128 13.516 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.329 23.918 14.711 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.894 25.383 12.991 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.564 25.947 14.618 1.00 0.00 H new ATOM 316 N SER A 20 15.291 22.722 12.898 1.00 0.00 N ATOM 317 CA SER A 20 15.784 21.705 11.998 1.00 0.00 C ATOM 318 C SER A 20 17.289 21.832 11.775 1.00 0.00 C ATOM 319 O SER A 20 17.791 21.143 10.881 1.00 0.00 O ATOM 320 CB SER A 20 15.011 21.893 10.682 1.00 0.00 C ATOM 321 OG SER A 20 14.896 23.267 10.393 1.00 0.00 O ATOM 0 H SER A 20 14.914 23.538 12.416 1.00 0.00 H new ATOM 0 HA SER A 20 15.629 20.709 12.413 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.527 21.382 9.869 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.021 21.444 10.763 1.00 0.00 H new ATOM 0 HG SER A 20 14.405 23.385 9.553 1.00 0.00 H new ATOM 327 N ASP A 21 18.013 22.724 12.448 1.00 0.00 N ATOM 328 CA ASP A 21 19.436 22.962 12.378 1.00 0.00 C ATOM 329 C ASP A 21 20.288 21.951 13.138 1.00 0.00 C ATOM 330 O ASP A 21 19.895 21.593 14.248 1.00 0.00 O ATOM 331 CB ASP A 21 19.762 24.385 12.846 1.00 0.00 C ATOM 332 CG ASP A 21 20.581 25.153 11.822 1.00 0.00 C ATOM 333 OD1 ASP A 21 21.510 24.518 11.285 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.293 26.338 11.584 1.00 0.00 O ATOM 0 H ASP A 21 17.567 23.353 13.116 1.00 0.00 H new ATOM 0 HA ASP A 21 19.700 22.838 11.328 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.834 24.922 13.043 1.00 0.00 H new ATOM 0 HB3 ASP A 21 20.310 24.339 13.787 1.00 0.00 H new ATOM 339 N THR A 22 21.419 21.520 12.598 1.00 0.00 N ATOM 340 CA THR A 22 22.325 20.525 13.136 1.00 0.00 C ATOM 341 C THR A 22 23.489 21.095 13.951 1.00 0.00 C ATOM 342 O THR A 22 24.054 22.113 13.575 1.00 0.00 O ATOM 343 CB THR A 22 22.713 19.576 11.996 1.00 0.00 C ATOM 344 OG1 THR A 22 23.320 20.336 10.973 1.00 0.00 O ATOM 345 CG2 THR A 22 21.600 18.769 11.344 1.00 0.00 C ATOM 0 H THR A 22 21.749 21.887 11.705 1.00 0.00 H new ATOM 0 HA THR A 22 21.813 19.945 13.904 1.00 0.00 H new ATOM 0 HB THR A 22 23.362 18.843 12.475 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.577 19.745 10.235 1.00 0.00 H new ATOM 0 HG21 THR A 22 22.018 18.143 10.556 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.121 18.138 12.093 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.862 19.447 10.915 1.00 0.00 H new ATOM 353 N ILE A 23 23.810 20.541 15.110 1.00 0.00 N ATOM 354 CA ILE A 23 24.856 21.055 15.975 1.00 0.00 C ATOM 355 C ILE A 23 26.153 21.509 15.296 1.00 0.00 C ATOM 356 O ILE A 23 26.674 22.594 15.523 1.00 0.00 O ATOM 357 CB ILE A 23 24.920 20.223 17.254 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.667 20.388 18.113 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.175 20.338 18.131 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.099 19.065 18.628 1.00 0.00 C ATOM 0 H ILE A 23 23.345 19.712 15.479 1.00 0.00 H new ATOM 0 HA ILE A 23 24.578 22.055 16.309 1.00 0.00 H new ATOM 0 HB ILE A 23 24.982 19.215 16.844 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.901 21.029 18.963 1.00 0.00 H new ATOM 0 HG13 ILE A 23 22.902 20.900 17.530 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.072 19.689 19.001 1.00 0.00 H new ATOM 0 HG22 ILE A 23 27.050 20.037 17.555 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.295 21.370 18.460 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.211 19.260 19.230 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.833 18.430 17.783 1.00 0.00 H new ATOM 0 HD13 ILE A 23 23.848 18.561 19.239 1.00 0.00 H new ATOM 372 N GLU A 24 26.657 20.790 14.293 1.00 0.00 N ATOM 373 CA GLU A 24 27.837 21.166 13.530 1.00 0.00 C ATOM 374 C GLU A 24 27.565 22.243 12.476 1.00 0.00 C ATOM 375 O GLU A 24 28.501 22.865 11.980 1.00 0.00 O ATOM 376 CB GLU A 24 28.423 19.973 12.771 1.00 0.00 C ATOM 377 CG GLU A 24 29.847 19.522 13.064 1.00 0.00 C ATOM 378 CD GLU A 24 30.381 18.220 12.462 1.00 0.00 C ATOM 379 OE1 GLU A 24 29.653 17.568 11.683 1.00 0.00 O ATOM 380 OE2 GLU A 24 31.553 17.940 12.800 1.00 0.00 O ATOM 0 H GLU A 24 26.243 19.910 13.985 1.00 0.00 H new ATOM 0 HA GLU A 24 28.528 21.547 14.282 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.768 19.120 12.948 1.00 0.00 H new ATOM 0 HB3 GLU A 24 28.366 20.203 11.707 1.00 0.00 H new ATOM 0 HG2 GLU A 24 30.512 20.323 12.743 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.944 19.441 14.147 1.00 0.00 H new ATOM 387 N ASN A 25 26.298 22.511 12.164 1.00 0.00 N ATOM 388 CA ASN A 25 25.928 23.726 11.478 1.00 0.00 C ATOM 389 C ASN A 25 25.610 24.896 12.410 1.00 0.00 C ATOM 390 O ASN A 25 25.875 26.015 11.983 1.00 0.00 O ATOM 391 CB ASN A 25 24.644 23.427 10.695 1.00 0.00 C ATOM 392 CG ASN A 25 24.478 24.258 9.439 1.00 0.00 C ATOM 393 OD1 ASN A 25 25.315 24.286 8.548 1.00 0.00 O ATOM 394 ND2 ASN A 25 23.482 25.140 9.485 1.00 0.00 N ATOM 0 H ASN A 25 25.515 21.894 12.381 1.00 0.00 H new ATOM 0 HA ASN A 25 26.777 24.018 10.860 1.00 0.00 H new ATOM 0 HB2 ASN A 25 24.634 22.371 10.423 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.786 23.597 11.346 1.00 0.00 H new ATOM 0 HD21 ASN A 25 23.405 25.860 8.767 1.00 0.00 H new ATOM 0 HD22 ASN A 25 22.796 25.096 10.239 1.00 0.00 H new ATOM 401 N VAL A 26 25.234 24.651 13.661 1.00 0.00 N ATOM 402 CA VAL A 26 25.187 25.752 14.617 1.00 0.00 C ATOM 403 C VAL A 26 26.603 26.239 14.929 1.00 0.00 C ATOM 404 O VAL A 26 26.735 27.452 15.125 1.00 0.00 O ATOM 405 CB VAL A 26 24.388 25.215 15.810 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.230 26.202 16.970 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.996 24.780 15.344 1.00 0.00 C ATOM 0 H VAL A 26 24.967 23.737 14.027 1.00 0.00 H new ATOM 0 HA VAL A 26 24.690 26.648 14.245 1.00 0.00 H new ATOM 0 HB VAL A 26 24.968 24.376 16.194 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.652 25.736 17.768 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.214 26.479 17.349 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.712 27.095 16.620 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.430 24.399 16.194 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.473 25.634 14.914 1.00 0.00 H new ATOM 0 HG23 VAL A 26 23.092 23.997 14.592 1.00 0.00 H new ATOM 417 N LYS A 27 27.636 25.415 15.010 1.00 0.00 N ATOM 418 CA LYS A 27 29.040 25.775 15.100 1.00 0.00 C ATOM 419 C LYS A 27 29.539 26.584 13.904 1.00 0.00 C ATOM 420 O LYS A 27 30.281 27.547 14.098 1.00 0.00 O ATOM 421 CB LYS A 27 29.923 24.545 15.318 1.00 0.00 C ATOM 422 CG LYS A 27 29.589 23.727 16.556 1.00 0.00 C ATOM 423 CD LYS A 27 30.407 22.447 16.412 1.00 0.00 C ATOM 424 CE LYS A 27 30.038 21.273 17.331 1.00 0.00 C ATOM 425 NZ LYS A 27 31.038 20.215 17.153 1.00 0.00 N ATOM 0 H LYS A 27 27.504 24.404 15.015 1.00 0.00 H new ATOM 0 HA LYS A 27 29.118 26.424 15.972 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.845 23.900 14.443 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.962 24.869 15.384 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.852 24.264 17.467 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.522 23.510 16.611 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.324 22.107 15.380 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.455 22.694 16.583 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.011 21.599 18.371 1.00 0.00 H new ATOM 0 HE3 LYS A 27 29.043 20.899 17.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 30.734 19.361 17.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.137 19.998 16.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 31.953 20.535 17.530 1.00 0.00 H new ATOM 439 N ALA A 28 29.067 26.193 12.720 1.00 0.00 N ATOM 440 CA ALA A 28 29.301 27.030 11.565 1.00 0.00 C ATOM 441 C ALA A 28 28.543 28.367 11.608 1.00 0.00 C ATOM 442 O ALA A 28 29.166 29.341 11.206 1.00 0.00 O ATOM 443 CB ALA A 28 28.906 26.248 10.318 1.00 0.00 C ATOM 0 H ALA A 28 28.542 25.336 12.547 1.00 0.00 H new ATOM 0 HA ALA A 28 30.360 27.288 11.555 1.00 0.00 H new ATOM 0 HB1 ALA A 28 29.075 26.863 9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 28 29.508 25.342 10.251 1.00 0.00 H new ATOM 0 HB3 ALA A 28 27.851 25.979 10.376 1.00 0.00 H new ATOM 449 N LYS A 29 27.321 28.498 12.110 1.00 0.00 N ATOM 450 CA LYS A 29 26.612 29.721 12.385 1.00 0.00 C ATOM 451 C LYS A 29 27.364 30.549 13.434 1.00 0.00 C ATOM 452 O LYS A 29 27.592 31.742 13.237 1.00 0.00 O ATOM 453 CB LYS A 29 25.199 29.388 12.875 1.00 0.00 C ATOM 454 CG LYS A 29 24.211 30.416 12.336 1.00 0.00 C ATOM 455 CD LYS A 29 22.745 30.188 12.733 1.00 0.00 C ATOM 456 CE LYS A 29 21.819 31.076 11.901 1.00 0.00 C ATOM 457 NZ LYS A 29 20.400 30.951 12.280 1.00 0.00 N ATOM 0 H LYS A 29 26.764 27.679 12.351 1.00 0.00 H new ATOM 0 HA LYS A 29 26.544 30.312 11.472 1.00 0.00 H new ATOM 0 HB2 LYS A 29 24.915 28.389 12.544 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.174 29.382 13.965 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.515 31.404 12.682 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.279 30.425 11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.482 29.140 12.587 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.611 30.406 13.793 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.128 32.116 12.011 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.931 30.820 10.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 19.864 31.751 11.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 20.017 30.060 11.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 20.316 30.954 13.317 1.00 0.00 H new ATOM 471 N ILE A 30 27.973 29.967 14.453 1.00 0.00 N ATOM 472 CA ILE A 30 28.880 30.560 15.408 1.00 0.00 C ATOM 473 C ILE A 30 30.196 31.136 14.869 1.00 0.00 C ATOM 474 O ILE A 30 30.664 32.130 15.420 1.00 0.00 O ATOM 475 CB ILE A 30 29.027 29.747 16.698 1.00 0.00 C ATOM 476 CG1 ILE A 30 27.651 29.713 17.358 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.060 30.266 17.697 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.614 28.933 18.670 1.00 0.00 C ATOM 0 H ILE A 30 27.828 28.976 14.646 1.00 0.00 H new ATOM 0 HA ILE A 30 28.354 31.474 15.683 1.00 0.00 H new ATOM 0 HB ILE A 30 29.400 28.763 16.415 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.323 30.736 17.545 1.00 0.00 H new ATOM 0 HG13 ILE A 30 26.936 29.271 16.664 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.080 29.615 18.571 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.045 30.276 17.230 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.793 31.277 18.004 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.603 28.954 19.078 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.910 27.900 18.488 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.302 29.387 19.383 1.00 0.00 H new ATOM 490 N GLN A 31 30.785 30.571 13.816 1.00 0.00 N ATOM 491 CA GLN A 31 31.982 31.076 13.169 1.00 0.00 C ATOM 492 C GLN A 31 31.792 32.439 12.496 1.00 0.00 C ATOM 493 O GLN A 31 32.729 33.237 12.497 1.00 0.00 O ATOM 494 CB GLN A 31 32.516 29.960 12.271 1.00 0.00 C ATOM 495 CG GLN A 31 33.493 30.384 11.178 1.00 0.00 C ATOM 496 CD GLN A 31 32.932 30.801 9.835 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.654 31.257 8.945 1.00 0.00 O ATOM 498 NE2 GLN A 31 31.606 30.712 9.722 1.00 0.00 N ATOM 0 H GLN A 31 30.426 29.722 13.380 1.00 0.00 H new ATOM 0 HA GLN A 31 32.746 31.316 13.909 1.00 0.00 H new ATOM 0 HB2 GLN A 31 33.008 29.219 12.901 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.668 29.465 11.799 1.00 0.00 H new ATOM 0 HG2 GLN A 31 34.083 31.215 11.564 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.181 29.556 11.008 1.00 0.00 H new ATOM 0 HE21 GLN A 31 31.054 30.327 10.488 1.00 0.00 H new ATOM 0 HE22 GLN A 31 31.144 31.029 8.870 1.00 0.00 H new ATOM 507 N ASP A 32 30.551 32.690 12.100 1.00 0.00 N ATOM 508 CA ASP A 32 30.170 33.891 11.381 1.00 0.00 C ATOM 509 C ASP A 32 29.926 34.984 12.417 1.00 0.00 C ATOM 510 O ASP A 32 30.335 36.126 12.201 1.00 0.00 O ATOM 511 CB ASP A 32 28.925 33.597 10.546 1.00 0.00 C ATOM 512 CG ASP A 32 28.214 34.882 10.144 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.811 35.628 9.335 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.070 35.106 10.597 1.00 0.00 O ATOM 0 H ASP A 32 29.773 32.054 12.273 1.00 0.00 H new ATOM 0 HA ASP A 32 30.949 34.223 10.694 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.207 33.040 9.653 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.244 32.964 11.115 1.00 0.00 H new ATOM 519 N LYS A 33 29.416 34.678 13.607 1.00 0.00 N ATOM 520 CA LYS A 33 29.213 35.664 14.647 1.00 0.00 C ATOM 521 C LYS A 33 30.477 36.160 15.359 1.00 0.00 C ATOM 522 O LYS A 33 30.592 37.335 15.686 1.00 0.00 O ATOM 523 CB LYS A 33 28.337 35.004 15.714 1.00 0.00 C ATOM 524 CG LYS A 33 26.961 34.446 15.323 1.00 0.00 C ATOM 525 CD LYS A 33 25.973 35.535 14.900 1.00 0.00 C ATOM 526 CE LYS A 33 24.594 34.899 14.716 1.00 0.00 C ATOM 527 NZ LYS A 33 23.486 35.860 14.583 1.00 0.00 N ATOM 0 H LYS A 33 29.133 33.734 13.871 1.00 0.00 H new ATOM 0 HA LYS A 33 28.780 36.536 14.157 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.911 34.185 16.147 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.180 35.736 16.506 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.082 33.735 14.505 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.546 33.894 16.166 1.00 0.00 H new ATOM 0 HD2 LYS A 33 25.930 36.320 15.655 1.00 0.00 H new ATOM 0 HD3 LYS A 33 26.301 36.003 13.972 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.616 34.266 13.829 1.00 0.00 H new ATOM 0 HE3 LYS A 33 24.392 34.248 15.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 22.601 35.415 14.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.680 36.697 15.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 23.394 36.148 13.588 1.00 0.00 H new ATOM 541 N GLU A 34 31.393 35.264 15.707 1.00 0.00 N ATOM 542 CA GLU A 34 32.301 35.453 16.824 1.00 0.00 C ATOM 543 C GLU A 34 33.666 34.887 16.429 1.00 0.00 C ATOM 544 O GLU A 34 34.600 34.769 17.214 1.00 0.00 O ATOM 545 CB GLU A 34 31.598 35.019 18.111 1.00 0.00 C ATOM 546 CG GLU A 34 32.405 34.996 19.403 1.00 0.00 C ATOM 547 CD GLU A 34 33.036 36.278 19.931 1.00 0.00 C ATOM 548 OE1 GLU A 34 32.691 37.381 19.458 1.00 0.00 O ATOM 549 OE2 GLU A 34 33.876 36.210 20.858 1.00 0.00 O ATOM 0 H GLU A 34 31.525 34.380 15.216 1.00 0.00 H new ATOM 0 HA GLU A 34 32.554 36.484 17.069 1.00 0.00 H new ATOM 0 HB2 GLU A 34 30.745 35.681 18.263 1.00 0.00 H new ATOM 0 HB3 GLU A 34 31.199 34.017 17.950 1.00 0.00 H new ATOM 0 HG2 GLU A 34 31.752 34.610 20.186 1.00 0.00 H new ATOM 0 HG3 GLU A 34 33.208 34.270 19.271 1.00 0.00 H new ATOM 556 N GLY A 35 33.799 34.250 15.260 1.00 0.00 N ATOM 557 CA GLY A 35 35.051 33.984 14.594 1.00 0.00 C ATOM 558 C GLY A 35 35.798 32.662 14.747 1.00 0.00 C ATOM 559 O GLY A 35 36.809 32.386 14.105 1.00 0.00 O ATOM 0 H GLY A 35 32.995 33.896 14.741 1.00 0.00 H new ATOM 0 HA2 GLY A 35 34.871 34.119 13.527 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.741 34.769 14.903 1.00 0.00 H new ATOM 563 N ILE A 36 35.320 31.837 15.685 1.00 0.00 N ATOM 564 CA ILE A 36 35.971 30.619 16.128 1.00 0.00 C ATOM 565 C ILE A 36 35.653 29.575 15.047 1.00 0.00 C ATOM 566 O ILE A 36 34.458 29.462 14.787 1.00 0.00 O ATOM 567 CB ILE A 36 35.461 30.212 17.512 1.00 0.00 C ATOM 568 CG1 ILE A 36 35.756 31.250 18.598 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.993 28.848 17.949 1.00 0.00 C ATOM 570 CD1 ILE A 36 34.870 31.020 19.827 1.00 0.00 C ATOM 0 H ILE A 36 34.439 32.013 16.167 1.00 0.00 H new ATOM 0 HA ILE A 36 37.049 30.734 16.242 1.00 0.00 H new ATOM 0 HB ILE A 36 34.379 30.149 17.400 1.00 0.00 H new ATOM 0 HG12 ILE A 36 36.806 31.194 18.886 1.00 0.00 H new ATOM 0 HG13 ILE A 36 35.587 32.252 18.205 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.602 28.605 18.937 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.675 28.088 17.236 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.082 28.877 17.986 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.098 31.769 20.585 1.00 0.00 H new ATOM 0 HD12 ILE A 36 33.822 31.101 19.540 1.00 0.00 H new ATOM 0 HD13 ILE A 36 35.060 30.026 20.231 1.00 0.00 H new ATOM 582 N PRO A 37 36.620 28.919 14.419 1.00 0.00 N ATOM 583 CA PRO A 37 36.353 27.815 13.516 1.00 0.00 C ATOM 584 C PRO A 37 35.516 26.679 14.100 1.00 0.00 C ATOM 585 O PRO A 37 35.710 26.437 15.292 1.00 0.00 O ATOM 586 CB PRO A 37 37.700 27.458 12.888 1.00 0.00 C ATOM 587 CG PRO A 37 38.704 27.911 13.957 1.00 0.00 C ATOM 588 CD PRO A 37 38.018 28.999 14.792 1.00 0.00 C ATOM 0 HA PRO A 37 35.663 28.104 12.723 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.781 26.390 12.684 1.00 0.00 H new ATOM 0 HB3 PRO A 37 37.855 27.976 11.942 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.000 27.072 14.587 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.612 28.297 13.493 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.154 28.824 15.859 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.430 29.984 14.575 1.00 0.00 H new ATOM 596 N PRO A 38 34.719 25.954 13.315 1.00 0.00 N ATOM 597 CA PRO A 38 33.649 25.147 13.873 1.00 0.00 C ATOM 598 C PRO A 38 34.262 23.810 14.298 1.00 0.00 C ATOM 599 O PRO A 38 33.637 23.153 15.123 1.00 0.00 O ATOM 600 CB PRO A 38 32.553 25.026 12.801 1.00 0.00 C ATOM 601 CG PRO A 38 33.392 25.207 11.536 1.00 0.00 C ATOM 602 CD PRO A 38 34.491 26.205 11.908 1.00 0.00 C ATOM 0 HA PRO A 38 33.182 25.582 14.757 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.047 24.061 12.830 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.784 25.792 12.904 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.818 24.258 11.210 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.784 25.583 10.713 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.395 26.043 11.321 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.175 27.233 11.730 1.00 0.00 H new ATOM 610 N ASP A 39 35.366 23.391 13.683 1.00 0.00 N ATOM 611 CA ASP A 39 36.025 22.162 14.067 1.00 0.00 C ATOM 612 C ASP A 39 36.301 21.937 15.558 1.00 0.00 C ATOM 613 O ASP A 39 36.109 20.830 16.058 1.00 0.00 O ATOM 614 CB ASP A 39 37.285 22.127 13.193 1.00 0.00 C ATOM 615 CG ASP A 39 38.300 21.002 13.365 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.022 19.918 12.818 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.297 21.085 14.116 1.00 0.00 O ATOM 0 H ASP A 39 35.817 23.891 12.917 1.00 0.00 H new ATOM 0 HA ASP A 39 35.351 21.322 13.897 1.00 0.00 H new ATOM 0 HB2 ASP A 39 36.958 22.113 12.153 1.00 0.00 H new ATOM 0 HB3 ASP A 39 37.814 23.067 13.348 1.00 0.00 H new ATOM 622 N GLN A 40 36.851 22.963 16.192 1.00 0.00 N ATOM 623 CA GLN A 40 37.290 22.962 17.579 1.00 0.00 C ATOM 624 C GLN A 40 36.167 23.546 18.430 1.00 0.00 C ATOM 625 O GLN A 40 36.435 23.833 19.595 1.00 0.00 O ATOM 626 CB GLN A 40 38.599 23.741 17.634 1.00 0.00 C ATOM 627 CG GLN A 40 39.838 23.059 17.043 1.00 0.00 C ATOM 628 CD GLN A 40 40.485 23.975 16.009 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.136 24.952 16.385 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.404 23.552 14.750 1.00 0.00 N ATOM 0 H GLN A 40 37.010 23.859 15.732 1.00 0.00 H new ATOM 0 HA GLN A 40 37.489 21.968 17.978 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.452 24.688 17.114 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.808 23.979 18.677 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.550 22.828 17.835 1.00 0.00 H new ATOM 0 HG3 GLN A 40 39.558 22.113 16.580 1.00 0.00 H new ATOM 0 HE21 GLN A 40 39.842 22.732 14.523 1.00 0.00 H new ATOM 0 HE22 GLN A 40 40.904 24.048 14.012 1.00 0.00 H new ATOM 639 N GLN A 41 34.933 23.711 17.958 1.00 0.00 N ATOM 640 CA GLN A 41 33.771 24.085 18.736 1.00 0.00 C ATOM 641 C GLN A 41 33.034 22.832 19.206 1.00 0.00 C ATOM 642 O GLN A 41 32.974 21.805 18.532 1.00 0.00 O ATOM 643 CB GLN A 41 32.878 24.982 17.871 1.00 0.00 C ATOM 644 CG GLN A 41 33.178 26.479 17.962 1.00 0.00 C ATOM 645 CD GLN A 41 32.110 27.296 17.252 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.941 27.272 17.611 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.431 27.762 16.043 1.00 0.00 N ATOM 0 H GLN A 41 34.714 23.579 16.971 1.00 0.00 H new ATOM 0 HA GLN A 41 34.065 24.639 19.627 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.976 24.670 16.831 1.00 0.00 H new ATOM 0 HB3 GLN A 41 31.839 24.818 18.157 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.234 26.779 19.008 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.152 26.685 17.519 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.407 27.781 15.746 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.701 28.099 15.416 1.00 0.00 H new ATOM 656 N ARG A 42 32.455 22.885 20.394 1.00 0.00 N ATOM 657 CA ARG A 42 31.737 21.858 21.130 1.00 0.00 C ATOM 658 C ARG A 42 30.638 22.518 21.962 1.00 0.00 C ATOM 659 O ARG A 42 30.945 23.545 22.563 1.00 0.00 O ATOM 660 CB ARG A 42 32.648 20.915 21.926 1.00 0.00 C ATOM 661 CG ARG A 42 31.845 19.838 22.647 1.00 0.00 C ATOM 662 CD ARG A 42 32.631 18.578 23.023 1.00 0.00 C ATOM 663 NE ARG A 42 32.711 18.345 24.466 1.00 0.00 N ATOM 664 CZ ARG A 42 33.724 17.748 25.090 1.00 0.00 C ATOM 665 NH1 ARG A 42 34.778 17.254 24.412 1.00 0.00 N ATOM 666 NH2 ARG A 42 33.733 17.611 26.427 1.00 0.00 N ATOM 0 H ARG A 42 32.481 23.753 20.929 1.00 0.00 H new ATOM 0 HA ARG A 42 31.263 21.185 20.415 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.365 20.446 21.252 1.00 0.00 H new ATOM 0 HB3 ARG A 42 33.222 21.490 22.653 1.00 0.00 H new ATOM 0 HG2 ARG A 42 31.424 20.269 23.556 1.00 0.00 H new ATOM 0 HG3 ARG A 42 31.006 19.548 22.014 1.00 0.00 H new ATOM 0 HD2 ARG A 42 32.164 17.714 22.549 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.641 18.656 22.620 1.00 0.00 H new ATOM 0 HE ARG A 42 31.929 18.665 25.038 1.00 0.00 H new ATOM 0 HH11 ARG A 42 34.813 17.333 23.396 1.00 0.00 H new ATOM 0 HH12 ARG A 42 35.541 16.801 24.915 1.00 0.00 H new ATOM 0 HH21 ARG A 42 32.955 17.967 26.981 1.00 0.00 H new ATOM 0 HH22 ARG A 42 34.518 17.151 26.887 1.00 0.00 H new ATOM 680 N LEU A 43 29.397 22.086 21.778 1.00 0.00 N ATOM 681 CA LEU A 43 28.211 22.614 22.419 1.00 0.00 C ATOM 682 C LEU A 43 27.767 21.708 23.577 1.00 0.00 C ATOM 683 O LEU A 43 27.804 20.485 23.478 1.00 0.00 O ATOM 684 CB LEU A 43 27.033 22.603 21.436 1.00 0.00 C ATOM 685 CG LEU A 43 27.204 23.818 20.522 1.00 0.00 C ATOM 686 CD1 LEU A 43 28.389 23.812 19.565 1.00 0.00 C ATOM 687 CD2 LEU A 43 25.970 24.148 19.683 1.00 0.00 C ATOM 0 H LEU A 43 29.185 21.317 21.143 1.00 0.00 H new ATOM 0 HA LEU A 43 28.459 23.618 22.763 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.024 21.681 20.855 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.084 22.652 21.970 1.00 0.00 H new ATOM 0 HG LEU A 43 27.389 24.579 21.280 1.00 0.00 H new ATOM 0 HD11 LEU A 43 28.388 24.731 18.979 1.00 0.00 H new ATOM 0 HD12 LEU A 43 29.316 23.745 20.134 1.00 0.00 H new ATOM 0 HD13 LEU A 43 28.312 22.955 18.896 1.00 0.00 H new ATOM 0 HD21 LEU A 43 26.174 25.021 19.064 1.00 0.00 H new ATOM 0 HD22 LEU A 43 25.727 23.299 19.044 1.00 0.00 H new ATOM 0 HD23 LEU A 43 25.128 24.359 20.342 1.00 0.00 H new ATOM 699 N ILE A 44 27.353 22.307 24.688 1.00 0.00 N ATOM 700 CA ILE A 44 26.679 21.788 25.863 1.00 0.00 C ATOM 701 C ILE A 44 25.348 22.513 26.075 1.00 0.00 C ATOM 702 O ILE A 44 25.237 23.730 25.949 1.00 0.00 O ATOM 703 CB ILE A 44 27.611 21.885 27.071 1.00 0.00 C ATOM 704 CG1 ILE A 44 28.900 21.060 27.018 1.00 0.00 C ATOM 705 CG2 ILE A 44 26.838 21.562 28.345 1.00 0.00 C ATOM 706 CD1 ILE A 44 29.972 21.375 28.063 1.00 0.00 C ATOM 0 H ILE A 44 27.507 23.310 24.794 1.00 0.00 H new ATOM 0 HA ILE A 44 26.438 20.734 25.723 1.00 0.00 H new ATOM 0 HB ILE A 44 27.960 22.918 27.057 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.632 20.008 27.114 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.343 21.187 26.030 1.00 0.00 H new ATOM 0 HG21 ILE A 44 27.506 21.632 29.204 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.019 22.271 28.463 1.00 0.00 H new ATOM 0 HG23 ILE A 44 26.436 20.551 28.280 1.00 0.00 H new ATOM 0 HD11 ILE A 44 30.830 20.720 27.913 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.286 22.414 27.960 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.565 21.216 29.061 1.00 0.00 H new ATOM 718 N PHE A 45 24.295 21.801 26.479 1.00 0.00 N ATOM 719 CA PHE A 45 23.058 22.347 26.993 1.00 0.00 C ATOM 720 C PHE A 45 22.770 21.969 28.450 1.00 0.00 C ATOM 721 O PHE A 45 22.142 22.731 29.171 1.00 0.00 O ATOM 722 CB PHE A 45 21.990 21.707 26.095 1.00 0.00 C ATOM 723 CG PHE A 45 20.630 22.349 26.209 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.547 23.719 25.920 1.00 0.00 C ATOM 725 CD2 PHE A 45 19.497 21.589 26.492 1.00 0.00 C ATOM 726 CE1 PHE A 45 19.324 24.397 25.950 1.00 0.00 C ATOM 727 CE2 PHE A 45 18.246 22.231 26.468 1.00 0.00 C ATOM 728 CZ PHE A 45 18.201 23.603 26.223 1.00 0.00 C ATOM 0 H PHE A 45 24.291 20.781 26.452 1.00 0.00 H new ATOM 0 HA PHE A 45 23.088 23.437 26.982 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.321 21.762 25.058 1.00 0.00 H new ATOM 0 HB3 PHE A 45 21.904 20.650 26.346 1.00 0.00 H new ATOM 0 HD1 PHE A 45 21.446 24.262 25.669 1.00 0.00 H new ATOM 0 HD2 PHE A 45 19.577 20.537 26.723 1.00 0.00 H new ATOM 0 HE1 PHE A 45 19.250 25.460 25.775 1.00 0.00 H new ATOM 0 HE2 PHE A 45 17.337 21.672 26.636 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.236 24.087 26.245 1.00 0.00 H new ATOM 738 N ALA A 46 23.223 20.771 28.827 1.00 0.00 N ATOM 739 CA ALA A 46 23.072 20.370 30.214 1.00 0.00 C ATOM 740 C ALA A 46 24.481 20.255 30.782 1.00 0.00 C ATOM 741 O ALA A 46 25.060 21.328 30.987 1.00 0.00 O ATOM 742 CB ALA A 46 22.302 19.044 30.154 1.00 0.00 C ATOM 0 H ALA A 46 23.678 20.092 28.216 1.00 0.00 H new ATOM 0 HA ALA A 46 22.525 21.058 30.859 1.00 0.00 H new ATOM 0 HB1 ALA A 46 22.144 18.669 31.165 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.338 19.205 29.672 1.00 0.00 H new ATOM 0 HB3 ALA A 46 22.877 18.315 29.582 1.00 0.00 H new ATOM 748 N GLY A 47 25.008 19.066 31.031 1.00 0.00 N ATOM 749 CA GLY A 47 26.423 18.859 31.300 1.00 0.00 C ATOM 750 C GLY A 47 27.203 17.944 30.360 1.00 0.00 C ATOM 751 O GLY A 47 28.378 17.639 30.554 1.00 0.00 O ATOM 0 H GLY A 47 24.458 18.207 31.052 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.910 19.834 31.297 1.00 0.00 H new ATOM 0 HA3 GLY A 47 26.516 18.459 32.310 1.00 0.00 H new ATOM 755 N LYS A 48 26.567 17.427 29.312 1.00 0.00 N ATOM 756 CA LYS A 48 26.954 16.271 28.527 1.00 0.00 C ATOM 757 C LYS A 48 27.322 16.769 27.123 1.00 0.00 C ATOM 758 O LYS A 48 26.723 17.686 26.590 1.00 0.00 O ATOM 759 CB LYS A 48 25.734 15.345 28.477 1.00 0.00 C ATOM 760 CG LYS A 48 25.538 14.613 29.803 1.00 0.00 C ATOM 761 CD LYS A 48 24.502 13.508 29.592 1.00 0.00 C ATOM 762 CE LYS A 48 23.969 12.749 30.809 1.00 0.00 C ATOM 763 NZ LYS A 48 23.271 11.533 30.374 1.00 0.00 N ATOM 0 H LYS A 48 25.701 17.842 28.968 1.00 0.00 H new ATOM 0 HA LYS A 48 27.805 15.736 28.947 1.00 0.00 H new ATOM 0 HB2 LYS A 48 24.842 15.927 28.245 1.00 0.00 H new ATOM 0 HB3 LYS A 48 25.858 14.619 27.673 1.00 0.00 H new ATOM 0 HG2 LYS A 48 26.482 14.189 30.146 1.00 0.00 H new ATOM 0 HG3 LYS A 48 25.202 15.307 30.574 1.00 0.00 H new ATOM 0 HD2 LYS A 48 23.648 13.951 29.080 1.00 0.00 H new ATOM 0 HD3 LYS A 48 24.936 12.775 28.911 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.792 12.488 31.475 1.00 0.00 H new ATOM 0 HE3 LYS A 48 23.290 13.385 31.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 22.912 11.023 31.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.475 11.792 29.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.931 10.922 29.851 1.00 0.00 H new ATOM 777 N GLN A 49 28.220 16.019 26.483 1.00 0.00 N ATOM 778 CA GLN A 49 28.423 16.137 25.046 1.00 0.00 C ATOM 779 C GLN A 49 27.196 15.674 24.263 1.00 0.00 C ATOM 780 O GLN A 49 26.552 14.682 24.598 1.00 0.00 O ATOM 781 CB GLN A 49 29.706 15.351 24.736 1.00 0.00 C ATOM 782 CG GLN A 49 29.651 13.830 24.790 1.00 0.00 C ATOM 783 CD GLN A 49 31.055 13.290 25.021 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.684 13.618 26.032 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.534 12.395 24.165 1.00 0.00 N ATOM 0 H GLN A 49 28.815 15.327 26.939 1.00 0.00 H new ATOM 0 HA GLN A 49 28.547 17.173 24.731 1.00 0.00 H new ATOM 0 HB2 GLN A 49 30.038 15.637 23.738 1.00 0.00 H new ATOM 0 HB3 GLN A 49 30.475 15.681 25.434 1.00 0.00 H new ATOM 0 HG2 GLN A 49 28.987 13.506 25.591 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.244 13.435 23.859 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.995 12.141 23.337 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.441 11.961 24.335 1.00 0.00 H new ATOM 794 N LEU A 50 26.956 16.357 23.154 1.00 0.00 N ATOM 795 CA LEU A 50 25.965 16.074 22.128 1.00 0.00 C ATOM 796 C LEU A 50 26.698 15.341 21.006 1.00 0.00 C ATOM 797 O LEU A 50 27.832 15.696 20.693 1.00 0.00 O ATOM 798 CB LEU A 50 25.314 17.350 21.608 1.00 0.00 C ATOM 799 CG LEU A 50 24.760 18.361 22.597 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.135 19.647 22.031 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.599 17.763 23.393 1.00 0.00 C ATOM 0 H LEU A 50 27.495 17.194 22.931 1.00 0.00 H new ATOM 0 HA LEU A 50 25.157 15.466 22.535 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.051 17.865 20.992 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.497 17.055 20.949 1.00 0.00 H new ATOM 0 HG LEU A 50 25.661 18.609 23.158 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.783 20.272 22.852 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.883 20.192 21.454 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.295 19.390 21.385 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.219 18.505 24.095 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.803 17.468 22.709 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.947 16.889 23.943 1.00 0.00 H new ATOM 813 N GLU A 51 26.006 14.432 20.325 1.00 0.00 N ATOM 814 CA GLU A 51 26.319 13.964 18.983 1.00 0.00 C ATOM 815 C GLU A 51 26.096 15.154 18.038 1.00 0.00 C ATOM 816 O GLU A 51 24.976 15.579 17.813 1.00 0.00 O ATOM 817 CB GLU A 51 25.327 12.830 18.760 1.00 0.00 C ATOM 818 CG GLU A 51 25.290 12.091 17.433 1.00 0.00 C ATOM 819 CD GLU A 51 26.490 11.184 17.177 1.00 0.00 C ATOM 820 OE1 GLU A 51 27.603 11.689 16.943 1.00 0.00 O ATOM 821 OE2 GLU A 51 26.382 9.959 17.419 1.00 0.00 O ATOM 0 H GLU A 51 25.176 13.983 20.713 1.00 0.00 H new ATOM 0 HA GLU A 51 27.337 13.610 18.822 1.00 0.00 H new ATOM 0 HB2 GLU A 51 25.506 12.087 19.537 1.00 0.00 H new ATOM 0 HB3 GLU A 51 24.330 13.236 18.931 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.382 11.490 17.392 1.00 0.00 H new ATOM 0 HG3 GLU A 51 25.225 12.822 16.627 1.00 0.00 H new ATOM 828 N ASP A 52 27.174 15.632 17.424 1.00 0.00 N ATOM 829 CA ASP A 52 27.221 16.791 16.548 1.00 0.00 C ATOM 830 C ASP A 52 26.271 16.884 15.357 1.00 0.00 C ATOM 831 O ASP A 52 25.792 17.981 15.090 1.00 0.00 O ATOM 832 CB ASP A 52 28.628 17.145 16.052 1.00 0.00 C ATOM 833 CG ASP A 52 29.609 17.269 17.217 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.549 18.146 18.110 1.00 0.00 O ATOM 835 OD2 ASP A 52 30.542 16.440 17.182 1.00 0.00 O ATOM 0 H ASP A 52 28.089 15.194 17.533 1.00 0.00 H new ATOM 0 HA ASP A 52 26.843 17.517 17.268 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.976 16.378 15.360 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.596 18.083 15.498 1.00 0.00 H new ATOM 840 N GLY A 53 25.896 15.731 14.795 1.00 0.00 N ATOM 841 CA GLY A 53 25.197 15.648 13.527 1.00 0.00 C ATOM 842 C GLY A 53 23.718 15.401 13.795 1.00 0.00 C ATOM 843 O GLY A 53 23.037 14.905 12.890 1.00 0.00 O ATOM 0 H GLY A 53 26.076 14.822 15.221 1.00 0.00 H new ATOM 0 HA2 GLY A 53 25.329 16.571 12.963 1.00 0.00 H new ATOM 0 HA3 GLY A 53 25.610 14.842 12.921 1.00 0.00 H new ATOM 847 N ARG A 54 23.287 15.684 15.022 1.00 0.00 N ATOM 848 CA ARG A 54 21.885 15.768 15.382 1.00 0.00 C ATOM 849 C ARG A 54 21.407 17.221 15.284 1.00 0.00 C ATOM 850 O ARG A 54 22.220 18.141 15.284 1.00 0.00 O ATOM 851 CB ARG A 54 21.730 15.197 16.793 1.00 0.00 C ATOM 852 CG ARG A 54 22.067 13.731 17.054 1.00 0.00 C ATOM 853 CD ARG A 54 20.882 12.776 16.860 1.00 0.00 C ATOM 854 NE ARG A 54 21.243 11.595 16.083 1.00 0.00 N ATOM 855 CZ ARG A 54 20.484 10.545 15.721 1.00 0.00 C ATOM 856 NH1 ARG A 54 19.219 10.402 16.141 1.00 0.00 N ATOM 857 NH2 ARG A 54 20.990 9.552 14.980 1.00 0.00 N ATOM 0 H ARG A 54 23.918 15.863 15.803 1.00 0.00 H new ATOM 0 HA ARG A 54 21.264 15.189 14.698 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.350 15.798 17.458 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.695 15.353 17.096 1.00 0.00 H new ATOM 0 HG2 ARG A 54 22.876 13.430 16.388 1.00 0.00 H new ATOM 0 HG3 ARG A 54 22.439 13.630 18.074 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.505 12.466 17.835 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.071 13.304 16.358 1.00 0.00 H new ATOM 0 HE ARG A 54 22.213 11.560 15.768 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.803 11.102 16.755 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.672 9.593 15.847 1.00 0.00 H new ATOM 0 HH21 ARG A 54 21.965 9.584 14.681 1.00 0.00 H new ATOM 0 HH22 ARG A 54 20.401 8.763 14.714 1.00 0.00 H new ATOM 871 N THR A 55 20.106 17.457 15.354 1.00 0.00 N ATOM 872 CA THR A 55 19.376 18.704 15.383 1.00 0.00 C ATOM 873 C THR A 55 18.982 19.232 16.761 1.00 0.00 C ATOM 874 O THR A 55 18.901 18.473 17.733 1.00 0.00 O ATOM 875 CB THR A 55 18.119 18.579 14.507 1.00 0.00 C ATOM 876 OG1 THR A 55 17.116 17.880 15.213 1.00 0.00 O ATOM 877 CG2 THR A 55 18.401 17.873 13.186 1.00 0.00 C ATOM 0 H THR A 55 19.458 16.670 15.397 1.00 0.00 H new ATOM 0 HA THR A 55 20.080 19.442 14.998 1.00 0.00 H new ATOM 0 HB THR A 55 17.782 19.589 14.273 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.425 16.970 15.404 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.482 17.810 12.604 1.00 0.00 H new ATOM 0 HG22 THR A 55 19.148 18.435 12.625 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.775 16.868 13.383 1.00 0.00 H new ATOM 885 N LEU A 56 18.549 20.479 16.882 1.00 0.00 N ATOM 886 CA LEU A 56 17.924 21.033 18.076 1.00 0.00 C ATOM 887 C LEU A 56 16.696 20.283 18.584 1.00 0.00 C ATOM 888 O LEU A 56 16.584 20.259 19.805 1.00 0.00 O ATOM 889 CB LEU A 56 17.605 22.496 17.758 1.00 0.00 C ATOM 890 CG LEU A 56 18.829 23.393 17.944 1.00 0.00 C ATOM 891 CD1 LEU A 56 20.161 23.079 17.248 1.00 0.00 C ATOM 892 CD2 LEU A 56 18.327 24.807 17.654 1.00 0.00 C ATOM 0 H LEU A 56 18.626 21.158 16.124 1.00 0.00 H new ATOM 0 HA LEU A 56 18.623 20.932 18.906 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.247 22.576 16.731 1.00 0.00 H new ATOM 0 HB3 LEU A 56 16.798 22.842 18.404 1.00 0.00 H new ATOM 0 HG LEU A 56 19.177 23.215 18.961 1.00 0.00 H new ATOM 0 HD11 LEU A 56 20.897 23.838 17.512 1.00 0.00 H new ATOM 0 HD12 LEU A 56 20.517 22.100 17.569 1.00 0.00 H new ATOM 0 HD13 LEU A 56 20.015 23.076 16.168 1.00 0.00 H new ATOM 0 HD21 LEU A 56 19.148 25.515 17.766 1.00 0.00 H new ATOM 0 HD22 LEU A 56 17.943 24.855 16.635 1.00 0.00 H new ATOM 0 HD23 LEU A 56 17.531 25.061 18.354 1.00 0.00 H new ATOM 904 N SER A 57 15.841 19.785 17.689 1.00 0.00 N ATOM 905 CA SER A 57 14.542 19.195 17.916 1.00 0.00 C ATOM 906 C SER A 57 14.789 17.782 18.468 1.00 0.00 C ATOM 907 O SER A 57 14.033 17.337 19.335 1.00 0.00 O ATOM 908 CB SER A 57 13.856 19.135 16.551 1.00 0.00 C ATOM 909 OG SER A 57 14.303 18.112 15.692 1.00 0.00 O ATOM 0 H SER A 57 16.073 19.790 16.696 1.00 0.00 H new ATOM 0 HA SER A 57 13.922 19.753 18.617 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.784 19.012 16.708 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.997 20.093 16.051 1.00 0.00 H new ATOM 0 HG SER A 57 15.279 18.150 15.618 1.00 0.00 H new ATOM 915 N ASP A 58 15.870 17.099 18.095 1.00 0.00 N ATOM 916 CA ASP A 58 16.255 15.819 18.651 1.00 0.00 C ATOM 917 C ASP A 58 16.437 15.890 20.167 1.00 0.00 C ATOM 918 O ASP A 58 16.110 14.929 20.861 1.00 0.00 O ATOM 919 CB ASP A 58 17.554 15.296 18.022 1.00 0.00 C ATOM 920 CG ASP A 58 17.452 14.815 16.587 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.585 13.973 16.265 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.275 15.323 15.792 1.00 0.00 O ATOM 0 H ASP A 58 16.514 17.436 17.379 1.00 0.00 H new ATOM 0 HA ASP A 58 15.441 15.132 18.420 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.301 16.089 18.066 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.925 14.474 18.634 1.00 0.00 H new ATOM 927 N TYR A 59 16.930 17.002 20.710 1.00 0.00 N ATOM 928 CA TYR A 59 17.327 17.121 22.101 1.00 0.00 C ATOM 929 C TYR A 59 16.382 17.984 22.948 1.00 0.00 C ATOM 930 O TYR A 59 16.588 18.043 24.164 1.00 0.00 O ATOM 931 CB TYR A 59 18.775 17.618 22.132 1.00 0.00 C ATOM 932 CG TYR A 59 19.846 16.587 21.874 1.00 0.00 C ATOM 933 CD1 TYR A 59 19.948 15.375 22.573 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.803 16.825 20.880 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.975 14.470 22.296 1.00 0.00 C ATOM 936 CE2 TYR A 59 21.862 15.937 20.608 1.00 0.00 C ATOM 937 CZ TYR A 59 21.956 14.741 21.334 1.00 0.00 C ATOM 938 OH TYR A 59 22.952 13.858 21.031 1.00 0.00 O ATOM 0 H TYR A 59 17.065 17.862 20.178 1.00 0.00 H new ATOM 0 HA TYR A 59 17.258 16.140 22.572 1.00 0.00 H new ATOM 0 HB2 TYR A 59 18.879 18.411 21.392 1.00 0.00 H new ATOM 0 HB3 TYR A 59 18.961 18.066 23.108 1.00 0.00 H new ATOM 0 HD1 TYR A 59 19.222 15.138 23.336 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.726 17.730 20.296 1.00 0.00 H new ATOM 0 HE1 TYR A 59 21.014 13.537 22.838 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.593 16.174 19.849 1.00 0.00 H new ATOM 0 HH TYR A 59 22.656 13.267 20.308 1.00 0.00 H new ATOM 948 N ASN A 60 15.393 18.549 22.273 1.00 0.00 N ATOM 949 CA ASN A 60 14.349 19.391 22.837 1.00 0.00 C ATOM 950 C ASN A 60 14.903 20.715 23.354 1.00 0.00 C ATOM 951 O ASN A 60 14.763 21.017 24.539 1.00 0.00 O ATOM 952 CB ASN A 60 13.291 18.730 23.721 1.00 0.00 C ATOM 953 CG ASN A 60 11.969 19.433 23.994 1.00 0.00 C ATOM 954 OD1 ASN A 60 11.597 20.451 23.413 1.00 0.00 O ATOM 955 ND2 ASN A 60 11.223 18.842 24.916 1.00 0.00 N ATOM 0 H ASN A 60 15.292 18.426 21.265 1.00 0.00 H new ATOM 0 HA ASN A 60 13.719 19.623 21.979 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.056 17.763 23.275 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.756 18.531 24.687 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.312 19.231 25.161 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.559 17.998 25.380 1.00 0.00 H new ATOM 962 N ILE A 61 15.637 21.493 22.559 1.00 0.00 N ATOM 963 CA ILE A 61 16.049 22.862 22.787 1.00 0.00 C ATOM 964 C ILE A 61 14.818 23.694 22.440 1.00 0.00 C ATOM 965 O ILE A 61 14.298 23.691 21.328 1.00 0.00 O ATOM 966 CB ILE A 61 17.209 23.212 21.852 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.354 22.203 21.858 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.697 24.642 22.091 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.221 22.236 23.114 1.00 0.00 C ATOM 0 H ILE A 61 15.984 21.144 21.665 1.00 0.00 H new ATOM 0 HA ILE A 61 16.391 23.038 23.807 1.00 0.00 H new ATOM 0 HB ILE A 61 16.802 23.153 20.843 1.00 0.00 H new ATOM 0 HG12 ILE A 61 17.939 21.201 21.744 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.987 22.386 20.990 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.521 24.863 21.413 1.00 0.00 H new ATOM 0 HG22 ILE A 61 16.880 25.340 21.909 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.038 24.743 23.121 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.009 21.487 23.032 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.669 23.224 23.221 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.605 22.021 23.987 1.00 0.00 H new ATOM 981 N GLN A 62 14.350 24.334 23.504 1.00 0.00 N ATOM 982 CA GLN A 62 13.258 25.271 23.669 1.00 0.00 C ATOM 983 C GLN A 62 13.739 26.715 23.550 1.00 0.00 C ATOM 984 O GLN A 62 14.886 27.071 23.807 1.00 0.00 O ATOM 985 CB GLN A 62 12.658 25.032 25.053 1.00 0.00 C ATOM 986 CG GLN A 62 11.810 23.759 25.053 1.00 0.00 C ATOM 987 CD GLN A 62 10.560 23.819 24.183 1.00 0.00 C ATOM 988 OE1 GLN A 62 10.004 24.893 23.950 1.00 0.00 O ATOM 989 NE2 GLN A 62 10.160 22.688 23.608 1.00 0.00 N ATOM 0 H GLN A 62 14.803 24.178 24.405 1.00 0.00 H new ATOM 0 HA GLN A 62 12.516 25.115 22.886 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.455 24.946 25.792 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.045 25.885 25.343 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.429 22.928 24.716 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.511 23.539 26.078 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.638 21.812 23.819 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.375 22.697 22.957 1.00 0.00 H new ATOM 998 N LYS A 63 12.831 27.621 23.212 1.00 0.00 N ATOM 999 CA LYS A 63 13.196 29.018 23.013 1.00 0.00 C ATOM 1000 C LYS A 63 13.625 29.682 24.317 1.00 0.00 C ATOM 1001 O LYS A 63 13.193 29.284 25.402 1.00 0.00 O ATOM 1002 CB LYS A 63 12.158 29.782 22.195 1.00 0.00 C ATOM 1003 CG LYS A 63 10.764 29.798 22.829 1.00 0.00 C ATOM 1004 CD LYS A 63 9.901 30.991 22.411 1.00 0.00 C ATOM 1005 CE LYS A 63 8.723 30.999 23.381 1.00 0.00 C ATOM 1006 NZ LYS A 63 7.830 32.083 22.956 1.00 0.00 N ATOM 0 H LYS A 63 11.842 27.416 23.070 1.00 0.00 H new ATOM 0 HA LYS A 63 14.088 29.049 22.387 1.00 0.00 H new ATOM 0 HB2 LYS A 63 12.498 30.809 22.061 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.091 29.336 21.203 1.00 0.00 H new ATOM 0 HG2 LYS A 63 10.245 28.877 22.563 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.870 29.802 23.914 1.00 0.00 H new ATOM 0 HD2 LYS A 63 10.464 31.923 22.469 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.561 30.888 21.381 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.203 30.041 23.365 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.065 31.159 24.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 7.009 32.126 23.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.342 32.988 22.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.506 31.905 21.984 1.00 0.00 H new ATOM 1020 N GLU A 64 14.527 30.648 24.250 1.00 0.00 N ATOM 1021 CA GLU A 64 14.960 31.502 25.344 1.00 0.00 C ATOM 1022 C GLU A 64 15.998 30.836 26.257 1.00 0.00 C ATOM 1023 O GLU A 64 16.330 31.519 27.218 1.00 0.00 O ATOM 1024 CB GLU A 64 13.817 32.282 25.997 1.00 0.00 C ATOM 1025 CG GLU A 64 13.179 33.276 25.029 1.00 0.00 C ATOM 1026 CD GLU A 64 11.757 33.639 25.440 1.00 0.00 C ATOM 1027 OE1 GLU A 64 11.637 34.524 26.324 1.00 0.00 O ATOM 1028 OE2 GLU A 64 10.781 32.983 25.023 1.00 0.00 O ATOM 0 H GLU A 64 15.005 30.870 23.377 1.00 0.00 H new ATOM 0 HA GLU A 64 15.546 32.316 24.916 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.059 31.585 26.353 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.194 32.816 26.869 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.786 34.180 24.985 1.00 0.00 H new ATOM 0 HG3 GLU A 64 13.169 32.850 24.026 1.00 0.00 H new ATOM 1035 N SER A 65 16.310 29.577 25.952 1.00 0.00 N ATOM 1036 CA SER A 65 17.237 28.856 26.801 1.00 0.00 C ATOM 1037 C SER A 65 18.656 29.437 26.752 1.00 0.00 C ATOM 1038 O SER A 65 19.008 30.066 25.753 1.00 0.00 O ATOM 1039 CB SER A 65 17.309 27.424 26.277 1.00 0.00 C ATOM 1040 OG SER A 65 16.086 26.750 26.503 1.00 0.00 O ATOM 0 H SER A 65 15.947 29.057 25.153 1.00 0.00 H new ATOM 0 HA SER A 65 16.881 28.922 27.829 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.535 27.432 25.211 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.121 26.891 26.771 1.00 0.00 H new ATOM 0 HG SER A 65 15.548 26.765 25.684 1.00 0.00 H new ATOM 1046 N THR A 66 19.511 29.180 27.735 1.00 0.00 N ATOM 1047 CA THR A 66 20.896 29.606 27.709 1.00 0.00 C ATOM 1048 C THR A 66 21.683 28.329 27.373 1.00 0.00 C ATOM 1049 O THR A 66 21.644 27.325 28.080 1.00 0.00 O ATOM 1050 CB THR A 66 21.370 30.234 29.024 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.447 31.278 29.251 1.00 0.00 O ATOM 1052 CG2 THR A 66 22.748 30.863 28.856 1.00 0.00 C ATOM 0 H THR A 66 19.255 28.665 28.578 1.00 0.00 H new ATOM 0 HA THR A 66 21.045 30.401 26.978 1.00 0.00 H new ATOM 0 HB THR A 66 21.428 29.497 29.825 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.675 31.741 30.084 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.065 31.303 29.802 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.463 30.098 28.554 1.00 0.00 H new ATOM 0 HG23 THR A 66 22.703 31.639 28.092 1.00 0.00 H new ATOM 1060 N LEU A 67 22.450 28.295 26.293 1.00 0.00 N ATOM 1061 CA LEU A 67 23.225 27.140 25.873 1.00 0.00 C ATOM 1062 C LEU A 67 24.692 27.501 26.089 1.00 0.00 C ATOM 1063 O LEU A 67 25.169 28.630 26.047 1.00 0.00 O ATOM 1064 CB LEU A 67 22.959 26.883 24.393 1.00 0.00 C ATOM 1065 CG LEU A 67 23.254 25.462 23.903 1.00 0.00 C ATOM 1066 CD1 LEU A 67 22.247 24.974 22.863 1.00 0.00 C ATOM 1067 CD2 LEU A 67 24.652 25.373 23.265 1.00 0.00 C ATOM 0 H LEU A 67 22.552 29.094 25.668 1.00 0.00 H new ATOM 0 HA LEU A 67 22.962 26.243 26.434 1.00 0.00 H new ATOM 0 HB2 LEU A 67 21.913 27.109 24.186 1.00 0.00 H new ATOM 0 HB3 LEU A 67 23.558 27.581 23.808 1.00 0.00 H new ATOM 0 HG LEU A 67 23.189 24.832 24.790 1.00 0.00 H new ATOM 0 HD11 LEU A 67 22.506 23.962 22.553 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.247 24.976 23.296 1.00 0.00 H new ATOM 0 HD13 LEU A 67 22.269 25.636 21.997 1.00 0.00 H new ATOM 0 HD21 LEU A 67 24.833 24.353 22.927 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.708 26.053 22.415 1.00 0.00 H new ATOM 0 HD23 LEU A 67 25.406 25.650 24.001 1.00 0.00 H new ATOM 1079 N HIS A 68 25.553 26.496 26.284 1.00 0.00 N ATOM 1080 CA HIS A 68 26.917 26.648 26.749 1.00 0.00 C ATOM 1081 C HIS A 68 27.898 26.077 25.722 1.00 0.00 C ATOM 1082 O HIS A 68 27.780 24.909 25.371 1.00 0.00 O ATOM 1083 CB HIS A 68 27.149 26.076 28.141 1.00 0.00 C ATOM 1084 CG HIS A 68 26.432 26.765 29.267 1.00 0.00 C ATOM 1085 ND1 HIS A 68 26.838 27.953 29.874 1.00 0.00 N ATOM 1086 CD2 HIS A 68 25.225 26.353 29.783 1.00 0.00 C ATOM 1087 CE1 HIS A 68 25.775 28.290 30.595 1.00 0.00 C ATOM 1088 NE2 HIS A 68 24.745 27.431 30.504 1.00 0.00 N ATOM 0 H HIS A 68 25.300 25.523 26.113 1.00 0.00 H new ATOM 0 HA HIS A 68 27.103 27.718 26.846 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.851 25.028 28.135 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.219 26.102 28.349 1.00 0.00 H new ATOM 0 HD2 HIS A 68 24.752 25.391 29.653 1.00 0.00 H new ATOM 0 HE1 HIS A 68 25.741 29.181 31.204 1.00 0.00 H new ATOM 0 HE2 HIS A 68 23.807 27.549 30.886 1.00 0.00 H new ATOM 1096 N LEU A 69 28.804 26.893 25.186 1.00 0.00 N ATOM 1097 CA LEU A 69 29.832 26.560 24.219 1.00 0.00 C ATOM 1098 C LEU A 69 31.172 26.336 24.928 1.00 0.00 C ATOM 1099 O LEU A 69 31.472 27.036 25.896 1.00 0.00 O ATOM 1100 CB LEU A 69 29.889 27.717 23.217 1.00 0.00 C ATOM 1101 CG LEU A 69 30.675 27.411 21.934 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.043 26.449 20.930 1.00 0.00 C ATOM 1103 CD2 LEU A 69 31.092 28.787 21.414 1.00 0.00 C ATOM 0 H LEU A 69 28.835 27.880 25.441 1.00 0.00 H new ATOM 0 HA LEU A 69 29.608 25.632 23.693 1.00 0.00 H new ATOM 0 HB2 LEU A 69 28.871 27.997 22.946 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.338 28.582 23.705 1.00 0.00 H new ATOM 0 HG LEU A 69 31.543 26.787 22.149 1.00 0.00 H new ATOM 0 HD11 LEU A 69 30.708 26.327 20.075 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.881 25.481 21.405 1.00 0.00 H new ATOM 0 HD13 LEU A 69 29.088 26.851 20.592 1.00 0.00 H new ATOM 0 HD21 LEU A 69 31.663 28.670 20.493 1.00 0.00 H new ATOM 0 HD22 LEU A 69 30.203 29.386 21.216 1.00 0.00 H new ATOM 0 HD23 LEU A 69 31.708 29.287 22.162 1.00 0.00 H new ATOM 1115 N VAL A 70 31.903 25.355 24.404 1.00 0.00 N ATOM 1116 CA VAL A 70 33.237 24.901 24.776 1.00 0.00 C ATOM 1117 C VAL A 70 34.154 24.943 23.555 1.00 0.00 C ATOM 1118 O VAL A 70 33.643 25.021 22.439 1.00 0.00 O ATOM 1119 CB VAL A 70 33.237 23.470 25.298 1.00 0.00 C ATOM 1120 CG1 VAL A 70 34.628 22.934 25.663 1.00 0.00 C ATOM 1121 CG2 VAL A 70 32.364 23.446 26.551 1.00 0.00 C ATOM 0 H VAL A 70 31.536 24.803 23.629 1.00 0.00 H new ATOM 0 HA VAL A 70 33.586 25.567 25.565 1.00 0.00 H new ATOM 0 HB VAL A 70 32.863 22.829 24.500 1.00 0.00 H new ATOM 0 HG11 VAL A 70 34.540 21.910 26.026 1.00 0.00 H new ATOM 0 HG12 VAL A 70 35.268 22.953 24.781 1.00 0.00 H new ATOM 0 HG13 VAL A 70 35.066 23.558 26.442 1.00 0.00 H new ATOM 0 HG21 VAL A 70 32.338 22.435 26.957 1.00 0.00 H new ATOM 0 HG22 VAL A 70 32.778 24.126 27.296 1.00 0.00 H new ATOM 0 HG23 VAL A 70 31.352 23.761 26.296 1.00 0.00 H new ATOM 1131 N LEU A 71 35.466 24.902 23.735 1.00 0.00 N ATOM 1132 CA LEU A 71 36.403 24.888 22.628 1.00 0.00 C ATOM 1133 C LEU A 71 37.700 24.196 23.072 1.00 0.00 C ATOM 1134 O LEU A 71 37.939 23.935 24.250 1.00 0.00 O ATOM 1135 CB LEU A 71 36.703 26.273 22.048 1.00 0.00 C ATOM 1136 CG LEU A 71 37.498 27.291 22.866 1.00 0.00 C ATOM 1137 CD1 LEU A 71 37.890 28.531 22.058 1.00 0.00 C ATOM 1138 CD2 LEU A 71 36.680 27.764 24.071 1.00 0.00 C ATOM 0 H LEU A 71 35.908 24.878 24.654 1.00 0.00 H new ATOM 0 HA LEU A 71 35.929 24.331 21.819 1.00 0.00 H new ATOM 0 HB2 LEU A 71 37.238 26.122 21.110 1.00 0.00 H new ATOM 0 HB3 LEU A 71 35.747 26.734 21.799 1.00 0.00 H new ATOM 0 HG LEU A 71 38.406 26.776 23.180 1.00 0.00 H new ATOM 0 HD11 LEU A 71 38.452 29.216 22.693 1.00 0.00 H new ATOM 0 HD12 LEU A 71 38.507 28.233 21.210 1.00 0.00 H new ATOM 0 HD13 LEU A 71 36.990 29.028 21.695 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.260 28.488 24.643 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.758 28.230 23.724 1.00 0.00 H new ATOM 0 HD23 LEU A 71 36.439 26.911 24.705 1.00 0.00 H new