USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (4 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLU C :(H bumps) USER MOD Set 1.1: A 60 ASN : amide:sc= -0.038 K(o=-0.23,f=-2.9!) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.19 K(o=-0.23,f=-1.1) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.211 USER MOD Set 2.2: A 25 ASN : amide:sc= -0.198 K(o=0.013,f=-1.3!) USER MOD Set 3.1: A 7 THR OG1 : rot -165:sc= 0.531 USER MOD Set 3.2: A 9 THR OG1 : rot -10:sc= 0.0851 USER MOD Set 3.3: A 11 LYS NZ :NH3+ 166:sc= -0.987 (180deg=-1.16) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0121 (180deg=-0.334) USER MOD Single : A 1 MET N :NH3+ 162:sc= 0.368 (180deg=-0.564) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -90:sc= 1.35 USER MOD Single : A 20 SER OG : rot -37:sc= 0.389 USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= -0.328 (180deg=-0.994) USER MOD Single : A 29 LYS NZ :NH3+ -163:sc= -0.0403 (180deg=-0.56) USER MOD Single : A 31 GLN : amide:sc= -1.03 X(o=-1,f=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ -143:sc= -0.0645 (180deg=-0.532) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 41 GLN : amide:sc= -6.14! C(o=-6.1!,f=-9.6!) USER MOD Single : A 48 LYS NZ :NH3+ 158:sc= -0.162 (180deg=-0.936) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 55 THR OG1 : rot 33:sc= 0.799 USER MOD Single : A 57 SER OG : rot 54:sc= 0.11 USER MOD Single : A 59 TYR OH : rot 180:sc= -0.301 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00267 X(o=-0.0027,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.766 31.091 2.472 1.00 0.00 N ATOM 2 CA MET A 1 32.533 32.254 3.372 1.00 0.00 C ATOM 3 C MET A 1 33.346 32.074 4.650 1.00 0.00 C ATOM 4 O MET A 1 33.477 30.963 5.165 1.00 0.00 O ATOM 5 CB MET A 1 31.042 32.349 3.711 1.00 0.00 C ATOM 6 CG MET A 1 30.493 30.960 4.049 1.00 0.00 C ATOM 7 SD MET A 1 28.720 31.076 4.400 1.00 0.00 S ATOM 8 CE MET A 1 28.841 31.523 6.152 1.00 0.00 C ATOM 0 H1 MET A 1 32.010 31.046 1.760 1.00 0.00 H new ATOM 0 H2 MET A 1 33.684 31.199 1.996 1.00 0.00 H new ATOM 0 H3 MET A 1 32.767 30.214 3.031 1.00 0.00 H new ATOM 0 HA MET A 1 32.844 33.172 2.873 1.00 0.00 H new ATOM 0 HB2 MET A 1 30.895 33.023 4.555 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.495 32.770 2.868 1.00 0.00 H new ATOM 0 HG2 MET A 1 30.665 30.277 3.217 1.00 0.00 H new ATOM 0 HG3 MET A 1 31.019 30.550 4.911 1.00 0.00 H new ATOM 0 HE1 MET A 1 27.876 31.368 6.634 1.00 0.00 H new ATOM 0 HE2 MET A 1 29.593 30.899 6.636 1.00 0.00 H new ATOM 0 HE3 MET A 1 29.127 32.571 6.241 1.00 0.00 H new ATOM 20 N GLN A 2 33.893 33.177 5.161 1.00 0.00 N ATOM 21 CA GLN A 2 34.694 33.143 6.381 1.00 0.00 C ATOM 22 C GLN A 2 33.976 33.868 7.514 1.00 0.00 C ATOM 23 O GLN A 2 33.318 34.885 7.298 1.00 0.00 O ATOM 24 CB GLN A 2 36.041 33.823 6.129 1.00 0.00 C ATOM 25 CG GLN A 2 36.829 33.038 5.079 1.00 0.00 C ATOM 26 CD GLN A 2 38.214 33.652 4.899 1.00 0.00 C ATOM 27 OE1 GLN A 2 39.090 33.468 5.744 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.465 34.377 3.843 1.00 0.00 N ATOM 0 H GLN A 2 33.795 34.104 4.748 1.00 0.00 H new ATOM 0 HA GLN A 2 34.848 32.102 6.665 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.884 34.847 5.789 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.610 33.879 7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.921 31.996 5.386 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.293 33.045 4.130 1.00 0.00 H new ATOM 0 HE21 GLN A 2 37.738 34.528 3.144 1.00 0.00 H new ATOM 0 HE22 GLN A 2 39.388 34.792 3.717 1.00 0.00 H new ATOM 37 N ILE A 3 34.120 33.340 8.728 1.00 0.00 N ATOM 38 CA ILE A 3 33.498 33.951 9.906 1.00 0.00 C ATOM 39 C ILE A 3 34.490 33.982 11.055 1.00 0.00 C ATOM 40 O ILE A 3 35.512 33.297 11.028 1.00 0.00 O ATOM 41 CB ILE A 3 32.225 33.195 10.340 1.00 0.00 C ATOM 42 CG1 ILE A 3 32.443 31.668 10.231 1.00 0.00 C ATOM 43 CG2 ILE A 3 31.035 33.634 9.467 1.00 0.00 C ATOM 44 CD1 ILE A 3 32.069 31.168 8.833 1.00 0.00 C ATOM 0 H ILE A 3 34.658 32.496 8.924 1.00 0.00 H new ATOM 0 HA ILE A 3 33.208 34.967 9.638 1.00 0.00 H new ATOM 0 HB ILE A 3 32.006 33.436 11.380 1.00 0.00 H new ATOM 0 HG12 ILE A 3 33.485 31.428 10.442 1.00 0.00 H new ATOM 0 HG13 ILE A 3 31.840 31.155 10.980 1.00 0.00 H new ATOM 0 HG21 ILE A 3 30.139 33.097 9.777 1.00 0.00 H new ATOM 0 HG22 ILE A 3 30.875 34.706 9.583 1.00 0.00 H new ATOM 0 HG23 ILE A 3 31.248 33.410 8.422 1.00 0.00 H new ATOM 0 HD11 ILE A 3 32.229 30.091 8.777 1.00 0.00 H new ATOM 0 HD12 ILE A 3 31.020 31.389 8.636 1.00 0.00 H new ATOM 0 HD13 ILE A 3 32.691 31.667 8.090 1.00 0.00 H new ATOM 56 N PHE A 4 34.176 34.788 12.061 1.00 0.00 N ATOM 57 CA PHE A 4 35.037 34.927 13.233 1.00 0.00 C ATOM 58 C PHE A 4 34.389 34.282 14.449 1.00 0.00 C ATOM 59 O PHE A 4 33.182 34.401 14.657 1.00 0.00 O ATOM 60 CB PHE A 4 35.278 36.407 13.521 1.00 0.00 C ATOM 61 CG PHE A 4 35.899 37.069 12.314 1.00 0.00 C ATOM 62 CD1 PHE A 4 35.089 37.489 11.251 1.00 0.00 C ATOM 63 CD2 PHE A 4 37.283 37.272 12.261 1.00 0.00 C ATOM 64 CE1 PHE A 4 35.663 38.113 10.137 1.00 0.00 C ATOM 65 CE2 PHE A 4 37.857 37.894 11.146 1.00 0.00 C ATOM 66 CZ PHE A 4 37.047 38.315 10.085 1.00 0.00 C ATOM 0 H PHE A 4 33.330 35.357 12.091 1.00 0.00 H new ATOM 0 HA PHE A 4 35.985 34.429 13.028 1.00 0.00 H new ATOM 0 HB2 PHE A 4 34.337 36.896 13.771 1.00 0.00 H new ATOM 0 HB3 PHE A 4 35.934 36.517 14.385 1.00 0.00 H new ATOM 0 HD1 PHE A 4 34.021 37.331 11.291 1.00 0.00 H new ATOM 0 HD2 PHE A 4 37.908 36.949 13.080 1.00 0.00 H new ATOM 0 HE1 PHE A 4 35.038 38.438 9.318 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.925 38.049 11.104 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.490 38.796 9.226 1.00 0.00 H new ATOM 76 N VAL A 5 35.200 33.608 15.262 1.00 0.00 N ATOM 77 CA VAL A 5 34.708 32.957 16.474 1.00 0.00 C ATOM 78 C VAL A 5 35.359 33.597 17.688 1.00 0.00 C ATOM 79 O VAL A 5 36.579 33.751 17.751 1.00 0.00 O ATOM 80 CB VAL A 5 35.020 31.454 16.428 1.00 0.00 C ATOM 81 CG1 VAL A 5 34.871 30.843 17.830 1.00 0.00 C ATOM 82 CG2 VAL A 5 34.031 30.771 15.478 1.00 0.00 C ATOM 0 H VAL A 5 36.202 33.498 15.103 1.00 0.00 H new ATOM 0 HA VAL A 5 33.627 33.082 16.541 1.00 0.00 H new ATOM 0 HB VAL A 5 36.042 31.308 16.080 1.00 0.00 H new ATOM 0 HG11 VAL A 5 35.094 29.777 17.788 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.563 31.332 18.515 1.00 0.00 H new ATOM 0 HG13 VAL A 5 33.850 30.986 18.183 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.244 29.703 15.438 1.00 0.00 H new ATOM 0 HG22 VAL A 5 33.014 30.925 15.839 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.131 31.198 14.480 1.00 0.00 H new ATOM 92 N LYS A 6 34.523 33.977 18.640 1.00 0.00 N ATOM 93 CA LYS A 6 34.987 34.624 19.860 1.00 0.00 C ATOM 94 C LYS A 6 34.775 33.717 21.068 1.00 0.00 C ATOM 95 O LYS A 6 33.699 33.143 21.238 1.00 0.00 O ATOM 96 CB LYS A 6 34.196 35.920 20.052 1.00 0.00 C ATOM 97 CG LYS A 6 34.927 36.844 21.025 1.00 0.00 C ATOM 98 CD LYS A 6 33.940 37.872 21.583 1.00 0.00 C ATOM 99 CE LYS A 6 33.256 38.608 20.427 1.00 0.00 C ATOM 100 NZ LYS A 6 32.553 39.810 20.955 1.00 0.00 N ATOM 0 H LYS A 6 33.512 33.848 18.592 1.00 0.00 H new ATOM 0 HA LYS A 6 36.053 34.834 19.773 1.00 0.00 H new ATOM 0 HB2 LYS A 6 34.065 36.420 19.093 1.00 0.00 H new ATOM 0 HB3 LYS A 6 33.200 35.694 20.432 1.00 0.00 H new ATOM 0 HG2 LYS A 6 35.364 36.263 21.838 1.00 0.00 H new ATOM 0 HG3 LYS A 6 35.748 37.350 20.517 1.00 0.00 H new ATOM 0 HD2 LYS A 6 33.194 37.375 22.203 1.00 0.00 H new ATOM 0 HD3 LYS A 6 34.463 38.584 22.222 1.00 0.00 H new ATOM 0 HE2 LYS A 6 33.994 38.903 19.681 1.00 0.00 H new ATOM 0 HE3 LYS A 6 32.546 37.947 19.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 32.088 40.312 20.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 31.839 39.516 21.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 33.241 40.442 21.411 1.00 0.00 H new ATOM 114 N THR A 7 35.802 33.593 21.914 1.00 0.00 N ATOM 115 CA THR A 7 35.706 32.755 23.114 1.00 0.00 C ATOM 116 C THR A 7 35.673 33.625 24.367 1.00 0.00 C ATOM 117 O THR A 7 35.661 34.854 24.286 1.00 0.00 O ATOM 118 CB THR A 7 36.903 31.801 23.194 1.00 0.00 C ATOM 119 OG1 THR A 7 38.045 32.512 23.654 1.00 0.00 O ATOM 120 CG2 THR A 7 37.189 31.210 21.813 1.00 0.00 C ATOM 0 H THR A 7 36.702 34.057 21.793 1.00 0.00 H new ATOM 0 HA THR A 7 34.785 32.175 23.052 1.00 0.00 H new ATOM 0 HB THR A 7 36.673 30.993 23.888 1.00 0.00 H new ATOM 0 HG1 THR A 7 38.851 31.982 23.483 1.00 0.00 H new ATOM 0 HG21 THR A 7 38.041 30.533 21.876 1.00 0.00 H new ATOM 0 HG22 THR A 7 36.314 30.661 21.464 1.00 0.00 H new ATOM 0 HG23 THR A 7 37.416 32.014 21.113 1.00 0.00 H new ATOM 128 N LEU A 8 35.663 32.987 25.530 1.00 0.00 N ATOM 129 CA LEU A 8 35.632 33.726 26.785 1.00 0.00 C ATOM 130 C LEU A 8 36.954 34.458 27.018 1.00 0.00 C ATOM 131 O LEU A 8 36.971 35.558 27.571 1.00 0.00 O ATOM 132 CB LEU A 8 35.340 32.771 27.956 1.00 0.00 C ATOM 133 CG LEU A 8 35.383 33.537 29.289 1.00 0.00 C ATOM 134 CD1 LEU A 8 34.384 34.702 29.254 1.00 0.00 C ATOM 135 CD2 LEU A 8 35.023 32.588 30.440 1.00 0.00 C ATOM 0 H LEU A 8 35.676 31.972 25.631 1.00 0.00 H new ATOM 0 HA LEU A 8 34.836 34.468 26.726 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.361 32.311 27.824 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.073 31.964 27.968 1.00 0.00 H new ATOM 0 HG LEU A 8 36.388 33.930 29.442 1.00 0.00 H new ATOM 0 HD11 LEU A 8 34.420 35.240 30.201 1.00 0.00 H new ATOM 0 HD12 LEU A 8 34.644 35.380 28.441 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.378 34.314 29.095 1.00 0.00 H new ATOM 0 HD21 LEU A 8 35.054 33.133 31.384 1.00 0.00 H new ATOM 0 HD22 LEU A 8 34.020 32.190 30.283 1.00 0.00 H new ATOM 0 HD23 LEU A 8 35.739 31.766 30.472 1.00 0.00 H new ATOM 147 N THR A 9 38.058 33.844 26.606 1.00 0.00 N ATOM 148 CA THR A 9 39.368 34.461 26.794 1.00 0.00 C ATOM 149 C THR A 9 39.555 35.640 25.842 1.00 0.00 C ATOM 150 O THR A 9 40.650 36.194 25.740 1.00 0.00 O ATOM 151 CB THR A 9 40.481 33.435 26.562 1.00 0.00 C ATOM 152 OG1 THR A 9 40.281 32.793 25.311 1.00 0.00 O ATOM 153 CG2 THR A 9 40.462 32.394 27.682 1.00 0.00 C ATOM 0 H THR A 9 38.075 32.934 26.146 1.00 0.00 H new ATOM 0 HA THR A 9 39.422 34.825 27.820 1.00 0.00 H new ATOM 0 HB THR A 9 41.446 33.942 26.559 1.00 0.00 H new ATOM 0 HG1 THR A 9 39.401 33.036 24.956 1.00 0.00 H new ATOM 0 HG21 THR A 9 41.255 31.665 27.515 1.00 0.00 H new ATOM 0 HG22 THR A 9 40.620 32.888 28.641 1.00 0.00 H new ATOM 0 HG23 THR A 9 39.498 31.886 27.690 1.00 0.00 H new ATOM 161 N GLY A 10 38.481 36.034 25.157 1.00 0.00 N ATOM 162 CA GLY A 10 38.555 37.161 24.236 1.00 0.00 C ATOM 163 C GLY A 10 39.431 36.832 23.036 1.00 0.00 C ATOM 164 O GLY A 10 40.037 37.720 22.436 1.00 0.00 O ATOM 0 H GLY A 10 37.563 35.595 25.223 1.00 0.00 H new ATOM 0 HA2 GLY A 10 37.553 37.424 23.897 1.00 0.00 H new ATOM 0 HA3 GLY A 10 38.955 38.032 24.754 1.00 0.00 H new ATOM 168 N LYS A 11 39.488 35.552 22.680 1.00 0.00 N ATOM 169 CA LYS A 11 40.284 35.118 21.536 1.00 0.00 C ATOM 170 C LYS A 11 39.432 35.164 20.276 1.00 0.00 C ATOM 171 O LYS A 11 38.305 34.674 20.270 1.00 0.00 O ATOM 172 CB LYS A 11 40.791 33.688 21.753 1.00 0.00 C ATOM 173 CG LYS A 11 41.908 33.680 22.803 1.00 0.00 C ATOM 174 CD LYS A 11 42.419 32.248 22.992 1.00 0.00 C ATOM 175 CE LYS A 11 43.640 32.253 23.916 1.00 0.00 C ATOM 176 NZ LYS A 11 43.251 32.790 25.250 1.00 0.00 N ATOM 0 H LYS A 11 38.996 34.801 23.164 1.00 0.00 H new ATOM 0 HA LYS A 11 41.139 35.786 21.429 1.00 0.00 H new ATOM 0 HB2 LYS A 11 39.971 33.048 22.078 1.00 0.00 H new ATOM 0 HB3 LYS A 11 41.161 33.278 20.813 1.00 0.00 H new ATOM 0 HG2 LYS A 11 42.724 34.330 22.487 1.00 0.00 H new ATOM 0 HG3 LYS A 11 41.536 34.073 23.749 1.00 0.00 H new ATOM 0 HD2 LYS A 11 41.632 31.624 23.416 1.00 0.00 H new ATOM 0 HD3 LYS A 11 42.683 31.816 22.027 1.00 0.00 H new ATOM 0 HE2 LYS A 11 44.035 31.242 24.020 1.00 0.00 H new ATOM 0 HE3 LYS A 11 44.434 32.862 23.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 43.999 32.578 25.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 43.121 33.820 25.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 42.361 32.348 25.556 1.00 0.00 H new ATOM 190 N THR A 12 39.978 35.741 19.206 1.00 0.00 N ATOM 191 CA THR A 12 39.261 35.832 17.933 1.00 0.00 C ATOM 192 C THR A 12 40.004 35.038 16.875 1.00 0.00 C ATOM 193 O THR A 12 41.190 35.260 16.629 1.00 0.00 O ATOM 194 CB THR A 12 39.144 37.291 17.486 1.00 0.00 C ATOM 195 OG1 THR A 12 38.402 38.022 18.454 1.00 0.00 O ATOM 196 CG2 THR A 12 38.422 37.350 16.134 1.00 0.00 C ATOM 0 H THR A 12 40.912 36.152 19.194 1.00 0.00 H new ATOM 0 HA THR A 12 38.259 35.424 18.066 1.00 0.00 H new ATOM 0 HB THR A 12 40.138 37.726 17.387 1.00 0.00 H new ATOM 0 HG1 THR A 12 38.327 38.957 18.171 1.00 0.00 H new ATOM 0 HG21 THR A 12 38.337 38.388 15.812 1.00 0.00 H new ATOM 0 HG22 THR A 12 38.989 36.786 15.394 1.00 0.00 H new ATOM 0 HG23 THR A 12 37.426 36.918 16.234 1.00 0.00 H new ATOM 204 N ILE A 13 39.294 34.113 16.248 1.00 0.00 N ATOM 205 CA ILE A 13 39.880 33.275 15.206 1.00 0.00 C ATOM 206 C ILE A 13 38.945 33.185 14.015 1.00 0.00 C ATOM 207 O ILE A 13 37.725 33.154 14.169 1.00 0.00 O ATOM 208 CB ILE A 13 40.162 31.877 15.753 1.00 0.00 C ATOM 209 CG1 ILE A 13 40.877 31.049 14.684 1.00 0.00 C ATOM 210 CG2 ILE A 13 38.847 31.196 16.131 1.00 0.00 C ATOM 211 CD1 ILE A 13 41.354 29.729 15.293 1.00 0.00 C ATOM 0 H ILE A 13 38.311 33.921 16.440 1.00 0.00 H new ATOM 0 HA ILE A 13 40.818 33.726 14.883 1.00 0.00 H new ATOM 0 HB ILE A 13 40.793 31.955 16.638 1.00 0.00 H new ATOM 0 HG12 ILE A 13 40.203 30.854 13.849 1.00 0.00 H new ATOM 0 HG13 ILE A 13 41.725 31.605 14.286 1.00 0.00 H new ATOM 0 HG21 ILE A 13 39.052 30.199 16.521 1.00 0.00 H new ATOM 0 HG22 ILE A 13 38.338 31.786 16.893 1.00 0.00 H new ATOM 0 HG23 ILE A 13 38.212 31.117 15.249 1.00 0.00 H new ATOM 0 HD11 ILE A 13 41.863 29.140 14.531 1.00 0.00 H new ATOM 0 HD12 ILE A 13 42.042 29.934 16.113 1.00 0.00 H new ATOM 0 HD13 ILE A 13 40.497 29.171 15.670 1.00 0.00 H new ATOM 223 N THR A 14 39.527 33.150 12.823 1.00 0.00 N ATOM 224 CA THR A 14 38.736 33.065 11.599 1.00 0.00 C ATOM 225 C THR A 14 38.740 31.641 11.061 1.00 0.00 C ATOM 226 O THR A 14 39.754 30.942 11.112 1.00 0.00 O ATOM 227 CB THR A 14 39.288 34.027 10.547 1.00 0.00 C ATOM 228 OG1 THR A 14 39.503 35.297 11.146 1.00 0.00 O ATOM 229 CG2 THR A 14 38.273 34.167 9.406 1.00 0.00 C ATOM 0 H THR A 14 40.536 33.179 12.676 1.00 0.00 H new ATOM 0 HA THR A 14 37.708 33.346 11.830 1.00 0.00 H new ATOM 0 HB THR A 14 40.229 33.643 10.152 1.00 0.00 H new ATOM 0 HG1 THR A 14 38.691 35.839 11.064 1.00 0.00 H new ATOM 0 HG21 THR A 14 38.663 34.852 8.654 1.00 0.00 H new ATOM 0 HG22 THR A 14 38.099 33.191 8.952 1.00 0.00 H new ATOM 0 HG23 THR A 14 37.334 34.557 9.800 1.00 0.00 H new ATOM 237 N LEU A 15 37.582 31.218 10.561 1.00 0.00 N ATOM 238 CA LEU A 15 37.406 29.869 10.021 1.00 0.00 C ATOM 239 C LEU A 15 36.841 29.944 8.600 1.00 0.00 C ATOM 240 O LEU A 15 36.112 30.875 8.259 1.00 0.00 O ATOM 241 CB LEU A 15 36.426 29.095 10.944 1.00 0.00 C ATOM 242 CG LEU A 15 37.119 27.907 11.632 1.00 0.00 C ATOM 243 CD1 LEU A 15 38.175 28.412 12.625 1.00 0.00 C ATOM 244 CD2 LEU A 15 36.062 27.090 12.382 1.00 0.00 C ATOM 0 H LEU A 15 36.742 31.795 10.518 1.00 0.00 H new ATOM 0 HA LEU A 15 38.366 29.354 9.983 1.00 0.00 H new ATOM 0 HB2 LEU A 15 36.025 29.771 11.699 1.00 0.00 H new ATOM 0 HB3 LEU A 15 35.580 28.735 10.358 1.00 0.00 H new ATOM 0 HG LEU A 15 37.612 27.288 10.882 1.00 0.00 H new ATOM 0 HD11 LEU A 15 38.659 27.562 13.106 1.00 0.00 H new ATOM 0 HD12 LEU A 15 38.922 29.001 12.093 1.00 0.00 H new ATOM 0 HD13 LEU A 15 37.695 29.032 13.382 1.00 0.00 H new ATOM 0 HD21 LEU A 15 36.539 26.243 12.875 1.00 0.00 H new ATOM 0 HD22 LEU A 15 35.578 27.719 13.129 1.00 0.00 H new ATOM 0 HD23 LEU A 15 35.316 26.725 11.676 1.00 0.00 H new ATOM 256 N GLU A 16 37.154 28.933 7.792 1.00 0.00 N ATOM 257 CA GLU A 16 36.645 28.862 6.418 1.00 0.00 C ATOM 258 C GLU A 16 35.592 27.765 6.342 1.00 0.00 C ATOM 259 O GLU A 16 35.859 26.620 6.700 1.00 0.00 O ATOM 260 CB GLU A 16 37.781 28.559 5.432 1.00 0.00 C ATOM 261 CG GLU A 16 37.245 28.609 3.998 1.00 0.00 C ATOM 262 CD GLU A 16 38.407 28.627 3.009 1.00 0.00 C ATOM 263 OE1 GLU A 16 38.878 29.709 2.698 1.00 0.00 O ATOM 264 OE2 GLU A 16 38.809 27.559 2.578 1.00 0.00 O ATOM 0 H GLU A 16 37.755 28.154 8.060 1.00 0.00 H new ATOM 0 HA GLU A 16 36.208 29.823 6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.586 29.284 5.555 1.00 0.00 H new ATOM 0 HB3 GLU A 16 38.203 27.576 5.639 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.608 27.745 3.808 1.00 0.00 H new ATOM 0 HG3 GLU A 16 36.627 29.497 3.862 1.00 0.00 H new ATOM 271 N VAL A 17 34.394 28.124 5.887 1.00 0.00 N ATOM 272 CA VAL A 17 33.308 27.149 5.795 1.00 0.00 C ATOM 273 C VAL A 17 32.383 27.449 4.622 1.00 0.00 C ATOM 274 O VAL A 17 32.438 28.523 4.022 1.00 0.00 O ATOM 275 CB VAL A 17 32.507 27.119 7.115 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.445 27.357 8.301 1.00 0.00 C ATOM 277 CG2 VAL A 17 31.430 28.208 7.114 1.00 0.00 C ATOM 0 H VAL A 17 34.152 29.066 5.581 1.00 0.00 H new ATOM 0 HA VAL A 17 33.753 26.169 5.623 1.00 0.00 H new ATOM 0 HB VAL A 17 32.034 26.141 7.204 1.00 0.00 H new ATOM 0 HG11 VAL A 17 32.872 27.334 9.228 1.00 0.00 H new ATOM 0 HG12 VAL A 17 34.206 26.577 8.325 1.00 0.00 H new ATOM 0 HG13 VAL A 17 33.926 28.330 8.195 1.00 0.00 H new ATOM 0 HG21 VAL A 17 30.875 28.172 8.052 1.00 0.00 H new ATOM 0 HG22 VAL A 17 31.901 29.185 7.008 1.00 0.00 H new ATOM 0 HG23 VAL A 17 30.746 28.043 6.281 1.00 0.00 H new ATOM 287 N GLU A 18 31.518 26.484 4.314 1.00 0.00 N ATOM 288 CA GLU A 18 30.551 26.627 3.232 1.00 0.00 C ATOM 289 C GLU A 18 29.188 26.966 3.835 1.00 0.00 C ATOM 290 O GLU A 18 28.896 26.571 4.965 1.00 0.00 O ATOM 291 CB GLU A 18 30.459 25.313 2.447 1.00 0.00 C ATOM 292 CG GLU A 18 31.731 25.119 1.620 1.00 0.00 C ATOM 293 CD GLU A 18 31.655 23.805 0.851 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.557 23.299 0.689 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.697 23.323 0.437 1.00 0.00 O ATOM 0 H GLU A 18 31.469 25.590 4.803 1.00 0.00 H new ATOM 0 HA GLU A 18 30.864 27.422 2.555 1.00 0.00 H new ATOM 0 HB2 GLU A 18 30.328 24.476 3.133 1.00 0.00 H new ATOM 0 HB3 GLU A 18 29.587 25.329 1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 18 31.854 25.950 0.926 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.603 25.118 2.274 1.00 0.00 H new ATOM 302 N PRO A 19 28.353 27.682 3.130 1.00 0.00 N ATOM 303 CA PRO A 19 27.007 28.064 3.649 1.00 0.00 C ATOM 304 C PRO A 19 26.120 26.841 3.859 1.00 0.00 C ATOM 305 O PRO A 19 25.090 26.916 4.530 1.00 0.00 O ATOM 306 CB PRO A 19 26.443 28.990 2.555 1.00 0.00 C ATOM 307 CG PRO A 19 27.175 28.599 1.314 1.00 0.00 C ATOM 308 CD PRO A 19 28.576 28.203 1.771 1.00 0.00 C ATOM 0 HA PRO A 19 27.055 28.548 4.624 1.00 0.00 H new ATOM 0 HB2 PRO A 19 25.367 28.857 2.439 1.00 0.00 H new ATOM 0 HB3 PRO A 19 26.610 30.039 2.799 1.00 0.00 H new ATOM 0 HG2 PRO A 19 26.678 27.770 0.811 1.00 0.00 H new ATOM 0 HG3 PRO A 19 27.213 29.426 0.605 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.014 27.449 1.118 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.255 29.056 1.773 1.00 0.00 H new ATOM 316 N SER A 20 26.518 25.715 3.264 1.00 0.00 N ATOM 317 CA SER A 20 25.749 24.476 3.367 1.00 0.00 C ATOM 318 C SER A 20 26.366 23.518 4.383 1.00 0.00 C ATOM 319 O SER A 20 25.915 22.381 4.520 1.00 0.00 O ATOM 320 CB SER A 20 25.706 23.798 1.996 1.00 0.00 C ATOM 321 OG SER A 20 24.709 22.787 2.003 1.00 0.00 O ATOM 0 H SER A 20 27.368 25.637 2.706 1.00 0.00 H new ATOM 0 HA SER A 20 24.742 24.725 3.703 1.00 0.00 H new ATOM 0 HB2 SER A 20 25.489 24.533 1.221 1.00 0.00 H new ATOM 0 HB3 SER A 20 26.678 23.364 1.761 1.00 0.00 H new ATOM 0 HG SER A 20 24.702 22.341 2.875 1.00 0.00 H new ATOM 327 N ASP A 21 27.395 23.971 5.093 1.00 0.00 N ATOM 328 CA ASP A 21 28.046 23.131 6.086 1.00 0.00 C ATOM 329 C ASP A 21 27.089 22.832 7.233 1.00 0.00 C ATOM 330 O ASP A 21 26.244 23.658 7.577 1.00 0.00 O ATOM 331 CB ASP A 21 29.303 23.842 6.608 1.00 0.00 C ATOM 332 CG ASP A 21 30.476 23.650 5.644 1.00 0.00 C ATOM 333 OD1 ASP A 21 30.372 22.809 4.766 1.00 0.00 O ATOM 334 OD2 ASP A 21 31.466 24.343 5.807 1.00 0.00 O ATOM 0 H ASP A 21 27.791 24.906 4.999 1.00 0.00 H new ATOM 0 HA ASP A 21 28.334 22.185 5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 21 29.099 24.906 6.733 1.00 0.00 H new ATOM 0 HB3 ASP A 21 29.566 23.450 7.591 1.00 0.00 H new ATOM 339 N THR A 22 27.228 21.646 7.824 1.00 0.00 N ATOM 340 CA THR A 22 26.368 21.253 8.936 1.00 0.00 C ATOM 341 C THR A 22 26.993 21.687 10.251 1.00 0.00 C ATOM 342 O THR A 22 28.214 21.778 10.362 1.00 0.00 O ATOM 343 CB THR A 22 26.168 19.735 8.942 1.00 0.00 C ATOM 344 OG1 THR A 22 27.429 19.094 9.063 1.00 0.00 O ATOM 345 CG2 THR A 22 25.491 19.297 7.641 1.00 0.00 C ATOM 0 H THR A 22 27.921 20.948 7.554 1.00 0.00 H new ATOM 0 HA THR A 22 25.400 21.739 8.816 1.00 0.00 H new ATOM 0 HB THR A 22 25.536 19.457 9.785 1.00 0.00 H new ATOM 0 HG1 THR A 22 27.303 18.122 9.069 1.00 0.00 H new ATOM 0 HG21 THR A 22 25.351 18.216 7.650 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.522 19.788 7.552 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.118 19.575 6.793 1.00 0.00 H new ATOM 353 N ILE A 23 26.157 21.948 11.243 1.00 0.00 N ATOM 354 CA ILE A 23 26.664 22.366 12.541 1.00 0.00 C ATOM 355 C ILE A 23 27.727 21.384 13.019 1.00 0.00 C ATOM 356 O ILE A 23 28.583 21.724 13.836 1.00 0.00 O ATOM 357 CB ILE A 23 25.522 22.431 13.559 1.00 0.00 C ATOM 358 CG1 ILE A 23 24.330 23.188 12.960 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.999 23.151 14.819 1.00 0.00 C ATOM 360 CD1 ILE A 23 24.794 24.522 12.363 1.00 0.00 C ATOM 0 H ILE A 23 25.141 21.880 11.178 1.00 0.00 H new ATOM 0 HA ILE A 23 27.106 23.357 12.445 1.00 0.00 H new ATOM 0 HB ILE A 23 25.213 21.417 13.812 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.856 22.582 12.188 1.00 0.00 H new ATOM 0 HG13 ILE A 23 23.580 23.368 13.730 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.185 23.196 15.542 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.839 22.608 15.252 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.314 24.163 14.563 1.00 0.00 H new ATOM 0 HD11 ILE A 23 23.938 25.049 11.941 1.00 0.00 H new ATOM 0 HD12 ILE A 23 25.247 25.132 13.144 1.00 0.00 H new ATOM 0 HD13 ILE A 23 25.527 24.334 11.578 1.00 0.00 H new ATOM 372 N GLU A 24 27.679 20.172 12.481 1.00 0.00 N ATOM 373 CA GLU A 24 28.650 19.149 12.844 1.00 0.00 C ATOM 374 C GLU A 24 29.974 19.407 12.125 1.00 0.00 C ATOM 375 O GLU A 24 31.027 19.488 12.755 1.00 0.00 O ATOM 376 CB GLU A 24 28.106 17.767 12.476 1.00 0.00 C ATOM 377 CG GLU A 24 28.980 16.685 13.112 1.00 0.00 C ATOM 378 CD GLU A 24 28.742 16.639 14.618 1.00 0.00 C ATOM 379 OE1 GLU A 24 27.589 16.610 15.016 1.00 0.00 O ATOM 380 OE2 GLU A 24 29.718 16.632 15.351 1.00 0.00 O ATOM 0 H GLU A 24 26.983 19.875 11.797 1.00 0.00 H new ATOM 0 HA GLU A 24 28.825 19.185 13.919 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.077 17.667 12.821 1.00 0.00 H new ATOM 0 HB3 GLU A 24 28.092 17.647 11.393 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.752 15.715 12.670 1.00 0.00 H new ATOM 0 HG3 GLU A 24 30.031 16.889 12.908 1.00 0.00 H new ATOM 387 N ASN A 25 29.910 19.529 10.803 1.00 0.00 N ATOM 388 CA ASN A 25 31.100 19.776 10.008 1.00 0.00 C ATOM 389 C ASN A 25 31.825 21.027 10.504 1.00 0.00 C ATOM 390 O ASN A 25 33.050 21.045 10.612 1.00 0.00 O ATOM 391 CB ASN A 25 30.698 19.966 8.545 1.00 0.00 C ATOM 392 CG ASN A 25 30.187 18.653 7.962 1.00 0.00 C ATOM 393 OD1 ASN A 25 30.564 17.578 8.425 1.00 0.00 O ATOM 394 ND2 ASN A 25 29.346 18.680 6.965 1.00 0.00 N ATOM 0 H ASN A 25 29.047 19.460 10.264 1.00 0.00 H new ATOM 0 HA ASN A 25 31.772 18.923 10.102 1.00 0.00 H new ATOM 0 HB2 ASN A 25 29.925 20.731 8.470 1.00 0.00 H new ATOM 0 HB3 ASN A 25 31.553 20.319 7.969 1.00 0.00 H new ATOM 0 HD21 ASN A 25 28.999 17.807 6.567 1.00 0.00 H new ATOM 0 HD22 ASN A 25 29.036 19.574 6.584 1.00 0.00 H new ATOM 401 N VAL A 26 31.061 22.074 10.797 1.00 0.00 N ATOM 402 CA VAL A 26 31.656 23.320 11.271 1.00 0.00 C ATOM 403 C VAL A 26 32.324 23.108 12.628 1.00 0.00 C ATOM 404 O VAL A 26 33.421 23.610 12.875 1.00 0.00 O ATOM 405 CB VAL A 26 30.593 24.418 11.368 1.00 0.00 C ATOM 406 CG1 VAL A 26 31.256 25.728 11.785 1.00 0.00 C ATOM 407 CG2 VAL A 26 29.926 24.605 10.003 1.00 0.00 C ATOM 0 H VAL A 26 30.044 22.087 10.717 1.00 0.00 H new ATOM 0 HA VAL A 26 32.415 23.634 10.555 1.00 0.00 H new ATOM 0 HB VAL A 26 29.843 24.133 12.106 1.00 0.00 H new ATOM 0 HG11 VAL A 26 30.501 26.512 11.855 1.00 0.00 H new ATOM 0 HG12 VAL A 26 31.737 25.600 12.755 1.00 0.00 H new ATOM 0 HG13 VAL A 26 32.004 26.009 11.044 1.00 0.00 H new ATOM 0 HG21 VAL A 26 29.169 25.387 10.072 1.00 0.00 H new ATOM 0 HG22 VAL A 26 30.677 24.891 9.267 1.00 0.00 H new ATOM 0 HG23 VAL A 26 29.456 23.671 9.697 1.00 0.00 H new ATOM 417 N LYS A 27 31.668 22.348 13.500 1.00 0.00 N ATOM 418 CA LYS A 27 32.233 22.073 14.815 1.00 0.00 C ATOM 419 C LYS A 27 33.531 21.308 14.639 1.00 0.00 C ATOM 420 O LYS A 27 34.505 21.522 15.360 1.00 0.00 O ATOM 421 CB LYS A 27 31.244 21.257 15.658 1.00 0.00 C ATOM 422 CG LYS A 27 30.188 22.189 16.262 1.00 0.00 C ATOM 423 CD LYS A 27 29.043 21.360 16.854 1.00 0.00 C ATOM 424 CE LYS A 27 28.223 22.227 17.812 1.00 0.00 C ATOM 425 NZ LYS A 27 29.073 22.631 18.967 1.00 0.00 N ATOM 0 H LYS A 27 30.760 21.918 13.324 1.00 0.00 H new ATOM 0 HA LYS A 27 32.428 23.011 15.334 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.763 20.499 15.040 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.775 20.731 16.451 1.00 0.00 H new ATOM 0 HG2 LYS A 27 30.638 22.810 17.037 1.00 0.00 H new ATOM 0 HG3 LYS A 27 29.804 22.863 15.496 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.406 20.980 16.056 1.00 0.00 H new ATOM 0 HD3 LYS A 27 29.443 20.495 17.382 1.00 0.00 H new ATOM 0 HE2 LYS A 27 27.852 23.111 17.293 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.351 21.675 18.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 28.466 22.899 19.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 29.681 21.835 19.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 29.666 23.441 18.695 1.00 0.00 H new ATOM 439 N ALA A 28 33.530 20.410 13.665 1.00 0.00 N ATOM 440 CA ALA A 28 34.699 19.606 13.372 1.00 0.00 C ATOM 441 C ALA A 28 35.877 20.506 13.003 1.00 0.00 C ATOM 442 O ALA A 28 37.010 20.259 13.412 1.00 0.00 O ATOM 443 CB ALA A 28 34.369 18.657 12.218 1.00 0.00 C ATOM 0 H ALA A 28 32.728 20.222 13.064 1.00 0.00 H new ATOM 0 HA ALA A 28 34.978 19.025 14.251 1.00 0.00 H new ATOM 0 HB1 ALA A 28 35.242 18.046 11.988 1.00 0.00 H new ATOM 0 HB2 ALA A 28 33.539 18.011 12.504 1.00 0.00 H new ATOM 0 HB3 ALA A 28 34.090 19.237 11.338 1.00 0.00 H new ATOM 449 N LYS A 29 35.591 21.556 12.235 1.00 0.00 N ATOM 450 CA LYS A 29 36.632 22.497 11.828 1.00 0.00 C ATOM 451 C LYS A 29 37.178 23.219 13.059 1.00 0.00 C ATOM 452 O LYS A 29 38.384 23.453 13.184 1.00 0.00 O ATOM 453 CB LYS A 29 36.073 23.535 10.844 1.00 0.00 C ATOM 454 CG LYS A 29 35.694 22.863 9.521 1.00 0.00 C ATOM 455 CD LYS A 29 35.107 23.910 8.565 1.00 0.00 C ATOM 456 CE LYS A 29 34.655 23.227 7.274 1.00 0.00 C ATOM 457 NZ LYS A 29 35.830 22.594 6.612 1.00 0.00 N ATOM 0 H LYS A 29 34.658 21.775 11.886 1.00 0.00 H new ATOM 0 HA LYS A 29 37.429 21.938 11.337 1.00 0.00 H new ATOM 0 HB2 LYS A 29 35.199 24.022 11.276 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.815 24.313 10.665 1.00 0.00 H new ATOM 0 HG2 LYS A 29 36.572 22.397 9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 29 34.968 22.070 9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 29 34.264 24.415 9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.853 24.673 8.343 1.00 0.00 H new ATOM 0 HE2 LYS A 29 33.898 22.474 7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 29 34.196 23.955 6.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 35.599 22.385 5.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.641 23.244 6.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 36.072 21.711 7.105 1.00 0.00 H new ATOM 471 N ILE A 30 36.273 23.547 13.973 1.00 0.00 N ATOM 472 CA ILE A 30 36.648 24.226 15.195 1.00 0.00 C ATOM 473 C ILE A 30 37.496 23.309 16.073 1.00 0.00 C ATOM 474 O ILE A 30 38.507 23.733 16.622 1.00 0.00 O ATOM 475 CB ILE A 30 35.383 24.669 15.938 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.727 25.821 15.167 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.750 25.139 17.347 1.00 0.00 C ATOM 478 CD1 ILE A 30 33.340 26.114 15.748 1.00 0.00 C ATOM 0 H ILE A 30 35.276 23.351 13.886 1.00 0.00 H new ATOM 0 HA ILE A 30 37.244 25.106 14.952 1.00 0.00 H new ATOM 0 HB ILE A 30 34.689 23.832 16.011 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.352 26.712 15.227 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.642 25.562 14.112 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.848 25.453 17.872 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.221 24.321 17.892 1.00 0.00 H new ATOM 0 HG23 ILE A 30 36.443 25.978 17.282 1.00 0.00 H new ATOM 0 HD11 ILE A 30 32.880 26.933 15.196 1.00 0.00 H new ATOM 0 HD12 ILE A 30 32.715 25.225 15.665 1.00 0.00 H new ATOM 0 HD13 ILE A 30 33.437 26.393 16.797 1.00 0.00 H new ATOM 490 N GLN A 31 37.073 22.058 16.204 1.00 0.00 N ATOM 491 CA GLN A 31 37.807 21.099 17.024 1.00 0.00 C ATOM 492 C GLN A 31 39.218 20.902 16.480 1.00 0.00 C ATOM 493 O GLN A 31 40.186 20.881 17.233 1.00 0.00 O ATOM 494 CB GLN A 31 37.080 19.753 17.043 1.00 0.00 C ATOM 495 CG GLN A 31 37.875 18.760 17.895 1.00 0.00 C ATOM 496 CD GLN A 31 37.047 17.506 18.151 1.00 0.00 C ATOM 497 OE1 GLN A 31 36.219 17.127 17.323 1.00 0.00 O ATOM 498 NE2 GLN A 31 37.223 16.836 19.257 1.00 0.00 N ATOM 0 H GLN A 31 36.235 21.685 15.759 1.00 0.00 H new ATOM 0 HA GLN A 31 37.866 21.493 18.039 1.00 0.00 H new ATOM 0 HB2 GLN A 31 36.076 19.875 17.448 1.00 0.00 H new ATOM 0 HB3 GLN A 31 36.970 19.372 16.028 1.00 0.00 H new ATOM 0 HG2 GLN A 31 38.802 18.495 17.387 1.00 0.00 H new ATOM 0 HG3 GLN A 31 38.151 19.222 18.843 1.00 0.00 H new ATOM 0 HE21 GLN A 31 37.910 17.153 19.941 1.00 0.00 H new ATOM 0 HE22 GLN A 31 36.674 15.996 19.437 1.00 0.00 H new ATOM 507 N ASP A 32 39.316 20.739 15.171 1.00 0.00 N ATOM 508 CA ASP A 32 40.609 20.524 14.531 1.00 0.00 C ATOM 509 C ASP A 32 41.589 21.652 14.857 1.00 0.00 C ATOM 510 O ASP A 32 42.783 21.408 15.028 1.00 0.00 O ATOM 511 CB ASP A 32 40.428 20.424 13.015 1.00 0.00 C ATOM 512 CG ASP A 32 41.776 20.186 12.344 1.00 0.00 C ATOM 513 OD1 ASP A 32 42.738 19.949 13.056 1.00 0.00 O ATOM 514 OD2 ASP A 32 41.828 20.244 11.126 1.00 0.00 O ATOM 0 H ASP A 32 38.522 20.751 14.531 1.00 0.00 H new ATOM 0 HA ASP A 32 41.023 19.592 14.916 1.00 0.00 H new ATOM 0 HB2 ASP A 32 39.744 19.610 12.775 1.00 0.00 H new ATOM 0 HB3 ASP A 32 39.979 21.341 12.633 1.00 0.00 H new ATOM 519 N LYS A 33 41.095 22.892 14.913 1.00 0.00 N ATOM 520 CA LYS A 33 41.972 24.038 15.191 1.00 0.00 C ATOM 521 C LYS A 33 42.086 24.357 16.688 1.00 0.00 C ATOM 522 O LYS A 33 43.157 24.742 17.156 1.00 0.00 O ATOM 523 CB LYS A 33 41.457 25.274 14.450 1.00 0.00 C ATOM 524 CG LYS A 33 41.424 24.993 12.944 1.00 0.00 C ATOM 525 CD LYS A 33 41.340 26.315 12.178 1.00 0.00 C ATOM 526 CE LYS A 33 41.169 26.035 10.683 1.00 0.00 C ATOM 527 NZ LYS A 33 42.302 25.196 10.201 1.00 0.00 N ATOM 0 H LYS A 33 40.113 23.128 14.773 1.00 0.00 H new ATOM 0 HA LYS A 33 42.968 23.765 14.841 1.00 0.00 H new ATOM 0 HB2 LYS A 33 40.459 25.533 14.804 1.00 0.00 H new ATOM 0 HB3 LYS A 33 42.101 26.129 14.657 1.00 0.00 H new ATOM 0 HG2 LYS A 33 42.318 24.445 12.646 1.00 0.00 H new ATOM 0 HG3 LYS A 33 40.568 24.364 12.700 1.00 0.00 H new ATOM 0 HD2 LYS A 33 40.501 26.907 12.545 1.00 0.00 H new ATOM 0 HD3 LYS A 33 42.243 26.902 12.347 1.00 0.00 H new ATOM 0 HE2 LYS A 33 40.223 25.524 10.504 1.00 0.00 H new ATOM 0 HE3 LYS A 33 41.135 26.973 10.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 42.569 25.492 9.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.116 25.312 10.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 42.013 24.197 10.187 1.00 0.00 H new ATOM 541 N GLU A 34 40.987 24.233 17.437 1.00 0.00 N ATOM 542 CA GLU A 34 41.006 24.555 18.874 1.00 0.00 C ATOM 543 C GLU A 34 41.137 23.306 19.750 1.00 0.00 C ATOM 544 O GLU A 34 41.417 23.411 20.944 1.00 0.00 O ATOM 545 CB GLU A 34 39.726 25.306 19.255 1.00 0.00 C ATOM 546 CG GLU A 34 39.558 26.530 18.351 1.00 0.00 C ATOM 547 CD GLU A 34 40.712 27.504 18.565 1.00 0.00 C ATOM 548 OE1 GLU A 34 41.086 27.707 19.709 1.00 0.00 O ATOM 549 OE2 GLU A 34 41.205 28.033 17.582 1.00 0.00 O ATOM 0 H GLU A 34 40.084 23.917 17.083 1.00 0.00 H new ATOM 0 HA GLU A 34 41.881 25.180 19.052 1.00 0.00 H new ATOM 0 HB2 GLU A 34 38.863 24.647 19.156 1.00 0.00 H new ATOM 0 HB3 GLU A 34 39.772 25.616 20.299 1.00 0.00 H new ATOM 0 HG2 GLU A 34 39.524 26.218 17.307 1.00 0.00 H new ATOM 0 HG3 GLU A 34 38.611 27.024 18.567 1.00 0.00 H new ATOM 556 N GLY A 35 40.967 22.129 19.159 1.00 0.00 N ATOM 557 CA GLY A 35 41.104 20.881 19.911 1.00 0.00 C ATOM 558 C GLY A 35 39.990 20.690 20.946 1.00 0.00 C ATOM 559 O GLY A 35 40.067 19.790 21.782 1.00 0.00 O ATOM 0 H GLY A 35 40.737 22.009 18.173 1.00 0.00 H new ATOM 0 HA2 GLY A 35 41.098 20.041 19.217 1.00 0.00 H new ATOM 0 HA3 GLY A 35 42.070 20.870 20.416 1.00 0.00 H new ATOM 563 N ILE A 36 38.958 21.529 20.890 1.00 0.00 N ATOM 564 CA ILE A 36 37.845 21.426 21.829 1.00 0.00 C ATOM 565 C ILE A 36 36.842 20.358 21.354 1.00 0.00 C ATOM 566 O ILE A 36 36.445 20.371 20.187 1.00 0.00 O ATOM 567 CB ILE A 36 37.139 22.780 21.922 1.00 0.00 C ATOM 568 CG1 ILE A 36 38.168 23.867 22.241 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.094 22.729 23.032 1.00 0.00 C ATOM 570 CD1 ILE A 36 37.501 25.245 22.201 1.00 0.00 C ATOM 0 H ILE A 36 38.870 22.283 20.209 1.00 0.00 H new ATOM 0 HA ILE A 36 38.230 21.138 22.807 1.00 0.00 H new ATOM 0 HB ILE A 36 36.653 23.006 20.973 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.601 23.692 23.226 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.986 23.828 21.521 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.589 23.693 23.101 1.00 0.00 H new ATOM 0 HG22 ILE A 36 35.363 21.952 22.808 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.582 22.506 23.981 1.00 0.00 H new ATOM 0 HD11 ILE A 36 38.240 26.013 22.429 1.00 0.00 H new ATOM 0 HD12 ILE A 36 37.089 25.421 21.207 1.00 0.00 H new ATOM 0 HD13 ILE A 36 36.699 25.283 22.938 1.00 0.00 H new ATOM 582 N PRO A 37 36.418 19.438 22.206 1.00 0.00 N ATOM 583 CA PRO A 37 35.447 18.381 21.802 1.00 0.00 C ATOM 584 C PRO A 37 34.005 18.922 21.697 1.00 0.00 C ATOM 585 O PRO A 37 33.486 19.502 22.657 1.00 0.00 O ATOM 586 CB PRO A 37 35.566 17.336 22.918 1.00 0.00 C ATOM 587 CG PRO A 37 35.962 18.117 24.128 1.00 0.00 C ATOM 588 CD PRO A 37 36.806 19.296 23.624 1.00 0.00 C ATOM 0 HA PRO A 37 35.665 17.979 20.813 1.00 0.00 H new ATOM 0 HB2 PRO A 37 34.622 16.815 23.075 1.00 0.00 H new ATOM 0 HB3 PRO A 37 36.311 16.579 22.674 1.00 0.00 H new ATOM 0 HG2 PRO A 37 35.083 18.471 24.667 1.00 0.00 H new ATOM 0 HG3 PRO A 37 36.533 17.498 24.820 1.00 0.00 H new ATOM 0 HD2 PRO A 37 36.597 20.205 24.187 1.00 0.00 H new ATOM 0 HD3 PRO A 37 37.872 19.095 23.727 1.00 0.00 H new ATOM 596 N PRO A 38 33.351 18.751 20.570 1.00 0.00 N ATOM 597 CA PRO A 38 31.951 19.226 20.376 1.00 0.00 C ATOM 598 C PRO A 38 31.064 18.939 21.583 1.00 0.00 C ATOM 599 O PRO A 38 29.981 19.508 21.719 1.00 0.00 O ATOM 600 CB PRO A 38 31.486 18.443 19.148 1.00 0.00 C ATOM 601 CG PRO A 38 32.725 18.251 18.345 1.00 0.00 C ATOM 602 CD PRO A 38 33.864 18.097 19.350 1.00 0.00 C ATOM 0 HA PRO A 38 31.895 20.307 20.250 1.00 0.00 H new ATOM 0 HB2 PRO A 38 31.042 17.488 19.429 1.00 0.00 H new ATOM 0 HB3 PRO A 38 30.730 18.993 18.588 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.644 17.369 17.710 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.899 19.103 17.687 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.101 17.048 19.528 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.778 18.574 18.995 1.00 0.00 H new ATOM 610 N ASP A 39 31.527 18.052 22.456 1.00 0.00 N ATOM 611 CA ASP A 39 30.760 17.698 23.641 1.00 0.00 C ATOM 612 C ASP A 39 30.852 18.789 24.702 1.00 0.00 C ATOM 613 O ASP A 39 29.970 18.911 25.551 1.00 0.00 O ATOM 614 CB ASP A 39 31.274 16.379 24.222 1.00 0.00 C ATOM 615 CG ASP A 39 30.986 15.234 23.257 1.00 0.00 C ATOM 616 OD1 ASP A 39 30.076 15.375 22.456 1.00 0.00 O ATOM 617 OD2 ASP A 39 31.679 14.233 23.332 1.00 0.00 O ATOM 0 H ASP A 39 32.421 17.570 22.366 1.00 0.00 H new ATOM 0 HA ASP A 39 29.717 17.589 23.346 1.00 0.00 H new ATOM 0 HB2 ASP A 39 32.346 16.448 24.408 1.00 0.00 H new ATOM 0 HB3 ASP A 39 30.796 16.185 25.182 1.00 0.00 H new ATOM 622 N GLN A 40 31.922 19.580 24.655 1.00 0.00 N ATOM 623 CA GLN A 40 32.125 20.658 25.625 1.00 0.00 C ATOM 624 C GLN A 40 31.905 22.022 24.982 1.00 0.00 C ATOM 625 O GLN A 40 31.857 23.039 25.676 1.00 0.00 O ATOM 626 CB GLN A 40 33.552 20.595 26.173 1.00 0.00 C ATOM 627 CG GLN A 40 33.721 19.336 27.027 1.00 0.00 C ATOM 628 CD GLN A 40 35.127 19.294 27.619 1.00 0.00 C ATOM 629 OE1 GLN A 40 36.089 19.694 26.964 1.00 0.00 O ATOM 630 NE2 GLN A 40 35.303 18.831 28.826 1.00 0.00 N ATOM 0 H GLN A 40 32.662 19.496 23.958 1.00 0.00 H new ATOM 0 HA GLN A 40 31.403 20.527 26.431 1.00 0.00 H new ATOM 0 HB2 GLN A 40 34.268 20.587 25.351 1.00 0.00 H new ATOM 0 HB3 GLN A 40 33.762 21.482 26.770 1.00 0.00 H new ATOM 0 HG2 GLN A 40 32.980 19.326 27.826 1.00 0.00 H new ATOM 0 HG3 GLN A 40 33.546 18.448 26.420 1.00 0.00 H new ATOM 0 HE21 GLN A 40 34.504 18.500 29.367 1.00 0.00 H new ATOM 0 HE22 GLN A 40 36.240 18.800 29.229 1.00 0.00 H new ATOM 639 N GLN A 41 31.800 22.047 23.652 1.00 0.00 N ATOM 640 CA GLN A 41 31.617 23.308 22.926 1.00 0.00 C ATOM 641 C GLN A 41 30.166 23.528 22.517 1.00 0.00 C ATOM 642 O GLN A 41 29.511 22.637 21.973 1.00 0.00 O ATOM 643 CB GLN A 41 32.487 23.302 21.669 1.00 0.00 C ATOM 644 CG GLN A 41 32.537 24.708 21.070 1.00 0.00 C ATOM 645 CD GLN A 41 33.487 24.724 19.877 1.00 0.00 C ATOM 646 OE1 GLN A 41 34.688 24.936 20.042 1.00 0.00 O ATOM 647 NE2 GLN A 41 33.018 24.506 18.679 1.00 0.00 N ATOM 0 H GLN A 41 31.838 21.218 23.059 1.00 0.00 H new ATOM 0 HA GLN A 41 31.908 24.117 23.596 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.494 22.965 21.914 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.084 22.600 20.939 1.00 0.00 H new ATOM 0 HG2 GLN A 41 31.539 25.016 20.757 1.00 0.00 H new ATOM 0 HG3 GLN A 41 32.870 25.423 21.822 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.022 24.331 18.545 1.00 0.00 H new ATOM 0 HE22 GLN A 41 33.647 24.511 17.876 1.00 0.00 H new ATOM 656 N ARG A 42 29.686 24.744 22.767 1.00 0.00 N ATOM 657 CA ARG A 42 28.324 25.142 22.416 1.00 0.00 C ATOM 658 C ARG A 42 28.394 26.412 21.573 1.00 0.00 C ATOM 659 O ARG A 42 29.085 27.363 21.942 1.00 0.00 O ATOM 660 CB ARG A 42 27.505 25.405 23.688 1.00 0.00 C ATOM 661 CG ARG A 42 27.436 24.128 24.553 1.00 0.00 C ATOM 662 CD ARG A 42 26.259 23.251 24.111 1.00 0.00 C ATOM 663 NE ARG A 42 24.991 23.899 24.436 1.00 0.00 N ATOM 664 CZ ARG A 42 24.483 23.847 25.665 1.00 0.00 C ATOM 665 NH1 ARG A 42 23.342 24.426 25.926 1.00 0.00 N ATOM 666 NH2 ARG A 42 25.125 23.217 26.611 1.00 0.00 N ATOM 0 H ARG A 42 30.229 25.480 23.218 1.00 0.00 H new ATOM 0 HA ARG A 42 27.839 24.344 21.853 1.00 0.00 H new ATOM 0 HB2 ARG A 42 27.958 26.216 24.259 1.00 0.00 H new ATOM 0 HB3 ARG A 42 26.498 25.727 23.421 1.00 0.00 H new ATOM 0 HG2 ARG A 42 28.368 23.570 24.465 1.00 0.00 H new ATOM 0 HG3 ARG A 42 27.324 24.397 25.603 1.00 0.00 H new ATOM 0 HD2 ARG A 42 26.317 23.068 23.038 1.00 0.00 H new ATOM 0 HD3 ARG A 42 26.315 22.280 24.604 1.00 0.00 H new ATOM 0 HE ARG A 42 24.485 24.401 23.707 1.00 0.00 H new ATOM 0 HH11 ARG A 42 22.839 24.919 25.188 1.00 0.00 H new ATOM 0 HH12 ARG A 42 22.953 24.386 26.868 1.00 0.00 H new ATOM 0 HH21 ARG A 42 26.016 22.764 26.408 1.00 0.00 H new ATOM 0 HH22 ARG A 42 24.735 23.177 27.553 1.00 0.00 H new ATOM 680 N LEU A 43 27.698 26.430 20.434 1.00 0.00 N ATOM 681 CA LEU A 43 27.717 27.599 19.544 1.00 0.00 C ATOM 682 C LEU A 43 26.335 28.247 19.471 1.00 0.00 C ATOM 683 O LEU A 43 25.332 27.565 19.256 1.00 0.00 O ATOM 684 CB LEU A 43 28.155 27.168 18.139 1.00 0.00 C ATOM 685 CG LEU A 43 29.414 26.295 18.223 1.00 0.00 C ATOM 686 CD1 LEU A 43 29.803 25.828 16.817 1.00 0.00 C ATOM 687 CD2 LEU A 43 30.570 27.104 18.826 1.00 0.00 C ATOM 0 H LEU A 43 27.118 25.657 20.106 1.00 0.00 H new ATOM 0 HA LEU A 43 28.422 28.328 19.944 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.351 26.615 17.653 1.00 0.00 H new ATOM 0 HB3 LEU A 43 28.353 28.047 17.526 1.00 0.00 H new ATOM 0 HG LEU A 43 29.210 25.431 18.856 1.00 0.00 H new ATOM 0 HD11 LEU A 43 30.697 25.208 16.874 1.00 0.00 H new ATOM 0 HD12 LEU A 43 28.986 25.248 16.387 1.00 0.00 H new ATOM 0 HD13 LEU A 43 30.003 26.695 16.188 1.00 0.00 H new ATOM 0 HD21 LEU A 43 31.461 26.479 18.883 1.00 0.00 H new ATOM 0 HD22 LEU A 43 30.775 27.971 18.197 1.00 0.00 H new ATOM 0 HD23 LEU A 43 30.297 27.438 19.827 1.00 0.00 H new ATOM 699 N ILE A 44 26.289 29.572 19.662 1.00 0.00 N ATOM 700 CA ILE A 44 25.023 30.315 19.625 1.00 0.00 C ATOM 701 C ILE A 44 25.121 31.535 18.702 1.00 0.00 C ATOM 702 O ILE A 44 26.168 32.177 18.597 1.00 0.00 O ATOM 703 CB ILE A 44 24.644 30.762 21.041 1.00 0.00 C ATOM 704 CG1 ILE A 44 24.641 29.534 21.965 1.00 0.00 C ATOM 705 CG2 ILE A 44 23.251 31.404 21.023 1.00 0.00 C ATOM 706 CD1 ILE A 44 24.097 29.911 23.346 1.00 0.00 C ATOM 0 H ILE A 44 27.110 30.149 19.843 1.00 0.00 H new ATOM 0 HA ILE A 44 24.251 29.654 19.230 1.00 0.00 H new ATOM 0 HB ILE A 44 25.365 31.494 21.405 1.00 0.00 H new ATOM 0 HG12 ILE A 44 24.030 28.744 21.529 1.00 0.00 H new ATOM 0 HG13 ILE A 44 25.653 29.139 22.060 1.00 0.00 H new ATOM 0 HG21 ILE A 44 22.983 31.721 22.031 1.00 0.00 H new ATOM 0 HG22 ILE A 44 23.258 32.269 20.360 1.00 0.00 H new ATOM 0 HG23 ILE A 44 22.521 30.678 20.665 1.00 0.00 H new ATOM 0 HD11 ILE A 44 24.100 29.032 23.991 1.00 0.00 H new ATOM 0 HD12 ILE A 44 24.725 30.686 23.785 1.00 0.00 H new ATOM 0 HD13 ILE A 44 23.078 30.284 23.246 1.00 0.00 H new ATOM 718 N PHE A 45 23.999 31.846 18.054 1.00 0.00 N ATOM 719 CA PHE A 45 23.903 32.985 17.141 1.00 0.00 C ATOM 720 C PHE A 45 22.464 33.485 17.129 1.00 0.00 C ATOM 721 O PHE A 45 21.536 32.697 17.303 1.00 0.00 O ATOM 722 CB PHE A 45 24.301 32.556 15.727 1.00 0.00 C ATOM 723 CG PHE A 45 24.230 33.741 14.786 1.00 0.00 C ATOM 724 CD1 PHE A 45 25.151 34.790 14.908 1.00 0.00 C ATOM 725 CD2 PHE A 45 23.250 33.787 13.783 1.00 0.00 C ATOM 726 CE1 PHE A 45 25.090 35.882 14.033 1.00 0.00 C ATOM 727 CE2 PHE A 45 23.190 34.879 12.909 1.00 0.00 C ATOM 728 CZ PHE A 45 24.111 35.926 13.033 1.00 0.00 C ATOM 0 H PHE A 45 23.132 31.317 18.147 1.00 0.00 H new ATOM 0 HA PHE A 45 24.574 33.777 17.475 1.00 0.00 H new ATOM 0 HB2 PHE A 45 25.311 32.146 15.733 1.00 0.00 H new ATOM 0 HB3 PHE A 45 23.638 31.764 15.378 1.00 0.00 H new ATOM 0 HD1 PHE A 45 25.908 34.756 15.677 1.00 0.00 H new ATOM 0 HD2 PHE A 45 22.541 32.979 13.685 1.00 0.00 H new ATOM 0 HE1 PHE A 45 25.799 36.691 14.130 1.00 0.00 H new ATOM 0 HE2 PHE A 45 22.433 34.914 12.139 1.00 0.00 H new ATOM 0 HZ PHE A 45 24.066 36.767 12.357 1.00 0.00 H new ATOM 738 N ALA A 46 22.264 34.783 16.933 1.00 0.00 N ATOM 739 CA ALA A 46 20.907 35.318 16.925 1.00 0.00 C ATOM 740 C ALA A 46 20.161 34.807 18.155 1.00 0.00 C ATOM 741 O ALA A 46 18.955 34.559 18.118 1.00 0.00 O ATOM 742 CB ALA A 46 20.178 34.893 15.647 1.00 0.00 C ATOM 0 H ALA A 46 23.003 35.470 16.781 1.00 0.00 H new ATOM 0 HA ALA A 46 20.945 36.407 16.951 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.166 35.299 15.653 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.716 35.272 14.778 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.132 33.805 15.599 1.00 0.00 H new ATOM 748 N GLY A 47 20.911 34.670 19.244 1.00 0.00 N ATOM 749 CA GLY A 47 20.369 34.213 20.519 1.00 0.00 C ATOM 750 C GLY A 47 19.828 32.779 20.472 1.00 0.00 C ATOM 751 O GLY A 47 19.190 32.339 21.427 1.00 0.00 O ATOM 0 H GLY A 47 21.910 34.872 19.268 1.00 0.00 H new ATOM 0 HA2 GLY A 47 21.148 34.275 21.279 1.00 0.00 H new ATOM 0 HA3 GLY A 47 19.568 34.886 20.827 1.00 0.00 H new ATOM 755 N LYS A 48 20.085 32.045 19.382 1.00 0.00 N ATOM 756 CA LYS A 48 19.605 30.651 19.270 1.00 0.00 C ATOM 757 C LYS A 48 20.754 29.660 19.153 1.00 0.00 C ATOM 758 O LYS A 48 21.745 29.914 18.469 1.00 0.00 O ATOM 759 CB LYS A 48 18.702 30.488 18.047 1.00 0.00 C ATOM 760 CG LYS A 48 17.466 31.389 18.183 1.00 0.00 C ATOM 761 CD LYS A 48 16.376 30.632 18.946 1.00 0.00 C ATOM 762 CE LYS A 48 15.138 31.509 19.090 1.00 0.00 C ATOM 763 NZ LYS A 48 14.724 32.006 17.748 1.00 0.00 N ATOM 0 H LYS A 48 20.612 32.380 18.576 1.00 0.00 H new ATOM 0 HA LYS A 48 19.048 30.440 20.183 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.252 30.745 17.142 1.00 0.00 H new ATOM 0 HB3 LYS A 48 18.394 29.447 17.948 1.00 0.00 H new ATOM 0 HG2 LYS A 48 17.726 32.307 18.710 1.00 0.00 H new ATOM 0 HG3 LYS A 48 17.102 31.680 17.197 1.00 0.00 H new ATOM 0 HD2 LYS A 48 16.122 29.713 18.418 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.744 30.342 19.930 1.00 0.00 H new ATOM 0 HE2 LYS A 48 14.327 30.940 19.545 1.00 0.00 H new ATOM 0 HE3 LYS A 48 15.349 32.349 19.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.719 32.274 17.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.298 32.835 17.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.865 31.256 17.041 1.00 0.00 H new ATOM 777 N GLN A 49 20.596 28.517 19.817 1.00 0.00 N ATOM 778 CA GLN A 49 21.599 27.466 19.788 1.00 0.00 C ATOM 779 C GLN A 49 21.480 26.670 18.491 1.00 0.00 C ATOM 780 O GLN A 49 20.381 26.287 18.090 1.00 0.00 O ATOM 781 CB GLN A 49 21.398 26.532 20.984 1.00 0.00 C ATOM 782 CG GLN A 49 22.585 25.574 21.099 1.00 0.00 C ATOM 783 CD GLN A 49 22.281 24.487 22.126 1.00 0.00 C ATOM 784 OE1 GLN A 49 21.577 24.735 23.106 1.00 0.00 O ATOM 785 NE2 GLN A 49 22.772 23.289 21.959 1.00 0.00 N ATOM 0 H GLN A 49 19.776 28.299 20.384 1.00 0.00 H new ATOM 0 HA GLN A 49 22.590 27.916 19.841 1.00 0.00 H new ATOM 0 HB2 GLN A 49 21.299 27.115 21.900 1.00 0.00 H new ATOM 0 HB3 GLN A 49 20.473 25.967 20.865 1.00 0.00 H new ATOM 0 HG2 GLN A 49 22.793 25.122 20.129 1.00 0.00 H new ATOM 0 HG3 GLN A 49 23.479 26.124 21.393 1.00 0.00 H new ATOM 0 HE21 GLN A 49 23.355 23.085 21.147 1.00 0.00 H new ATOM 0 HE22 GLN A 49 22.573 22.557 22.640 1.00 0.00 H new ATOM 794 N LEU A 50 22.608 26.430 17.834 1.00 0.00 N ATOM 795 CA LEU A 50 22.599 25.683 16.577 1.00 0.00 C ATOM 796 C LEU A 50 22.363 24.193 16.824 1.00 0.00 C ATOM 797 O LEU A 50 23.073 23.559 17.605 1.00 0.00 O ATOM 798 CB LEU A 50 23.925 25.886 15.840 1.00 0.00 C ATOM 799 CG LEU A 50 24.272 27.379 15.814 1.00 0.00 C ATOM 800 CD1 LEU A 50 25.539 27.597 14.985 1.00 0.00 C ATOM 801 CD2 LEU A 50 23.112 28.170 15.192 1.00 0.00 C ATOM 0 H LEU A 50 23.531 26.736 18.143 1.00 0.00 H new ATOM 0 HA LEU A 50 21.781 26.060 15.963 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.718 25.326 16.335 1.00 0.00 H new ATOM 0 HB3 LEU A 50 23.851 25.501 14.823 1.00 0.00 H new ATOM 0 HG LEU A 50 24.440 27.726 16.834 1.00 0.00 H new ATOM 0 HD11 LEU A 50 25.784 28.659 14.968 1.00 0.00 H new ATOM 0 HD12 LEU A 50 26.365 27.041 15.429 1.00 0.00 H new ATOM 0 HD13 LEU A 50 25.372 27.246 13.966 1.00 0.00 H new ATOM 0 HD21 LEU A 50 23.363 29.231 15.175 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.939 27.822 14.174 1.00 0.00 H new ATOM 0 HD23 LEU A 50 22.210 28.020 15.785 1.00 0.00 H new ATOM 813 N GLU A 51 21.339 23.649 16.161 1.00 0.00 N ATOM 814 CA GLU A 51 20.984 22.237 16.314 1.00 0.00 C ATOM 815 C GLU A 51 21.770 21.352 15.351 1.00 0.00 C ATOM 816 O GLU A 51 21.978 21.692 14.181 1.00 0.00 O ATOM 817 CB GLU A 51 19.480 22.048 16.061 1.00 0.00 C ATOM 818 CG GLU A 51 18.696 22.378 17.333 1.00 0.00 C ATOM 819 CD GLU A 51 17.202 22.187 17.092 1.00 0.00 C ATOM 820 OE1 GLU A 51 16.844 21.794 15.994 1.00 0.00 O ATOM 821 OE2 GLU A 51 16.438 22.438 18.010 1.00 0.00 O ATOM 0 H GLU A 51 20.742 24.165 15.514 1.00 0.00 H new ATOM 0 HA GLU A 51 21.234 21.941 17.333 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.155 22.693 15.245 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.279 21.021 15.755 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.026 21.736 18.150 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.895 23.406 17.636 1.00 0.00 H new ATOM 828 N ASP A 52 22.185 20.202 15.857 1.00 0.00 N ATOM 829 CA ASP A 52 22.932 19.252 15.060 1.00 0.00 C ATOM 830 C ASP A 52 22.058 18.675 13.949 1.00 0.00 C ATOM 831 O ASP A 52 20.904 18.314 14.179 1.00 0.00 O ATOM 832 CB ASP A 52 23.442 18.117 15.951 1.00 0.00 C ATOM 833 CG ASP A 52 24.497 18.646 16.916 1.00 0.00 C ATOM 834 OD1 ASP A 52 24.952 19.759 16.714 1.00 0.00 O ATOM 835 OD2 ASP A 52 24.834 17.930 17.845 1.00 0.00 O ATOM 0 H ASP A 52 22.015 19.907 16.818 1.00 0.00 H new ATOM 0 HA ASP A 52 23.777 19.770 14.607 1.00 0.00 H new ATOM 0 HB2 ASP A 52 22.613 17.681 16.509 1.00 0.00 H new ATOM 0 HB3 ASP A 52 23.865 17.323 15.336 1.00 0.00 H new ATOM 840 N GLY A 53 22.621 18.576 12.746 1.00 0.00 N ATOM 841 CA GLY A 53 21.893 18.022 11.602 1.00 0.00 C ATOM 842 C GLY A 53 21.368 19.117 10.674 1.00 0.00 C ATOM 843 O GLY A 53 20.957 18.832 9.549 1.00 0.00 O ATOM 0 H GLY A 53 23.575 18.870 12.537 1.00 0.00 H new ATOM 0 HA2 GLY A 53 22.550 17.356 11.042 1.00 0.00 H new ATOM 0 HA3 GLY A 53 21.058 17.419 11.960 1.00 0.00 H new ATOM 847 N ARG A 54 21.392 20.373 11.133 1.00 0.00 N ATOM 848 CA ARG A 54 20.921 21.485 10.298 1.00 0.00 C ATOM 849 C ARG A 54 22.092 22.153 9.576 1.00 0.00 C ATOM 850 O ARG A 54 23.239 22.052 10.006 1.00 0.00 O ATOM 851 CB ARG A 54 20.199 22.523 11.159 1.00 0.00 C ATOM 852 CG ARG A 54 18.859 21.955 11.634 1.00 0.00 C ATOM 853 CD ARG A 54 18.028 23.072 12.267 1.00 0.00 C ATOM 854 NE ARG A 54 16.713 22.571 12.648 1.00 0.00 N ATOM 855 CZ ARG A 54 15.733 23.404 12.984 1.00 0.00 C ATOM 856 NH1 ARG A 54 14.574 22.933 13.358 1.00 0.00 N ATOM 857 NH2 ARG A 54 15.929 24.693 12.931 1.00 0.00 N ATOM 0 H ARG A 54 21.725 20.643 12.059 1.00 0.00 H new ATOM 0 HA ARG A 54 20.230 21.083 9.557 1.00 0.00 H new ATOM 0 HB2 ARG A 54 20.816 22.791 12.017 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.036 23.436 10.586 1.00 0.00 H new ATOM 0 HG2 ARG A 54 18.319 21.517 10.794 1.00 0.00 H new ATOM 0 HG3 ARG A 54 19.026 21.157 12.357 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.543 23.465 13.144 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.920 23.898 11.564 1.00 0.00 H new ATOM 0 HE ARG A 54 16.542 21.565 12.657 1.00 0.00 H new ATOM 0 HH11 ARG A 54 14.420 21.925 13.393 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.823 23.573 13.616 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.833 25.060 12.632 1.00 0.00 H new ATOM 0 HH22 ARG A 54 15.178 25.334 13.188 1.00 0.00 H new ATOM 871 N THR A 55 21.789 22.838 8.473 1.00 0.00 N ATOM 872 CA THR A 55 22.816 23.533 7.689 1.00 0.00 C ATOM 873 C THR A 55 22.819 25.015 8.044 1.00 0.00 C ATOM 874 O THR A 55 21.841 25.522 8.588 1.00 0.00 O ATOM 875 CB THR A 55 22.526 23.371 6.193 1.00 0.00 C ATOM 876 OG1 THR A 55 21.152 23.638 5.948 1.00 0.00 O ATOM 877 CG2 THR A 55 22.855 21.941 5.754 1.00 0.00 C ATOM 0 H THR A 55 20.843 22.928 8.101 1.00 0.00 H new ATOM 0 HA THR A 55 23.790 23.101 7.918 1.00 0.00 H new ATOM 0 HB THR A 55 23.141 24.071 5.628 1.00 0.00 H new ATOM 0 HG1 THR A 55 20.835 24.322 6.574 1.00 0.00 H new ATOM 0 HG21 THR A 55 22.647 21.830 4.690 1.00 0.00 H new ATOM 0 HG22 THR A 55 23.909 21.736 5.941 1.00 0.00 H new ATOM 0 HG23 THR A 55 22.243 21.237 6.318 1.00 0.00 H new ATOM 885 N LEU A 56 23.905 25.717 7.731 1.00 0.00 N ATOM 886 CA LEU A 56 23.965 27.143 8.036 1.00 0.00 C ATOM 887 C LEU A 56 22.827 27.876 7.317 1.00 0.00 C ATOM 888 O LEU A 56 22.211 28.772 7.891 1.00 0.00 O ATOM 889 CB LEU A 56 25.340 27.738 7.637 1.00 0.00 C ATOM 890 CG LEU A 56 26.310 27.723 8.836 1.00 0.00 C ATOM 891 CD1 LEU A 56 26.657 26.276 9.201 1.00 0.00 C ATOM 892 CD2 LEU A 56 27.591 28.484 8.465 1.00 0.00 C ATOM 0 H LEU A 56 24.735 25.334 7.278 1.00 0.00 H new ATOM 0 HA LEU A 56 23.846 27.275 9.111 1.00 0.00 H new ATOM 0 HB2 LEU A 56 25.764 27.165 6.813 1.00 0.00 H new ATOM 0 HB3 LEU A 56 25.210 28.760 7.281 1.00 0.00 H new ATOM 0 HG LEU A 56 25.837 28.204 9.692 1.00 0.00 H new ATOM 0 HD11 LEU A 56 27.342 26.269 10.048 1.00 0.00 H new ATOM 0 HD12 LEU A 56 25.746 25.739 9.467 1.00 0.00 H new ATOM 0 HD13 LEU A 56 27.130 25.789 8.348 1.00 0.00 H new ATOM 0 HD21 LEU A 56 28.278 28.475 9.311 1.00 0.00 H new ATOM 0 HD22 LEU A 56 28.064 28.004 7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 56 27.342 29.514 8.212 1.00 0.00 H new ATOM 904 N SER A 57 22.559 27.509 6.058 1.00 0.00 N ATOM 905 CA SER A 57 21.496 28.166 5.298 1.00 0.00 C ATOM 906 C SER A 57 20.236 28.280 6.141 1.00 0.00 C ATOM 907 O SER A 57 19.513 29.274 6.061 1.00 0.00 O ATOM 908 CB SER A 57 21.181 27.381 4.024 1.00 0.00 C ATOM 909 OG SER A 57 22.309 27.413 3.159 1.00 0.00 O ATOM 0 H SER A 57 23.055 26.774 5.554 1.00 0.00 H new ATOM 0 HA SER A 57 21.842 29.163 5.027 1.00 0.00 H new ATOM 0 HB2 SER A 57 20.928 26.350 4.272 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.313 27.811 3.524 1.00 0.00 H new ATOM 0 HG SER A 57 23.100 27.095 3.642 1.00 0.00 H new ATOM 915 N ASP A 58 19.985 27.267 6.965 1.00 0.00 N ATOM 916 CA ASP A 58 18.817 27.283 7.829 1.00 0.00 C ATOM 917 C ASP A 58 18.813 28.573 8.638 1.00 0.00 C ATOM 918 O ASP A 58 17.786 29.235 8.779 1.00 0.00 O ATOM 919 CB ASP A 58 18.852 26.079 8.778 1.00 0.00 C ATOM 920 CG ASP A 58 18.884 24.778 7.980 1.00 0.00 C ATOM 921 OD1 ASP A 58 19.183 24.837 6.799 1.00 0.00 O ATOM 922 OD2 ASP A 58 18.610 23.741 8.564 1.00 0.00 O ATOM 0 H ASP A 58 20.569 26.435 7.050 1.00 0.00 H new ATOM 0 HA ASP A 58 17.914 27.227 7.221 1.00 0.00 H new ATOM 0 HB2 ASP A 58 19.729 26.140 9.422 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.977 26.094 9.428 1.00 0.00 H new ATOM 927 N TYR A 59 19.992 28.924 9.149 1.00 0.00 N ATOM 928 CA TYR A 59 20.178 30.140 9.940 1.00 0.00 C ATOM 929 C TYR A 59 20.917 31.187 9.105 1.00 0.00 C ATOM 930 O TYR A 59 22.109 31.042 8.882 1.00 0.00 O ATOM 931 CB TYR A 59 21.022 29.807 11.172 1.00 0.00 C ATOM 932 CG TYR A 59 20.369 28.694 11.957 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.844 27.378 11.847 1.00 0.00 C ATOM 934 CD2 TYR A 59 19.292 28.979 12.801 1.00 0.00 C ATOM 935 CE1 TYR A 59 20.238 26.352 12.583 1.00 0.00 C ATOM 936 CE2 TYR A 59 18.686 27.953 13.536 1.00 0.00 C ATOM 937 CZ TYR A 59 19.159 26.640 13.427 1.00 0.00 C ATOM 938 OH TYR A 59 18.561 25.629 14.152 1.00 0.00 O ATOM 0 H TYR A 59 20.843 28.375 9.027 1.00 0.00 H new ATOM 0 HA TYR A 59 19.206 30.530 10.242 1.00 0.00 H new ATOM 0 HB2 TYR A 59 22.025 29.509 10.867 1.00 0.00 H new ATOM 0 HB3 TYR A 59 21.130 30.692 11.800 1.00 0.00 H new ATOM 0 HD1 TYR A 59 21.676 27.157 11.195 1.00 0.00 H new ATOM 0 HD2 TYR A 59 18.927 29.992 12.886 1.00 0.00 H new ATOM 0 HE1 TYR A 59 20.603 25.339 12.499 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.853 28.175 14.187 1.00 0.00 H new ATOM 0 HH TYR A 59 17.829 26.000 14.688 1.00 0.00 H new ATOM 948 N ASN A 60 20.187 32.192 8.598 1.00 0.00 N ATOM 949 CA ASN A 60 20.773 33.232 7.726 1.00 0.00 C ATOM 950 C ASN A 60 22.087 33.827 8.266 1.00 0.00 C ATOM 951 O ASN A 60 22.156 35.013 8.594 1.00 0.00 O ATOM 952 CB ASN A 60 19.760 34.363 7.504 1.00 0.00 C ATOM 953 CG ASN A 60 20.225 35.272 6.366 1.00 0.00 C ATOM 954 OD1 ASN A 60 21.058 34.872 5.552 1.00 0.00 O ATOM 955 ND2 ASN A 60 19.730 36.476 6.257 1.00 0.00 N ATOM 0 H ASN A 60 19.189 32.310 8.775 1.00 0.00 H new ATOM 0 HA ASN A 60 21.013 32.736 6.786 1.00 0.00 H new ATOM 0 HB2 ASN A 60 18.782 33.944 7.268 1.00 0.00 H new ATOM 0 HB3 ASN A 60 19.646 34.944 8.419 1.00 0.00 H new ATOM 0 HD21 ASN A 60 20.033 37.085 5.497 1.00 0.00 H new ATOM 0 HD22 ASN A 60 19.040 36.807 6.932 1.00 0.00 H new ATOM 962 N ILE A 61 23.124 32.994 8.320 1.00 0.00 N ATOM 963 CA ILE A 61 24.451 33.406 8.775 1.00 0.00 C ATOM 964 C ILE A 61 25.308 33.756 7.557 1.00 0.00 C ATOM 965 O ILE A 61 25.821 32.863 6.886 1.00 0.00 O ATOM 966 CB ILE A 61 25.116 32.244 9.528 1.00 0.00 C ATOM 967 CG1 ILE A 61 24.380 31.976 10.843 1.00 0.00 C ATOM 968 CG2 ILE A 61 26.581 32.583 9.826 1.00 0.00 C ATOM 969 CD1 ILE A 61 24.881 30.656 11.437 1.00 0.00 C ATOM 0 H ILE A 61 23.068 32.012 8.049 1.00 0.00 H new ATOM 0 HA ILE A 61 24.360 34.270 9.434 1.00 0.00 H new ATOM 0 HB ILE A 61 25.069 31.353 8.902 1.00 0.00 H new ATOM 0 HG12 ILE A 61 24.552 32.793 11.544 1.00 0.00 H new ATOM 0 HG13 ILE A 61 23.305 31.926 10.669 1.00 0.00 H new ATOM 0 HG21 ILE A 61 27.045 31.754 10.360 1.00 0.00 H new ATOM 0 HG22 ILE A 61 27.112 32.754 8.890 1.00 0.00 H new ATOM 0 HG23 ILE A 61 26.629 33.482 10.440 1.00 0.00 H new ATOM 0 HD11 ILE A 61 24.361 30.458 12.374 1.00 0.00 H new ATOM 0 HD12 ILE A 61 24.686 29.844 10.736 1.00 0.00 H new ATOM 0 HD13 ILE A 61 25.953 30.725 11.624 1.00 0.00 H new ATOM 981 N GLN A 62 25.447 35.045 7.253 1.00 0.00 N ATOM 982 CA GLN A 62 26.229 35.455 6.082 1.00 0.00 C ATOM 983 C GLN A 62 27.722 35.532 6.379 1.00 0.00 C ATOM 984 O GLN A 62 28.151 35.443 7.529 1.00 0.00 O ATOM 985 CB GLN A 62 25.744 36.806 5.561 1.00 0.00 C ATOM 986 CG GLN A 62 24.350 36.649 4.955 1.00 0.00 C ATOM 987 CD GLN A 62 24.439 35.893 3.634 1.00 0.00 C ATOM 988 OE1 GLN A 62 25.349 36.133 2.840 1.00 0.00 O ATOM 989 NE2 GLN A 62 23.543 34.988 3.350 1.00 0.00 N ATOM 0 H GLN A 62 25.039 35.812 7.787 1.00 0.00 H new ATOM 0 HA GLN A 62 26.079 34.690 5.321 1.00 0.00 H new ATOM 0 HB2 GLN A 62 25.719 37.533 6.373 1.00 0.00 H new ATOM 0 HB3 GLN A 62 26.437 37.189 4.811 1.00 0.00 H new ATOM 0 HG2 GLN A 62 23.701 36.113 5.648 1.00 0.00 H new ATOM 0 HG3 GLN A 62 23.902 37.629 4.793 1.00 0.00 H new ATOM 0 HE21 GLN A 62 22.790 34.791 4.009 1.00 0.00 H new ATOM 0 HE22 GLN A 62 23.595 34.477 2.469 1.00 0.00 H new ATOM 998 N LYS A 63 28.499 35.682 5.310 1.00 0.00 N ATOM 999 CA LYS A 63 29.949 35.750 5.426 1.00 0.00 C ATOM 1000 C LYS A 63 30.396 36.885 6.341 1.00 0.00 C ATOM 1001 O LYS A 63 29.761 37.939 6.418 1.00 0.00 O ATOM 1002 CB LYS A 63 30.601 35.891 4.043 1.00 0.00 C ATOM 1003 CG LYS A 63 30.119 37.157 3.324 1.00 0.00 C ATOM 1004 CD LYS A 63 30.882 37.285 1.999 1.00 0.00 C ATOM 1005 CE LYS A 63 30.536 38.609 1.314 1.00 0.00 C ATOM 1006 NZ LYS A 63 31.365 38.762 0.082 1.00 0.00 N ATOM 0 H LYS A 63 28.148 35.759 4.356 1.00 0.00 H new ATOM 0 HA LYS A 63 30.279 34.814 5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.685 35.923 4.152 1.00 0.00 H new ATOM 0 HB3 LYS A 63 30.367 35.015 3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 63 29.046 37.103 3.139 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.291 38.035 3.947 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.955 37.232 2.183 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.629 36.451 1.344 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.477 38.633 1.058 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.718 39.441 1.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 31.131 39.662 -0.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 32.373 38.757 0.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 31.170 37.974 -0.568 1.00 0.00 H new ATOM 1020 N GLU A 64 31.514 36.645 7.022 1.00 0.00 N ATOM 1021 CA GLU A 64 32.100 37.620 7.935 1.00 0.00 C ATOM 1022 C GLU A 64 31.135 38.017 9.048 1.00 0.00 C ATOM 1023 O GLU A 64 30.674 39.158 9.109 1.00 0.00 O ATOM 1024 CB GLU A 64 32.557 38.854 7.158 1.00 0.00 C ATOM 1025 CG GLU A 64 33.773 38.479 6.307 1.00 0.00 C ATOM 1026 CD GLU A 64 34.249 39.680 5.501 1.00 0.00 C ATOM 1027 OE1 GLU A 64 33.526 40.096 4.611 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.332 40.165 5.783 1.00 0.00 O ATOM 0 H GLU A 64 32.037 35.772 6.956 1.00 0.00 H new ATOM 0 HA GLU A 64 32.962 37.152 8.410 1.00 0.00 H new ATOM 0 HB2 GLU A 64 31.750 39.220 6.523 1.00 0.00 H new ATOM 0 HB3 GLU A 64 32.812 39.660 7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.578 38.122 6.949 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.516 37.661 5.634 1.00 0.00 H new HETATM 1035 N SEP A 65 30.862 37.072 9.951 1.00 0.00 N HETATM 1036 CA SEP A 65 29.981 37.314 11.100 1.00 0.00 C HETATM 1037 CB SEP A 65 28.638 36.605 10.894 1.00 0.00 C HETATM 1038 OG SEP A 65 28.062 37.030 9.662 1.00 0.00 O HETATM 1039 C SEP A 65 30.663 36.773 12.354 1.00 0.00 C HETATM 1040 O SEP A 65 31.520 35.896 12.255 1.00 0.00 O HETATM 1041 P SEP A 65 27.097 38.228 9.623 1.00 0.00 P HETATM 1042 O1P SEP A 65 27.415 39.057 10.915 1.00 0.00 O HETATM 1043 O2P SEP A 65 25.660 37.602 9.628 1.00 0.00 O HETATM 1044 O3P SEP A 65 27.438 38.990 8.298 1.00 0.00 O HETATM 0 HB3 SEP A 65 28.782 35.525 10.887 1.00 0.00 H new HETATM 0 HB2 SEP A 65 27.964 36.832 11.720 1.00 0.00 H new HETATM 0 HA SEP A 65 29.795 38.383 11.204 1.00 0.00 H new ATOM 1049 N THR A 66 30.294 37.276 13.533 1.00 0.00 N ATOM 1050 CA THR A 66 30.907 36.795 14.777 1.00 0.00 C ATOM 1051 C THR A 66 29.997 35.784 15.472 1.00 0.00 C ATOM 1052 O THR A 66 28.836 36.074 15.764 1.00 0.00 O ATOM 1053 CB THR A 66 31.181 37.968 15.718 1.00 0.00 C ATOM 1054 OG1 THR A 66 31.978 38.931 15.042 1.00 0.00 O ATOM 1055 CG2 THR A 66 31.927 37.463 16.956 1.00 0.00 C ATOM 0 H THR A 66 29.588 38.002 13.655 1.00 0.00 H new ATOM 0 HA THR A 66 31.848 36.306 14.525 1.00 0.00 H new ATOM 0 HB THR A 66 30.239 38.423 16.025 1.00 0.00 H new ATOM 0 HG1 THR A 66 32.156 39.687 15.640 1.00 0.00 H new ATOM 0 HG21 THR A 66 32.123 38.298 17.628 1.00 0.00 H new ATOM 0 HG22 THR A 66 31.318 36.719 17.470 1.00 0.00 H new ATOM 0 HG23 THR A 66 32.872 37.012 16.653 1.00 0.00 H new ATOM 1063 N LEU A 67 30.541 34.596 15.739 1.00 0.00 N ATOM 1064 CA LEU A 67 29.788 33.532 16.407 1.00 0.00 C ATOM 1065 C LEU A 67 30.152 33.498 17.890 1.00 0.00 C ATOM 1066 O LEU A 67 31.283 33.818 18.258 1.00 0.00 O ATOM 1067 CB LEU A 67 30.132 32.176 15.764 1.00 0.00 C ATOM 1068 CG LEU A 67 29.321 31.978 14.472 1.00 0.00 C ATOM 1069 CD1 LEU A 67 27.817 31.831 14.796 1.00 0.00 C ATOM 1070 CD2 LEU A 67 29.545 33.180 13.539 1.00 0.00 C ATOM 0 H LEU A 67 31.501 34.346 15.503 1.00 0.00 H new ATOM 0 HA LEU A 67 28.721 33.725 16.301 1.00 0.00 H new ATOM 0 HB2 LEU A 67 31.198 32.131 15.543 1.00 0.00 H new ATOM 0 HB3 LEU A 67 29.917 31.369 16.464 1.00 0.00 H new ATOM 0 HG LEU A 67 29.657 31.067 13.977 1.00 0.00 H new ATOM 0 HD11 LEU A 67 27.257 31.692 13.871 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.667 30.968 15.444 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.464 32.730 15.302 1.00 0.00 H new ATOM 0 HD21 LEU A 67 28.971 33.041 12.623 1.00 0.00 H new ATOM 0 HD22 LEU A 67 29.219 34.093 14.037 1.00 0.00 H new ATOM 0 HD23 LEU A 67 30.604 33.259 13.295 1.00 0.00 H new ATOM 1082 N HIS A 68 29.201 33.112 18.747 1.00 0.00 N ATOM 1083 CA HIS A 68 29.466 33.048 20.183 1.00 0.00 C ATOM 1084 C HIS A 68 29.832 31.618 20.593 1.00 0.00 C ATOM 1085 O HIS A 68 29.046 30.692 20.391 1.00 0.00 O ATOM 1086 CB HIS A 68 28.228 33.500 20.961 1.00 0.00 C ATOM 1087 CG HIS A 68 27.943 34.947 20.657 1.00 0.00 C ATOM 1088 ND1 HIS A 68 27.213 35.339 19.545 1.00 0.00 N ATOM 1089 CD2 HIS A 68 28.283 36.107 21.310 1.00 0.00 C ATOM 1090 CE1 HIS A 68 27.138 36.683 19.562 1.00 0.00 C ATOM 1091 NE2 HIS A 68 27.774 37.201 20.616 1.00 0.00 N ATOM 0 H HIS A 68 28.255 32.843 18.475 1.00 0.00 H new ATOM 0 HA HIS A 68 30.302 33.709 20.413 1.00 0.00 H new ATOM 0 HB2 HIS A 68 27.370 32.885 20.689 1.00 0.00 H new ATOM 0 HB3 HIS A 68 28.389 33.367 22.031 1.00 0.00 H new ATOM 0 HD2 HIS A 68 28.858 36.162 22.223 1.00 0.00 H new ATOM 0 HE1 HIS A 68 26.626 37.271 18.814 1.00 0.00 H new ATOM 0 HE2 HIS A 68 27.867 38.187 20.860 1.00 0.00 H new ATOM 1100 N LEU A 69 31.025 31.438 21.173 1.00 0.00 N ATOM 1101 CA LEU A 69 31.477 30.133 21.611 1.00 0.00 C ATOM 1102 C LEU A 69 31.425 30.091 23.124 1.00 0.00 C ATOM 1103 O LEU A 69 32.246 30.698 23.813 1.00 0.00 O ATOM 1104 CB LEU A 69 32.905 29.884 21.119 1.00 0.00 C ATOM 1105 CG LEU A 69 33.297 28.406 21.333 1.00 0.00 C ATOM 1106 CD1 LEU A 69 34.608 28.111 20.596 1.00 0.00 C ATOM 1107 CD2 LEU A 69 33.479 28.114 22.837 1.00 0.00 C ATOM 0 H LEU A 69 31.691 32.191 21.346 1.00 0.00 H new ATOM 0 HA LEU A 69 30.834 29.355 21.200 1.00 0.00 H new ATOM 0 HB2 LEU A 69 32.982 30.138 20.062 1.00 0.00 H new ATOM 0 HB3 LEU A 69 33.599 30.532 21.654 1.00 0.00 H new ATOM 0 HG LEU A 69 32.503 27.771 20.941 1.00 0.00 H new ATOM 0 HD11 LEU A 69 34.884 27.067 20.748 1.00 0.00 H new ATOM 0 HD12 LEU A 69 34.477 28.301 19.531 1.00 0.00 H new ATOM 0 HD13 LEU A 69 35.397 28.755 20.985 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.755 27.068 22.974 1.00 0.00 H new ATOM 0 HD22 LEU A 69 34.265 28.753 23.239 1.00 0.00 H new ATOM 0 HD23 LEU A 69 32.545 28.314 23.362 1.00 0.00 H new ATOM 1119 N VAL A 70 30.449 29.362 23.625 1.00 0.00 N ATOM 1120 CA VAL A 70 30.254 29.207 25.063 1.00 0.00 C ATOM 1121 C VAL A 70 30.810 27.863 25.522 1.00 0.00 C ATOM 1122 O VAL A 70 30.651 26.848 24.842 1.00 0.00 O ATOM 1123 CB VAL A 70 28.760 29.288 25.385 1.00 0.00 C ATOM 1124 CG1 VAL A 70 28.553 29.196 26.897 1.00 0.00 C ATOM 1125 CG2 VAL A 70 28.204 30.621 24.876 1.00 0.00 C ATOM 0 H VAL A 70 29.768 28.860 23.055 1.00 0.00 H new ATOM 0 HA VAL A 70 30.782 30.004 25.586 1.00 0.00 H new ATOM 0 HB VAL A 70 28.240 28.463 24.899 1.00 0.00 H new ATOM 0 HG11 VAL A 70 27.488 29.254 27.123 1.00 0.00 H new ATOM 0 HG12 VAL A 70 28.950 28.249 27.262 1.00 0.00 H new ATOM 0 HG13 VAL A 70 29.073 30.020 27.386 1.00 0.00 H new ATOM 0 HG21 VAL A 70 27.140 30.682 25.104 1.00 0.00 H new ATOM 0 HG22 VAL A 70 28.727 31.443 25.364 1.00 0.00 H new ATOM 0 HG23 VAL A 70 28.349 30.688 23.798 1.00 0.00 H new ATOM 1135 N LEU A 71 31.474 27.868 26.672 1.00 0.00 N ATOM 1136 CA LEU A 71 32.061 26.648 27.213 1.00 0.00 C ATOM 1137 C LEU A 71 30.994 25.789 27.876 1.00 0.00 C ATOM 1138 O LEU A 71 29.807 26.113 27.840 1.00 0.00 O ATOM 1139 CB LEU A 71 33.155 26.990 28.230 1.00 0.00 C ATOM 1140 CG LEU A 71 33.969 28.201 27.741 1.00 0.00 C ATOM 1141 CD1 LEU A 71 35.214 28.367 28.618 1.00 0.00 C ATOM 1142 CD2 LEU A 71 34.400 27.991 26.280 1.00 0.00 C ATOM 0 H LEU A 71 31.619 28.699 27.245 1.00 0.00 H new ATOM 0 HA LEU A 71 32.502 26.087 26.389 1.00 0.00 H new ATOM 0 HB2 LEU A 71 32.706 27.210 29.199 1.00 0.00 H new ATOM 0 HB3 LEU A 71 33.813 26.132 28.371 1.00 0.00 H new ATOM 0 HG LEU A 71 33.350 29.096 27.807 1.00 0.00 H new ATOM 0 HD11 LEU A 71 35.791 29.225 28.272 1.00 0.00 H new ATOM 0 HD12 LEU A 71 34.911 28.527 29.653 1.00 0.00 H new ATOM 0 HD13 LEU A 71 35.827 27.468 28.554 1.00 0.00 H new ATOM 0 HD21 LEU A 71 34.975 28.853 25.943 1.00 0.00 H new ATOM 0 HD22 LEU A 71 35.015 27.094 26.207 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.516 27.877 25.653 1.00 0.00 H new ATOM 1154 N ARG A 72 31.432 24.694 28.482 1.00 0.00 N ATOM 1155 CA ARG A 72 30.512 23.790 29.160 1.00 0.00 C ATOM 1156 C ARG A 72 29.810 24.515 30.302 1.00 0.00 C ATOM 1157 O ARG A 72 28.622 24.306 30.548 1.00 0.00 O ATOM 1158 CB ARG A 72 31.275 22.583 29.705 1.00 0.00 C ATOM 1159 CG ARG A 72 30.285 21.559 30.260 1.00 0.00 C ATOM 1160 CD ARG A 72 31.009 20.237 30.514 1.00 0.00 C ATOM 1161 NE ARG A 72 32.162 20.451 31.381 1.00 0.00 N ATOM 1162 CZ ARG A 72 32.019 20.583 32.695 1.00 0.00 C ATOM 1163 NH1 ARG A 72 33.066 20.771 33.450 1.00 0.00 N ATOM 1164 NH2 ARG A 72 30.830 20.526 33.231 1.00 0.00 N ATOM 0 H ARG A 72 32.411 24.411 28.518 1.00 0.00 H new ATOM 0 HA ARG A 72 29.764 23.448 28.445 1.00 0.00 H new ATOM 0 HB2 ARG A 72 31.875 22.132 28.915 1.00 0.00 H new ATOM 0 HB3 ARG A 72 31.964 22.899 30.488 1.00 0.00 H new ATOM 0 HG2 ARG A 72 29.844 21.928 31.186 1.00 0.00 H new ATOM 0 HG3 ARG A 72 29.467 21.409 29.555 1.00 0.00 H new ATOM 0 HD2 ARG A 72 30.326 19.523 30.975 1.00 0.00 H new ATOM 0 HD3 ARG A 72 31.332 19.804 29.568 1.00 0.00 H new ATOM 0 HE ARG A 72 33.095 20.500 30.971 1.00 0.00 H new ATOM 0 HH11 ARG A 72 33.995 20.817 33.031 1.00 0.00 H new ATOM 0 HH12 ARG A 72 32.956 20.872 34.459 1.00 0.00 H new ATOM 0 HH21 ARG A 72 30.011 20.380 32.641 1.00 0.00 H new ATOM 0 HH22 ARG A 72 30.720 20.627 34.240 1.00 0.00 H new ATOM 1178 N LEU A 73 30.552 25.374 30.993 1.00 0.00 N ATOM 1179 CA LEU A 73 29.988 26.130 32.104 1.00 0.00 C ATOM 1180 C LEU A 73 28.859 27.031 31.605 1.00 0.00 C ATOM 1181 O LEU A 73 28.924 27.575 30.501 1.00 0.00 O ATOM 1182 CB LEU A 73 31.078 26.983 32.770 1.00 0.00 C ATOM 1183 CG LEU A 73 31.953 26.103 33.675 1.00 0.00 C ATOM 1184 CD1 LEU A 73 32.669 25.037 32.837 1.00 0.00 C ATOM 1185 CD2 LEU A 73 32.996 26.974 34.384 1.00 0.00 C ATOM 0 H LEU A 73 31.537 25.563 30.805 1.00 0.00 H new ATOM 0 HA LEU A 73 29.588 25.430 32.837 1.00 0.00 H new ATOM 0 HB2 LEU A 73 31.694 27.461 32.008 1.00 0.00 H new ATOM 0 HB3 LEU A 73 30.620 27.780 33.356 1.00 0.00 H new ATOM 0 HG LEU A 73 31.319 25.613 34.414 1.00 0.00 H new ATOM 0 HD11 LEU A 73 33.287 24.418 33.487 1.00 0.00 H new ATOM 0 HD12 LEU A 73 31.930 24.412 32.335 1.00 0.00 H new ATOM 0 HD13 LEU A 73 33.299 25.523 32.092 1.00 0.00 H new ATOM 0 HD21 LEU A 73 33.616 26.349 35.026 1.00 0.00 H new ATOM 0 HD22 LEU A 73 33.624 27.467 33.642 1.00 0.00 H new ATOM 0 HD23 LEU A 73 32.491 27.727 34.989 1.00 0.00 H new ATOM 1197 N ARG A 74 27.825 27.178 32.425 1.00 0.00 N ATOM 1198 CA ARG A 74 26.682 28.009 32.064 1.00 0.00 C ATOM 1199 C ARG A 74 27.102 29.467 31.908 1.00 0.00 C ATOM 1200 O ARG A 74 27.742 30.037 32.791 1.00 0.00 O ATOM 1201 CB ARG A 74 25.604 27.899 33.145 1.00 0.00 C ATOM 1202 CG ARG A 74 25.018 26.486 33.142 1.00 0.00 C ATOM 1203 CD ARG A 74 24.050 26.332 34.317 1.00 0.00 C ATOM 1204 NE ARG A 74 22.897 27.207 34.139 1.00 0.00 N ATOM 1205 CZ ARG A 74 22.046 27.433 35.135 1.00 0.00 C ATOM 1206 NH1 ARG A 74 21.020 28.218 34.952 1.00 0.00 N ATOM 1207 NH2 ARG A 74 22.238 26.870 36.297 1.00 0.00 N ATOM 0 H ARG A 74 27.754 26.735 33.341 1.00 0.00 H new ATOM 0 HA ARG A 74 26.285 27.657 31.112 1.00 0.00 H new ATOM 0 HB2 ARG A 74 26.030 28.125 34.122 1.00 0.00 H new ATOM 0 HB3 ARG A 74 24.817 28.631 32.964 1.00 0.00 H new ATOM 0 HG2 ARG A 74 24.499 26.298 32.202 1.00 0.00 H new ATOM 0 HG3 ARG A 74 25.818 25.749 33.217 1.00 0.00 H new ATOM 0 HD2 ARG A 74 23.721 25.296 34.393 1.00 0.00 H new ATOM 0 HD3 ARG A 74 24.558 26.574 35.250 1.00 0.00 H new ATOM 0 HE ARG A 74 22.741 27.653 33.235 1.00 0.00 H new ATOM 0 HH11 ARG A 74 20.870 28.659 34.044 1.00 0.00 H new ATOM 0 HH12 ARG A 74 20.367 28.391 35.717 1.00 0.00 H new ATOM 0 HH21 ARG A 74 23.041 26.257 36.440 1.00 0.00 H new ATOM 0 HH22 ARG A 74 21.585 27.043 37.062 1.00 0.00 H new ATOM 1221 N GLY A 75 26.731 30.067 30.782 1.00 0.00 N ATOM 1222 CA GLY A 75 27.070 31.462 30.525 1.00 0.00 C ATOM 1223 C GLY A 75 28.569 31.699 30.667 1.00 0.00 C ATOM 1224 O GLY A 75 29.348 31.354 29.778 1.00 0.00 O ATOM 0 H GLY A 75 26.200 29.614 30.038 1.00 0.00 H new ATOM 0 HA2 GLY A 75 26.749 31.738 29.521 1.00 0.00 H new ATOM 0 HA3 GLY A 75 26.530 32.105 31.220 1.00 0.00 H new ATOM 1228 N GLY A 76 28.966 32.292 31.789 1.00 0.00 N ATOM 1229 CA GLY A 76 30.376 32.574 32.035 1.00 0.00 C ATOM 1230 C GLY A 76 30.564 33.281 33.373 1.00 0.00 C ATOM 1231 O GLY A 76 31.677 33.276 33.872 1.00 0.00 O ATOM 1232 OXT GLY A 76 29.591 33.817 33.878 1.00 0.00 O ATOM 0 H GLY A 76 28.337 32.584 32.537 1.00 0.00 H new ATOM 0 HA2 GLY A 76 30.944 31.644 32.028 1.00 0.00 H new ATOM 0 HA3 GLY A 76 30.772 33.195 31.232 1.00 0.00 H new TER 1236 GLY A 76