USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 618 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 41 GLN :FLIP amide:sc= -2.29! F(o=-4.9,f=-3.9!) USER MOD Set 1.2: A 69 MET CE :methyl -177:sc= -1.61 (180deg=-1.68) USER MOD Set 2.1: A 1 MET N :NH3+ 169:sc= 0 (180deg=-0.223) USER MOD Set 2.2: A 2 GLN : amide:sc= -1.03 K(o=-1,f=-1.9) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0149) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00395 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00135 USER MOD Single : A 11 LYS NZ :NH3+ -165:sc= -0.124 (180deg=-0.448) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 4:sc= 0.571 USER MOD Single : A 17 THR OG1 : rot 162:sc= -1.66 USER MOD Single : A 22 THR OG1 : rot 3:sc= 0.114 USER MOD Single : A 27 LYS NZ :NH3+ -171:sc= -0.26 (180deg=-0.477) USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0465) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0273 K(o=-0.027,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ -112:sc= -0.0357 (180deg=-1.82!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.738 USER MOD Single : A 56 MET CE :methyl 149:sc= -3.32 (180deg=-7.73!) USER MOD Single : A 59 TYR OH : rot -145:sc= 0.176 USER MOD Single : A 60 ASN : amide:sc= -0.039 X(o=-0.039,f=-0.039) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -118:sc= -0.296 (180deg=-1.38!) USER MOD Single : A 65 SER OG : rot -73:sc= -1.37 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS :FLIP no HD1:sc=-0.00958 F(o=-0.53,f=-0.0096) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.953 -0.889 -0.078 1.00 32.42 N ATOM 2 CA MET A 1 2.242 -0.648 -0.716 1.00 12.24 C ATOM 3 C MET A 1 3.049 -1.938 -0.816 1.00 72.34 C ATOM 4 O MET A 1 4.262 -1.939 -0.608 1.00 73.41 O ATOM 5 CB MET A 1 3.033 0.402 0.066 1.00 11.54 C ATOM 6 CG MET A 1 3.167 0.085 1.547 1.00 74.31 C ATOM 7 SD MET A 1 4.525 0.976 2.329 1.00 63.34 S ATOM 8 CE MET A 1 3.751 2.559 2.650 1.00 24.32 C ATOM 0 H1 MET A 1 0.502 0.020 0.148 1.00 32.42 H new ATOM 0 H2 MET A 1 0.341 -1.428 -0.724 1.00 32.42 H new ATOM 0 H3 MET A 1 1.095 -1.432 0.798 1.00 32.42 H new ATOM 0 HA MET A 1 2.057 -0.277 -1.724 1.00 12.24 H new ATOM 0 HB2 MET A 1 4.028 0.493 -0.369 1.00 11.54 H new ATOM 0 HB3 MET A 1 2.546 1.370 -0.047 1.00 11.54 H new ATOM 0 HG2 MET A 1 2.235 0.335 2.054 1.00 74.31 H new ATOM 0 HG3 MET A 1 3.321 -0.987 1.673 1.00 74.31 H new ATOM 0 HE1 MET A 1 4.467 3.223 3.134 1.00 24.32 H new ATOM 0 HE2 MET A 1 3.424 3.002 1.709 1.00 24.32 H new ATOM 0 HE3 MET A 1 2.890 2.417 3.303 1.00 24.32 H new ATOM 18 N GLN A 2 2.367 -3.034 -1.136 1.00 45.35 N ATOM 19 CA GLN A 2 3.022 -4.330 -1.263 1.00 64.24 C ATOM 20 C GLN A 2 2.820 -4.908 -2.660 1.00 40.13 C ATOM 21 O GLN A 2 1.805 -4.650 -3.308 1.00 41.30 O ATOM 22 CB GLN A 2 2.483 -5.303 -0.213 1.00 53.23 C ATOM 23 CG GLN A 2 0.965 -5.356 -0.157 1.00 14.04 C ATOM 24 CD GLN A 2 0.373 -4.241 0.683 1.00 35.20 C ATOM 25 OE1 GLN A 2 0.915 -3.880 1.728 1.00 41.03 O ATOM 26 NE2 GLN A 2 -0.747 -3.689 0.230 1.00 43.22 N ATOM 0 H GLN A 2 1.362 -3.050 -1.312 1.00 45.35 H new ATOM 0 HA GLN A 2 4.090 -4.186 -1.100 1.00 64.24 H new ATOM 0 HB2 GLN A 2 2.866 -6.301 -0.424 1.00 53.23 H new ATOM 0 HB3 GLN A 2 2.865 -5.016 0.767 1.00 53.23 H new ATOM 0 HG2 GLN A 2 0.565 -5.295 -1.169 1.00 14.04 H new ATOM 0 HG3 GLN A 2 0.654 -6.318 0.251 1.00 14.04 H new ATOM 0 HE21 GLN A 2 -1.162 -4.019 -0.641 1.00 43.22 H new ATOM 0 HE22 GLN A 2 -1.192 -2.935 0.753 1.00 43.22 H new ATOM 35 N ILE A 3 3.792 -5.690 -3.118 1.00 51.33 N ATOM 36 CA ILE A 3 3.719 -6.304 -4.438 1.00 64.11 C ATOM 37 C ILE A 3 3.638 -7.823 -4.334 1.00 25.34 C ATOM 38 O ILE A 3 3.827 -8.393 -3.259 1.00 22.33 O ATOM 39 CB ILE A 3 4.935 -5.924 -5.303 1.00 65.45 C ATOM 40 CG1 ILE A 3 6.229 -6.409 -4.645 1.00 72.11 C ATOM 41 CG2 ILE A 3 4.979 -4.420 -5.525 1.00 0.24 C ATOM 42 CD1 ILE A 3 7.431 -6.355 -5.562 1.00 74.40 C ATOM 0 H ILE A 3 4.639 -5.913 -2.595 1.00 51.33 H new ATOM 0 HA ILE A 3 2.813 -5.926 -4.912 1.00 64.11 H new ATOM 0 HB ILE A 3 4.838 -6.412 -6.273 1.00 65.45 H new ATOM 0 HG12 ILE A 3 6.428 -5.801 -3.762 1.00 72.11 H new ATOM 0 HG13 ILE A 3 6.090 -7.434 -4.301 1.00 72.11 H new ATOM 0 HG21 ILE A 3 5.844 -4.168 -6.138 1.00 0.24 H new ATOM 0 HG22 ILE A 3 4.069 -4.100 -6.033 1.00 0.24 H new ATOM 0 HG23 ILE A 3 5.055 -3.912 -4.563 1.00 0.24 H new ATOM 0 HD11 ILE A 3 8.312 -6.713 -5.029 1.00 74.40 H new ATOM 0 HD12 ILE A 3 7.253 -6.985 -6.433 1.00 74.40 H new ATOM 0 HD13 ILE A 3 7.596 -5.327 -5.886 1.00 74.40 H new ATOM 54 N PHE A 4 3.358 -8.474 -5.458 1.00 24.12 N ATOM 55 CA PHE A 4 3.253 -9.928 -5.494 1.00 24.25 C ATOM 56 C PHE A 4 4.331 -10.529 -6.392 1.00 33.35 C ATOM 57 O PHE A 4 4.434 -10.186 -7.570 1.00 20.34 O ATOM 58 CB PHE A 4 1.868 -10.349 -5.988 1.00 50.44 C ATOM 59 CG PHE A 4 0.806 -10.280 -4.928 1.00 43.41 C ATOM 60 CD1 PHE A 4 0.546 -9.091 -4.266 1.00 2.21 C ATOM 61 CD2 PHE A 4 0.069 -11.404 -4.593 1.00 52.14 C ATOM 62 CE1 PHE A 4 -0.430 -9.024 -3.290 1.00 14.31 C ATOM 63 CE2 PHE A 4 -0.909 -11.343 -3.619 1.00 12.32 C ATOM 64 CZ PHE A 4 -1.158 -10.152 -2.965 1.00 53.44 C ATOM 0 H PHE A 4 3.200 -8.018 -6.356 1.00 24.12 H new ATOM 0 HA PHE A 4 3.398 -10.303 -4.481 1.00 24.25 H new ATOM 0 HB2 PHE A 4 1.579 -9.710 -6.822 1.00 50.44 H new ATOM 0 HB3 PHE A 4 1.922 -11.368 -6.371 1.00 50.44 H new ATOM 0 HD1 PHE A 4 1.113 -8.206 -4.516 1.00 2.21 H new ATOM 0 HD2 PHE A 4 0.261 -12.339 -5.099 1.00 52.14 H new ATOM 0 HE1 PHE A 4 -0.623 -8.091 -2.782 1.00 14.31 H new ATOM 0 HE2 PHE A 4 -1.478 -12.226 -3.369 1.00 12.32 H new ATOM 0 HZ PHE A 4 -1.920 -10.103 -2.201 1.00 53.44 H new ATOM 74 N ILE A 5 5.131 -11.427 -5.826 1.00 75.10 N ATOM 75 CA ILE A 5 6.199 -12.076 -6.575 1.00 24.32 C ATOM 76 C ILE A 5 5.985 -13.585 -6.643 1.00 50.52 C ATOM 77 O ILE A 5 5.559 -14.207 -5.670 1.00 74.34 O ATOM 78 CB ILE A 5 7.578 -11.793 -5.949 1.00 13.02 C ATOM 79 CG1 ILE A 5 7.810 -10.285 -5.835 1.00 0.04 C ATOM 80 CG2 ILE A 5 8.678 -12.443 -6.774 1.00 40.14 C ATOM 81 CD1 ILE A 5 7.504 -9.729 -4.462 1.00 15.32 C ATOM 0 H ILE A 5 5.059 -11.721 -4.852 1.00 75.10 H new ATOM 0 HA ILE A 5 6.174 -11.662 -7.583 1.00 24.32 H new ATOM 0 HB ILE A 5 7.601 -12.222 -4.947 1.00 13.02 H new ATOM 0 HG12 ILE A 5 8.848 -10.065 -6.084 1.00 0.04 H new ATOM 0 HG13 ILE A 5 7.191 -9.773 -6.572 1.00 0.04 H new ATOM 0 HG21 ILE A 5 9.646 -12.234 -6.319 1.00 40.14 H new ATOM 0 HG22 ILE A 5 8.518 -13.521 -6.808 1.00 40.14 H new ATOM 0 HG23 ILE A 5 8.659 -12.041 -7.787 1.00 40.14 H new ATOM 0 HD11 ILE A 5 7.691 -8.655 -4.454 1.00 15.32 H new ATOM 0 HD12 ILE A 5 6.458 -9.917 -4.218 1.00 15.32 H new ATOM 0 HD13 ILE A 5 8.142 -10.214 -3.723 1.00 15.32 H new ATOM 93 N LYS A 6 6.285 -14.167 -7.799 1.00 20.30 N ATOM 94 CA LYS A 6 6.129 -15.604 -7.995 1.00 52.44 C ATOM 95 C LYS A 6 7.433 -16.232 -8.475 1.00 23.34 C ATOM 96 O LYS A 6 7.995 -15.824 -9.492 1.00 31.32 O ATOM 97 CB LYS A 6 5.014 -15.883 -9.006 1.00 43.44 C ATOM 98 CG LYS A 6 4.646 -17.352 -9.115 1.00 73.13 C ATOM 99 CD LYS A 6 3.442 -17.560 -10.019 1.00 41.42 C ATOM 100 CE LYS A 6 3.254 -19.028 -10.369 1.00 0.13 C ATOM 101 NZ LYS A 6 2.483 -19.753 -9.321 1.00 61.11 N ATOM 0 H LYS A 6 6.638 -13.666 -8.615 1.00 20.30 H new ATOM 0 HA LYS A 6 5.863 -16.050 -7.037 1.00 52.44 H new ATOM 0 HB2 LYS A 6 4.128 -15.315 -8.723 1.00 43.44 H new ATOM 0 HB3 LYS A 6 5.325 -15.521 -9.986 1.00 43.44 H new ATOM 0 HG2 LYS A 6 5.496 -17.913 -9.504 1.00 73.13 H new ATOM 0 HG3 LYS A 6 4.430 -17.748 -8.123 1.00 73.13 H new ATOM 0 HD2 LYS A 6 2.546 -17.185 -9.525 1.00 41.42 H new ATOM 0 HD3 LYS A 6 3.568 -16.980 -10.933 1.00 41.42 H new ATOM 0 HE2 LYS A 6 2.735 -19.110 -11.324 1.00 0.13 H new ATOM 0 HE3 LYS A 6 4.229 -19.499 -10.494 1.00 0.13 H new ATOM 0 HZ1 LYS A 6 2.434 -20.763 -9.562 1.00 61.11 H new ATOM 0 HZ2 LYS A 6 2.955 -19.639 -8.401 1.00 61.11 H new ATOM 0 HZ3 LYS A 6 1.520 -19.363 -9.266 1.00 61.11 H new ATOM 115 N THR A 7 7.911 -17.229 -7.736 1.00 71.41 N ATOM 116 CA THR A 7 9.149 -17.915 -8.086 1.00 13.43 C ATOM 117 C THR A 7 8.881 -19.096 -9.011 1.00 33.22 C ATOM 118 O THR A 7 7.746 -19.321 -9.435 1.00 23.11 O ATOM 119 CB THR A 7 9.887 -18.417 -6.830 1.00 75.14 C ATOM 120 OG1 THR A 7 9.065 -19.351 -6.120 1.00 43.14 O ATOM 121 CG2 THR A 7 10.251 -17.257 -5.916 1.00 71.12 C ATOM 0 H THR A 7 7.459 -17.579 -6.891 1.00 71.41 H new ATOM 0 HA THR A 7 9.778 -17.189 -8.602 1.00 13.43 H new ATOM 0 HB THR A 7 10.806 -18.910 -7.148 1.00 75.14 H new ATOM 0 HG1 THR A 7 9.541 -19.667 -5.324 1.00 43.14 H new ATOM 0 HG21 THR A 7 10.771 -17.636 -5.036 1.00 71.12 H new ATOM 0 HG22 THR A 7 10.900 -16.563 -6.450 1.00 71.12 H new ATOM 0 HG23 THR A 7 9.343 -16.739 -5.606 1.00 71.12 H new ATOM 129 N LEU A 8 9.930 -19.849 -9.320 1.00 64.21 N ATOM 130 CA LEU A 8 9.808 -21.010 -10.195 1.00 41.14 C ATOM 131 C LEU A 8 8.966 -22.100 -9.540 1.00 2.11 C ATOM 132 O LEU A 8 8.236 -22.827 -10.215 1.00 10.52 O ATOM 133 CB LEU A 8 11.193 -21.559 -10.543 1.00 72.04 C ATOM 134 CG LEU A 8 11.327 -22.219 -11.916 1.00 24.30 C ATOM 135 CD1 LEU A 8 10.433 -23.446 -12.008 1.00 63.02 C ATOM 136 CD2 LEU A 8 10.991 -21.228 -13.020 1.00 41.32 C ATOM 0 H LEU A 8 10.875 -19.677 -8.978 1.00 64.21 H new ATOM 0 HA LEU A 8 9.309 -20.693 -11.111 1.00 41.14 H new ATOM 0 HB2 LEU A 8 11.912 -20.742 -10.483 1.00 72.04 H new ATOM 0 HB3 LEU A 8 11.475 -22.287 -9.783 1.00 72.04 H new ATOM 0 HG LEU A 8 12.361 -22.538 -12.045 1.00 24.30 H new ATOM 0 HD11 LEU A 8 10.542 -23.902 -12.992 1.00 63.02 H new ATOM 0 HD12 LEU A 8 10.721 -24.165 -11.241 1.00 63.02 H new ATOM 0 HD13 LEU A 8 9.394 -23.152 -11.857 1.00 63.02 H new ATOM 0 HD21 LEU A 8 11.092 -21.716 -13.990 1.00 41.32 H new ATOM 0 HD22 LEU A 8 9.966 -20.878 -12.895 1.00 41.32 H new ATOM 0 HD23 LEU A 8 11.674 -20.380 -12.968 1.00 41.32 H new ATOM 148 N THR A 9 9.071 -22.208 -8.219 1.00 1.31 N ATOM 149 CA THR A 9 8.319 -23.208 -7.472 1.00 2.34 C ATOM 150 C THR A 9 6.859 -22.798 -7.321 1.00 34.03 C ATOM 151 O THR A 9 6.026 -23.586 -6.875 1.00 54.00 O ATOM 152 CB THR A 9 8.924 -23.436 -6.073 1.00 54.13 C ATOM 153 OG1 THR A 9 10.348 -23.298 -6.127 1.00 11.23 O ATOM 154 CG2 THR A 9 8.562 -24.816 -5.546 1.00 63.43 C ATOM 0 H THR A 9 9.670 -21.615 -7.645 1.00 1.31 H new ATOM 0 HA THR A 9 8.376 -24.136 -8.040 1.00 2.34 H new ATOM 0 HB THR A 9 8.513 -22.687 -5.396 1.00 54.13 H new ATOM 0 HG1 THR A 9 10.725 -23.443 -5.234 1.00 11.23 H new ATOM 0 HG21 THR A 9 9.000 -24.954 -4.557 1.00 63.43 H new ATOM 0 HG22 THR A 9 7.478 -24.907 -5.479 1.00 63.43 H new ATOM 0 HG23 THR A 9 8.948 -25.577 -6.224 1.00 63.43 H new ATOM 162 N GLY A 10 6.554 -21.559 -7.696 1.00 63.20 N ATOM 163 CA GLY A 10 5.193 -21.067 -7.595 1.00 11.10 C ATOM 164 C GLY A 10 4.894 -20.463 -6.237 1.00 70.11 C ATOM 165 O GLY A 10 3.732 -20.296 -5.865 1.00 62.13 O ATOM 0 H GLY A 10 7.226 -20.888 -8.068 1.00 63.20 H new ATOM 0 HA2 GLY A 10 5.023 -20.318 -8.368 1.00 11.10 H new ATOM 0 HA3 GLY A 10 4.499 -21.885 -7.786 1.00 11.10 H new ATOM 169 N LYS A 11 5.945 -20.136 -5.493 1.00 13.33 N ATOM 170 CA LYS A 11 5.791 -19.547 -4.168 1.00 32.34 C ATOM 171 C LYS A 11 5.329 -18.097 -4.267 1.00 11.14 C ATOM 172 O LYS A 11 5.741 -17.363 -5.165 1.00 42.42 O ATOM 173 CB LYS A 11 7.111 -19.622 -3.397 1.00 41.34 C ATOM 174 CG LYS A 11 6.935 -19.636 -1.889 1.00 2.32 C ATOM 175 CD LYS A 11 6.835 -21.054 -1.352 1.00 42.21 C ATOM 176 CE LYS A 11 6.714 -21.069 0.164 1.00 51.30 C ATOM 177 NZ LYS A 11 7.841 -20.347 0.818 1.00 73.14 N ATOM 0 H LYS A 11 6.913 -20.269 -5.785 1.00 13.33 H new ATOM 0 HA LYS A 11 5.031 -20.116 -3.631 1.00 32.34 H new ATOM 0 HB2 LYS A 11 7.648 -20.521 -3.700 1.00 41.34 H new ATOM 0 HB3 LYS A 11 7.733 -18.770 -3.674 1.00 41.34 H new ATOM 0 HG2 LYS A 11 7.776 -19.127 -1.419 1.00 2.32 H new ATOM 0 HG3 LYS A 11 6.036 -19.081 -1.622 1.00 2.32 H new ATOM 0 HD2 LYS A 11 5.970 -21.551 -1.792 1.00 42.21 H new ATOM 0 HD3 LYS A 11 7.716 -21.621 -1.653 1.00 42.21 H new ATOM 0 HE2 LYS A 11 5.770 -20.610 0.457 1.00 51.30 H new ATOM 0 HE3 LYS A 11 6.690 -22.100 0.516 1.00 51.30 H new ATOM 0 HZ1 LYS A 11 7.868 -20.589 1.829 1.00 73.14 H new ATOM 0 HZ2 LYS A 11 8.738 -20.626 0.371 1.00 73.14 H new ATOM 0 HZ3 LYS A 11 7.705 -19.322 0.711 1.00 73.14 H new ATOM 191 N THR A 12 4.471 -17.689 -3.336 1.00 41.24 N ATOM 192 CA THR A 12 3.954 -16.326 -3.319 1.00 32.42 C ATOM 193 C THR A 12 4.678 -15.476 -2.281 1.00 64.54 C ATOM 194 O THR A 12 4.626 -15.762 -1.085 1.00 35.22 O ATOM 195 CB THR A 12 2.443 -16.303 -3.020 1.00 72.13 C ATOM 196 OG1 THR A 12 1.746 -17.135 -3.954 1.00 71.15 O ATOM 197 CG2 THR A 12 1.899 -14.884 -3.093 1.00 33.42 C ATOM 0 H THR A 12 4.120 -18.283 -2.585 1.00 41.24 H new ATOM 0 HA THR A 12 4.128 -15.909 -4.311 1.00 32.42 H new ATOM 0 HB THR A 12 2.289 -16.683 -2.010 1.00 72.13 H new ATOM 0 HG1 THR A 12 0.786 -17.116 -3.756 1.00 71.15 H new ATOM 0 HG21 THR A 12 0.830 -14.893 -2.878 1.00 33.42 H new ATOM 0 HG22 THR A 12 2.411 -14.260 -2.361 1.00 33.42 H new ATOM 0 HG23 THR A 12 2.065 -14.482 -4.092 1.00 33.42 H new ATOM 205 N ILE A 13 5.354 -14.431 -2.747 1.00 74.20 N ATOM 206 CA ILE A 13 6.087 -13.539 -1.858 1.00 42.22 C ATOM 207 C ILE A 13 5.553 -12.113 -1.947 1.00 62.22 C ATOM 208 O ILE A 13 5.613 -11.480 -3.002 1.00 4.13 O ATOM 209 CB ILE A 13 7.593 -13.532 -2.184 1.00 35.43 C ATOM 210 CG1 ILE A 13 8.116 -14.965 -2.306 1.00 42.21 C ATOM 211 CG2 ILE A 13 8.362 -12.771 -1.115 1.00 43.32 C ATOM 212 CD1 ILE A 13 9.573 -15.044 -2.704 1.00 43.45 C ATOM 0 H ILE A 13 5.409 -14.182 -3.735 1.00 74.20 H new ATOM 0 HA ILE A 13 5.944 -13.916 -0.845 1.00 42.22 H new ATOM 0 HB ILE A 13 7.742 -13.028 -3.139 1.00 35.43 H new ATOM 0 HG12 ILE A 13 7.980 -15.475 -1.353 1.00 42.21 H new ATOM 0 HG13 ILE A 13 7.517 -15.500 -3.042 1.00 42.21 H new ATOM 0 HG21 ILE A 13 9.424 -12.775 -1.359 1.00 43.32 H new ATOM 0 HG22 ILE A 13 8.003 -11.743 -1.071 1.00 43.32 H new ATOM 0 HG23 ILE A 13 8.210 -13.250 -0.148 1.00 43.32 H new ATOM 0 HD11 ILE A 13 9.876 -16.089 -2.771 1.00 43.45 H new ATOM 0 HD12 ILE A 13 9.712 -14.563 -3.672 1.00 43.45 H new ATOM 0 HD13 ILE A 13 10.183 -14.537 -1.956 1.00 43.45 H new ATOM 224 N THR A 14 5.031 -11.612 -0.832 1.00 4.30 N ATOM 225 CA THR A 14 4.487 -10.261 -0.783 1.00 3.40 C ATOM 226 C THR A 14 4.979 -9.514 0.452 1.00 34.41 C ATOM 227 O THR A 14 4.774 -9.960 1.581 1.00 73.24 O ATOM 228 CB THR A 14 2.947 -10.275 -0.781 1.00 70.01 C ATOM 229 OG1 THR A 14 2.463 -10.730 0.487 1.00 31.52 O ATOM 230 CG2 THR A 14 2.413 -11.174 -1.886 1.00 51.10 C ATOM 0 H THR A 14 4.974 -12.122 0.049 1.00 4.30 H new ATOM 0 HA THR A 14 4.837 -9.747 -1.678 1.00 3.40 H new ATOM 0 HB THR A 14 2.596 -9.259 -0.960 1.00 70.01 H new ATOM 0 HG1 THR A 14 3.220 -10.877 1.092 1.00 31.52 H new ATOM 0 HG21 THR A 14 1.323 -11.168 -1.865 1.00 51.10 H new ATOM 0 HG22 THR A 14 2.759 -10.808 -2.852 1.00 51.10 H new ATOM 0 HG23 THR A 14 2.773 -12.191 -1.733 1.00 51.10 H new ATOM 238 N ALA A 15 5.628 -8.376 0.231 1.00 55.13 N ATOM 239 CA ALA A 15 6.146 -7.566 1.327 1.00 74.35 C ATOM 240 C ALA A 15 6.441 -6.143 0.866 1.00 72.03 C ATOM 241 O ALA A 15 6.740 -5.910 -0.305 1.00 10.12 O ATOM 242 CB ALA A 15 7.398 -8.205 1.908 1.00 31.24 C ATOM 0 H ALA A 15 5.808 -7.994 -0.697 1.00 55.13 H new ATOM 0 HA ALA A 15 5.382 -7.517 2.103 1.00 74.35 H new ATOM 0 HB1 ALA A 15 7.775 -7.590 2.725 1.00 31.24 H new ATOM 0 HB2 ALA A 15 7.158 -9.200 2.283 1.00 31.24 H new ATOM 0 HB3 ALA A 15 8.160 -8.284 1.132 1.00 31.24 H new ATOM 248 N GLU A 16 6.354 -5.195 1.794 1.00 74.31 N ATOM 249 CA GLU A 16 6.610 -3.794 1.481 1.00 62.43 C ATOM 250 C GLU A 16 8.107 -3.533 1.343 1.00 4.04 C ATOM 251 O GLU A 16 8.921 -4.124 2.055 1.00 52.41 O ATOM 252 CB GLU A 16 6.021 -2.890 2.565 1.00 32.12 C ATOM 253 CG GLU A 16 6.716 -3.019 3.910 1.00 65.32 C ATOM 254 CD GLU A 16 6.161 -2.064 4.948 1.00 34.54 C ATOM 255 OE1 GLU A 16 6.874 -1.107 5.316 1.00 61.44 O ATOM 256 OE2 GLU A 16 5.013 -2.274 5.394 1.00 22.11 O ATOM 0 H GLU A 16 6.108 -5.372 2.768 1.00 74.31 H new ATOM 0 HA GLU A 16 6.130 -3.567 0.529 1.00 62.43 H new ATOM 0 HB2 GLU A 16 6.080 -1.853 2.233 1.00 32.12 H new ATOM 0 HB3 GLU A 16 4.964 -3.126 2.688 1.00 32.12 H new ATOM 0 HG2 GLU A 16 6.613 -4.042 4.271 1.00 65.32 H new ATOM 0 HG3 GLU A 16 7.782 -2.832 3.783 1.00 65.32 H new ATOM 263 N THR A 17 8.465 -2.643 0.422 1.00 31.53 N ATOM 264 CA THR A 17 9.863 -2.304 0.189 1.00 30.33 C ATOM 265 C THR A 17 10.066 -0.794 0.169 1.00 4.35 C ATOM 266 O THR A 17 9.105 -0.028 0.232 1.00 72.54 O ATOM 267 CB THR A 17 10.371 -2.897 -1.139 1.00 0.23 C ATOM 268 OG1 THR A 17 11.791 -2.741 -1.233 1.00 43.32 O ATOM 269 CG2 THR A 17 9.701 -2.219 -2.325 1.00 22.42 C ATOM 0 H THR A 17 7.805 -2.144 -0.175 1.00 31.53 H new ATOM 0 HA THR A 17 10.434 -2.734 1.012 1.00 30.33 H new ATOM 0 HB THR A 17 10.121 -3.958 -1.158 1.00 0.23 H new ATOM 0 HG1 THR A 17 12.144 -3.360 -1.906 1.00 43.32 H new ATOM 0 HG21 THR A 17 10.075 -2.654 -3.252 1.00 22.42 H new ATOM 0 HG22 THR A 17 8.622 -2.364 -2.266 1.00 22.42 H new ATOM 0 HG23 THR A 17 9.925 -1.152 -2.308 1.00 22.42 H new ATOM 277 N GLU A 18 11.324 -0.372 0.082 1.00 51.51 N ATOM 278 CA GLU A 18 11.652 1.049 0.054 1.00 11.00 C ATOM 279 C GLU A 18 12.004 1.498 -1.361 1.00 42.41 C ATOM 280 O GLU A 18 12.427 0.707 -2.204 1.00 22.32 O ATOM 281 CB GLU A 18 12.818 1.345 1.000 1.00 73.42 C ATOM 282 CG GLU A 18 12.382 1.693 2.413 1.00 13.01 C ATOM 283 CD GLU A 18 13.532 2.171 3.277 1.00 2.43 C ATOM 284 OE1 GLU A 18 14.183 3.168 2.899 1.00 14.44 O ATOM 285 OE2 GLU A 18 13.782 1.549 4.331 1.00 43.43 O ATOM 0 H GLU A 18 12.132 -0.993 0.030 1.00 51.51 H new ATOM 0 HA GLU A 18 10.775 1.605 0.385 1.00 11.00 H new ATOM 0 HB2 GLU A 18 13.476 0.476 1.035 1.00 73.42 H new ATOM 0 HB3 GLU A 18 13.402 2.171 0.595 1.00 73.42 H new ATOM 0 HG2 GLU A 18 11.616 2.468 2.373 1.00 13.01 H new ATOM 0 HG3 GLU A 18 11.925 0.817 2.874 1.00 13.01 H new ATOM 292 N PRO A 19 11.825 2.800 -1.630 1.00 4.32 N ATOM 293 CA PRO A 19 12.118 3.385 -2.942 1.00 11.33 C ATOM 294 C PRO A 19 13.613 3.429 -3.236 1.00 44.33 C ATOM 295 O PRO A 19 14.035 3.265 -4.381 1.00 21.34 O ATOM 296 CB PRO A 19 11.553 4.804 -2.832 1.00 33.44 C ATOM 297 CG PRO A 19 11.576 5.108 -1.374 1.00 14.45 C ATOM 298 CD PRO A 19 11.324 3.802 -0.673 1.00 65.43 C ATOM 0 HA PRO A 19 11.686 2.801 -3.754 1.00 11.33 H new ATOM 0 HB2 PRO A 19 12.157 5.516 -3.394 1.00 33.44 H new ATOM 0 HB3 PRO A 19 10.541 4.859 -3.232 1.00 33.44 H new ATOM 0 HG2 PRO A 19 12.537 5.530 -1.079 1.00 14.45 H new ATOM 0 HG3 PRO A 19 10.813 5.842 -1.117 1.00 14.45 H new ATOM 0 HD2 PRO A 19 11.852 3.748 0.279 1.00 65.43 H new ATOM 0 HD3 PRO A 19 10.265 3.659 -0.458 1.00 65.43 H new ATOM 306 N ALA A 20 14.410 3.652 -2.196 1.00 64.04 N ATOM 307 CA ALA A 20 15.859 3.715 -2.344 1.00 62.11 C ATOM 308 C ALA A 20 16.460 2.319 -2.465 1.00 72.52 C ATOM 309 O ALA A 20 17.523 2.140 -3.059 1.00 54.11 O ATOM 310 CB ALA A 20 16.478 4.457 -1.169 1.00 13.51 C ATOM 0 H ALA A 20 14.077 3.792 -1.242 1.00 64.04 H new ATOM 0 HA ALA A 20 16.082 4.259 -3.262 1.00 62.11 H new ATOM 0 HB1 ALA A 20 17.560 4.496 -1.293 1.00 13.51 H new ATOM 0 HB2 ALA A 20 16.080 5.471 -1.129 1.00 13.51 H new ATOM 0 HB3 ALA A 20 16.238 3.936 -0.242 1.00 13.51 H new ATOM 316 N GLU A 21 15.772 1.332 -1.898 1.00 4.23 N ATOM 317 CA GLU A 21 16.240 -0.048 -1.942 1.00 25.13 C ATOM 318 C GLU A 21 15.087 -1.005 -2.232 1.00 4.42 C ATOM 319 O GLU A 21 14.645 -1.747 -1.355 1.00 30.15 O ATOM 320 CB GLU A 21 16.910 -0.425 -0.619 1.00 30.44 C ATOM 321 CG GLU A 21 16.053 -0.134 0.602 1.00 70.41 C ATOM 322 CD GLU A 21 16.852 -0.142 1.891 1.00 53.02 C ATOM 323 OE1 GLU A 21 18.079 -0.367 1.826 1.00 14.04 O ATOM 324 OE2 GLU A 21 16.251 0.077 2.963 1.00 33.32 O ATOM 0 H GLU A 21 14.890 1.463 -1.403 1.00 4.23 H new ATOM 0 HA GLU A 21 16.970 -0.132 -2.747 1.00 25.13 H new ATOM 0 HB2 GLU A 21 17.156 -1.487 -0.635 1.00 30.44 H new ATOM 0 HB3 GLU A 21 17.851 0.118 -0.530 1.00 30.44 H new ATOM 0 HG2 GLU A 21 15.574 0.838 0.482 1.00 70.41 H new ATOM 0 HG3 GLU A 21 15.257 -0.876 0.668 1.00 70.41 H new ATOM 331 N THR A 22 14.604 -0.981 -3.470 1.00 13.10 N ATOM 332 CA THR A 22 13.502 -1.843 -3.877 1.00 35.44 C ATOM 333 C THR A 22 13.973 -3.279 -4.079 1.00 54.00 C ATOM 334 O THR A 22 13.403 -4.215 -3.517 1.00 42.13 O ATOM 335 CB THR A 22 12.846 -1.342 -5.177 1.00 41.02 C ATOM 336 OG1 THR A 22 12.111 -0.140 -4.923 1.00 53.24 O ATOM 337 CG2 THR A 22 11.917 -2.398 -5.757 1.00 41.10 C ATOM 0 H THR A 22 14.959 -0.374 -4.208 1.00 13.10 H new ATOM 0 HA THR A 22 12.766 -1.814 -3.074 1.00 35.44 H new ATOM 0 HB THR A 22 13.635 -1.139 -5.901 1.00 41.02 H new ATOM 0 HG1 THR A 22 12.221 0.118 -3.984 1.00 53.24 H new ATOM 0 HG21 THR A 22 11.466 -2.021 -6.675 1.00 41.10 H new ATOM 0 HG22 THR A 22 12.486 -3.302 -5.977 1.00 41.10 H new ATOM 0 HG23 THR A 22 11.133 -2.629 -5.035 1.00 41.10 H new ATOM 345 N VAL A 23 15.017 -3.446 -4.885 1.00 34.34 N ATOM 346 CA VAL A 23 15.566 -4.769 -5.160 1.00 13.33 C ATOM 347 C VAL A 23 16.383 -5.281 -3.979 1.00 34.11 C ATOM 348 O VAL A 23 16.222 -6.423 -3.548 1.00 53.35 O ATOM 349 CB VAL A 23 16.454 -4.757 -6.418 1.00 1.12 C ATOM 350 CG1 VAL A 23 17.096 -6.119 -6.631 1.00 72.34 C ATOM 351 CG2 VAL A 23 15.645 -4.343 -7.637 1.00 54.43 C ATOM 0 H VAL A 23 15.499 -2.682 -5.359 1.00 34.34 H new ATOM 0 HA VAL A 23 14.720 -5.435 -5.328 1.00 13.33 H new ATOM 0 HB VAL A 23 17.249 -4.026 -6.273 1.00 1.12 H new ATOM 0 HG11 VAL A 23 17.720 -6.091 -7.524 1.00 72.34 H new ATOM 0 HG12 VAL A 23 17.711 -6.371 -5.767 1.00 72.34 H new ATOM 0 HG13 VAL A 23 16.318 -6.873 -6.755 1.00 72.34 H new ATOM 0 HG21 VAL A 23 16.288 -4.340 -8.517 1.00 54.43 H new ATOM 0 HG22 VAL A 23 14.827 -5.048 -7.788 1.00 54.43 H new ATOM 0 HG23 VAL A 23 15.238 -3.344 -7.482 1.00 54.43 H new ATOM 361 N ALA A 24 17.260 -4.429 -3.459 1.00 14.42 N ATOM 362 CA ALA A 24 18.100 -4.794 -2.326 1.00 23.04 C ATOM 363 C ALA A 24 17.260 -5.308 -1.162 1.00 11.15 C ATOM 364 O ALA A 24 17.611 -6.297 -0.519 1.00 24.50 O ATOM 365 CB ALA A 24 18.941 -3.604 -1.887 1.00 64.31 C ATOM 0 H ALA A 24 17.407 -3.481 -3.805 1.00 14.42 H new ATOM 0 HA ALA A 24 18.765 -5.598 -2.643 1.00 23.04 H new ATOM 0 HB1 ALA A 24 19.564 -3.891 -1.040 1.00 64.31 H new ATOM 0 HB2 ALA A 24 19.577 -3.284 -2.712 1.00 64.31 H new ATOM 0 HB3 ALA A 24 18.286 -2.784 -1.594 1.00 64.31 H new ATOM 371 N ASP A 25 16.149 -4.629 -0.895 1.00 63.41 N ATOM 372 CA ASP A 25 15.258 -5.018 0.192 1.00 42.20 C ATOM 373 C ASP A 25 14.788 -6.459 0.020 1.00 13.34 C ATOM 374 O ASP A 25 14.722 -7.221 0.986 1.00 44.02 O ATOM 375 CB ASP A 25 14.053 -4.078 0.252 1.00 31.33 C ATOM 376 CG ASP A 25 12.899 -4.667 1.039 1.00 35.31 C ATOM 377 OD1 ASP A 25 11.893 -5.063 0.412 1.00 25.41 O ATOM 378 OD2 ASP A 25 13.000 -4.733 2.282 1.00 65.02 O ATOM 0 H ASP A 25 15.844 -3.807 -1.416 1.00 63.41 H new ATOM 0 HA ASP A 25 15.812 -4.946 1.128 1.00 42.20 H new ATOM 0 HB2 ASP A 25 14.354 -3.134 0.706 1.00 31.33 H new ATOM 0 HB3 ASP A 25 13.721 -3.853 -0.761 1.00 31.33 H new ATOM 383 N LEU A 26 14.460 -6.825 -1.214 1.00 32.54 N ATOM 384 CA LEU A 26 13.994 -8.175 -1.512 1.00 72.32 C ATOM 385 C LEU A 26 15.155 -9.165 -1.511 1.00 54.34 C ATOM 386 O LEU A 26 15.032 -10.282 -1.008 1.00 44.23 O ATOM 387 CB LEU A 26 13.286 -8.203 -2.868 1.00 32.31 C ATOM 388 CG LEU A 26 11.772 -8.419 -2.830 1.00 44.54 C ATOM 389 CD1 LEU A 26 11.436 -9.721 -2.121 1.00 71.25 C ATOM 390 CD2 LEU A 26 11.083 -7.245 -2.149 1.00 65.12 C ATOM 0 H LEU A 26 14.508 -6.207 -2.024 1.00 32.54 H new ATOM 0 HA LEU A 26 13.289 -8.470 -0.734 1.00 72.32 H new ATOM 0 HB2 LEU A 26 13.486 -7.261 -3.379 1.00 32.31 H new ATOM 0 HB3 LEU A 26 13.731 -8.994 -3.472 1.00 32.31 H new ATOM 0 HG LEU A 26 11.408 -8.484 -3.855 1.00 44.54 H new ATOM 0 HD11 LEU A 26 10.355 -9.857 -2.104 1.00 71.25 H new ATOM 0 HD12 LEU A 26 11.898 -10.554 -2.651 1.00 71.25 H new ATOM 0 HD13 LEU A 26 11.814 -9.687 -1.099 1.00 71.25 H new ATOM 0 HD21 LEU A 26 10.007 -7.416 -2.131 1.00 65.12 H new ATOM 0 HD22 LEU A 26 11.452 -7.149 -1.128 1.00 65.12 H new ATOM 0 HD23 LEU A 26 11.296 -6.329 -2.700 1.00 65.12 H new ATOM 402 N LYS A 27 16.282 -8.747 -2.077 1.00 1.54 N ATOM 403 CA LYS A 27 17.467 -9.593 -2.139 1.00 23.43 C ATOM 404 C LYS A 27 17.857 -10.086 -0.749 1.00 23.41 C ATOM 405 O LYS A 27 18.382 -11.189 -0.597 1.00 43.00 O ATOM 406 CB LYS A 27 18.634 -8.827 -2.766 1.00 24.42 C ATOM 407 CG LYS A 27 18.448 -8.540 -4.246 1.00 24.34 C ATOM 408 CD LYS A 27 19.761 -8.648 -5.004 1.00 11.32 C ATOM 409 CE LYS A 27 20.723 -7.536 -4.614 1.00 14.15 C ATOM 410 NZ LYS A 27 20.256 -6.205 -5.093 1.00 63.41 N ATOM 0 H LYS A 27 16.399 -7.826 -2.500 1.00 1.54 H new ATOM 0 HA LYS A 27 17.233 -10.458 -2.760 1.00 23.43 H new ATOM 0 HB2 LYS A 27 18.766 -7.884 -2.235 1.00 24.42 H new ATOM 0 HB3 LYS A 27 19.550 -9.401 -2.628 1.00 24.42 H new ATOM 0 HG2 LYS A 27 17.726 -9.240 -4.666 1.00 24.34 H new ATOM 0 HG3 LYS A 27 18.034 -7.540 -4.374 1.00 24.34 H new ATOM 0 HD2 LYS A 27 20.220 -9.616 -4.802 1.00 11.32 H new ATOM 0 HD3 LYS A 27 19.568 -8.604 -6.076 1.00 11.32 H new ATOM 0 HE2 LYS A 27 20.832 -7.514 -3.530 1.00 14.15 H new ATOM 0 HE3 LYS A 27 21.709 -7.746 -5.029 1.00 14.15 H new ATOM 0 HZ1 LYS A 27 21.006 -5.500 -4.944 1.00 63.41 H new ATOM 0 HZ2 LYS A 27 20.030 -6.261 -6.107 1.00 63.41 H new ATOM 0 HZ3 LYS A 27 19.406 -5.924 -4.564 1.00 63.41 H new ATOM 424 N GLN A 28 17.595 -9.263 0.261 1.00 25.11 N ATOM 425 CA GLN A 28 17.919 -9.617 1.638 1.00 31.21 C ATOM 426 C GLN A 28 16.938 -10.652 2.179 1.00 70.22 C ATOM 427 O GLN A 28 17.280 -11.452 3.050 1.00 10.13 O ATOM 428 CB GLN A 28 17.904 -8.371 2.525 1.00 55.45 C ATOM 429 CG GLN A 28 18.317 -8.641 3.962 1.00 31.32 C ATOM 430 CD GLN A 28 18.568 -7.369 4.747 1.00 44.45 C ATOM 431 OE1 GLN A 28 18.118 -6.289 4.361 1.00 23.15 O ATOM 432 NE2 GLN A 28 19.291 -7.489 5.854 1.00 11.42 N ATOM 0 H GLN A 28 17.160 -8.347 0.152 1.00 25.11 H new ATOM 0 HA GLN A 28 18.919 -10.050 1.649 1.00 31.21 H new ATOM 0 HB2 GLN A 28 18.573 -7.624 2.098 1.00 55.45 H new ATOM 0 HB3 GLN A 28 16.902 -7.943 2.518 1.00 55.45 H new ATOM 0 HG2 GLN A 28 17.538 -9.221 4.457 1.00 31.32 H new ATOM 0 HG3 GLN A 28 19.220 -9.251 3.968 1.00 31.32 H new ATOM 0 HE21 GLN A 28 19.644 -8.404 6.136 1.00 11.42 H new ATOM 0 HE22 GLN A 28 19.494 -6.667 6.422 1.00 11.42 H new ATOM 441 N LYS A 29 15.716 -10.632 1.657 1.00 43.43 N ATOM 442 CA LYS A 29 14.685 -11.568 2.085 1.00 35.45 C ATOM 443 C LYS A 29 15.011 -12.985 1.625 1.00 72.42 C ATOM 444 O LYS A 29 14.985 -13.927 2.418 1.00 61.01 O ATOM 445 CB LYS A 29 13.321 -11.143 1.536 1.00 32.43 C ATOM 446 CG LYS A 29 12.491 -10.341 2.523 1.00 34.34 C ATOM 447 CD LYS A 29 12.872 -8.871 2.507 1.00 1.42 C ATOM 448 CE LYS A 29 11.958 -8.048 3.402 1.00 54.34 C ATOM 449 NZ LYS A 29 12.107 -8.416 4.837 1.00 44.12 N ATOM 0 H LYS A 29 15.416 -9.976 0.936 1.00 43.43 H new ATOM 0 HA LYS A 29 14.650 -11.558 3.174 1.00 35.45 H new ATOM 0 HB2 LYS A 29 13.471 -10.550 0.634 1.00 32.43 H new ATOM 0 HB3 LYS A 29 12.763 -12.033 1.244 1.00 32.43 H new ATOM 0 HG2 LYS A 29 11.434 -10.446 2.280 1.00 34.34 H new ATOM 0 HG3 LYS A 29 12.629 -10.743 3.527 1.00 34.34 H new ATOM 0 HD2 LYS A 29 13.904 -8.758 2.838 1.00 1.42 H new ATOM 0 HD3 LYS A 29 12.821 -8.492 1.486 1.00 1.42 H new ATOM 0 HE2 LYS A 29 12.182 -6.989 3.274 1.00 54.34 H new ATOM 0 HE3 LYS A 29 10.922 -8.194 3.095 1.00 54.34 H new ATOM 0 HZ1 LYS A 29 11.545 -7.766 5.422 1.00 44.12 H new ATOM 0 HZ2 LYS A 29 11.772 -9.390 4.982 1.00 44.12 H new ATOM 0 HZ3 LYS A 29 13.108 -8.350 5.110 1.00 44.12 H new ATOM 463 N ILE A 30 15.318 -13.129 0.340 1.00 3.12 N ATOM 464 CA ILE A 30 15.652 -14.431 -0.224 1.00 41.21 C ATOM 465 C ILE A 30 17.049 -14.872 0.200 1.00 33.23 C ATOM 466 O ILE A 30 17.313 -16.064 0.357 1.00 43.33 O ATOM 467 CB ILE A 30 15.577 -14.414 -1.762 1.00 54.22 C ATOM 468 CG1 ILE A 30 14.159 -14.067 -2.221 1.00 52.12 C ATOM 469 CG2 ILE A 30 16.008 -15.758 -2.329 1.00 25.14 C ATOM 470 CD1 ILE A 30 13.918 -12.581 -2.368 1.00 12.21 C ATOM 0 H ILE A 30 15.342 -12.360 -0.330 1.00 3.12 H new ATOM 0 HA ILE A 30 14.918 -15.139 0.160 1.00 41.21 H new ATOM 0 HB ILE A 30 16.258 -13.649 -2.135 1.00 54.22 H new ATOM 0 HG12 ILE A 30 13.966 -14.554 -3.177 1.00 52.12 H new ATOM 0 HG13 ILE A 30 13.444 -14.474 -1.505 1.00 52.12 H new ATOM 0 HG21 ILE A 30 15.949 -15.730 -3.417 1.00 25.14 H new ATOM 0 HG22 ILE A 30 17.034 -15.969 -2.026 1.00 25.14 H new ATOM 0 HG23 ILE A 30 15.350 -16.540 -1.951 1.00 25.14 H new ATOM 0 HD11 ILE A 30 12.893 -12.409 -2.696 1.00 12.21 H new ATOM 0 HD12 ILE A 30 14.079 -12.090 -1.408 1.00 12.21 H new ATOM 0 HD13 ILE A 30 14.608 -12.172 -3.106 1.00 12.21 H new ATOM 482 N ALA A 31 17.938 -13.903 0.387 1.00 45.22 N ATOM 483 CA ALA A 31 19.307 -14.191 0.797 1.00 1.22 C ATOM 484 C ALA A 31 19.333 -15.038 2.065 1.00 44.01 C ATOM 485 O ALA A 31 20.002 -16.070 2.119 1.00 32.51 O ATOM 486 CB ALA A 31 20.078 -12.896 1.009 1.00 21.31 C ATOM 0 H ALA A 31 17.735 -12.911 0.261 1.00 45.22 H new ATOM 0 HA ALA A 31 19.787 -14.760 0.001 1.00 1.22 H new ATOM 0 HB1 ALA A 31 21.099 -13.126 1.315 1.00 21.31 H new ATOM 0 HB2 ALA A 31 20.097 -12.328 0.079 1.00 21.31 H new ATOM 0 HB3 ALA A 31 19.591 -12.306 1.785 1.00 21.31 H new ATOM 492 N ASP A 32 18.603 -14.595 3.082 1.00 2.32 N ATOM 493 CA ASP A 32 18.543 -15.313 4.350 1.00 13.30 C ATOM 494 C ASP A 32 17.633 -16.532 4.241 1.00 74.21 C ATOM 495 O ASP A 32 17.784 -17.502 4.984 1.00 64.34 O ATOM 496 CB ASP A 32 18.045 -14.387 5.461 1.00 21.34 C ATOM 497 CG ASP A 32 17.788 -15.127 6.759 1.00 24.44 C ATOM 498 OD1 ASP A 32 16.682 -14.978 7.319 1.00 74.41 O ATOM 499 OD2 ASP A 32 18.694 -15.856 7.215 1.00 31.24 O ATOM 0 H ASP A 32 18.044 -13.742 3.053 1.00 2.32 H new ATOM 0 HA ASP A 32 19.549 -15.654 4.595 1.00 13.30 H new ATOM 0 HB2 ASP A 32 18.781 -13.602 5.633 1.00 21.34 H new ATOM 0 HB3 ASP A 32 17.127 -13.897 5.137 1.00 21.34 H new ATOM 504 N LYS A 33 16.685 -16.476 3.311 1.00 44.22 N ATOM 505 CA LYS A 33 15.750 -17.575 3.103 1.00 11.31 C ATOM 506 C LYS A 33 16.472 -18.812 2.578 1.00 14.22 C ATOM 507 O LYS A 33 16.252 -19.921 3.063 1.00 73.33 O ATOM 508 CB LYS A 33 14.651 -17.158 2.123 1.00 41.01 C ATOM 509 CG LYS A 33 13.669 -18.271 1.801 1.00 14.15 C ATOM 510 CD LYS A 33 12.990 -18.795 3.056 1.00 70.11 C ATOM 511 CE LYS A 33 12.107 -17.735 3.697 1.00 44.04 C ATOM 512 NZ LYS A 33 11.450 -18.235 4.936 1.00 60.34 N ATOM 0 H LYS A 33 16.544 -15.680 2.689 1.00 44.22 H new ATOM 0 HA LYS A 33 15.297 -17.821 4.064 1.00 11.31 H new ATOM 0 HB2 LYS A 33 14.105 -16.313 2.541 1.00 41.01 H new ATOM 0 HB3 LYS A 33 15.113 -16.813 1.198 1.00 41.01 H new ATOM 0 HG2 LYS A 33 12.915 -17.903 1.105 1.00 14.15 H new ATOM 0 HG3 LYS A 33 14.192 -19.086 1.302 1.00 14.15 H new ATOM 0 HD2 LYS A 33 12.388 -19.669 2.807 1.00 70.11 H new ATOM 0 HD3 LYS A 33 13.746 -19.121 3.771 1.00 70.11 H new ATOM 0 HE2 LYS A 33 12.708 -16.857 3.934 1.00 44.04 H new ATOM 0 HE3 LYS A 33 11.345 -17.418 2.985 1.00 44.04 H new ATOM 0 HZ1 LYS A 33 10.857 -17.483 5.342 1.00 60.34 H new ATOM 0 HZ2 LYS A 33 10.857 -19.058 4.707 1.00 60.34 H new ATOM 0 HZ3 LYS A 33 12.177 -18.514 5.626 1.00 60.34 H new ATOM 526 N GLU A 34 17.334 -18.612 1.587 1.00 62.14 N ATOM 527 CA GLU A 34 18.088 -19.713 0.998 1.00 41.54 C ATOM 528 C GLU A 34 19.554 -19.653 1.416 1.00 23.25 C ATOM 529 O GLU A 34 20.396 -20.366 0.872 1.00 41.02 O ATOM 530 CB GLU A 34 17.980 -19.675 -0.528 1.00 43.23 C ATOM 531 CG GLU A 34 16.559 -19.829 -1.042 1.00 13.10 C ATOM 532 CD GLU A 34 16.412 -19.402 -2.489 1.00 51.45 C ATOM 533 OE1 GLU A 34 17.417 -19.458 -3.229 1.00 31.21 O ATOM 534 OE2 GLU A 34 15.293 -19.011 -2.883 1.00 2.42 O ATOM 0 H GLU A 34 17.528 -17.699 1.175 1.00 62.14 H new ATOM 0 HA GLU A 34 17.662 -20.648 1.363 1.00 41.54 H new ATOM 0 HB2 GLU A 34 18.388 -18.731 -0.889 1.00 43.23 H new ATOM 0 HB3 GLU A 34 18.597 -20.470 -0.947 1.00 43.23 H new ATOM 0 HG2 GLU A 34 16.251 -20.870 -0.941 1.00 13.10 H new ATOM 0 HG3 GLU A 34 15.886 -19.236 -0.422 1.00 13.10 H new ATOM 541 N GLY A 35 19.852 -18.796 2.389 1.00 72.33 N ATOM 542 CA GLY A 35 21.216 -18.658 2.864 1.00 30.41 C ATOM 543 C GLY A 35 22.201 -18.419 1.737 1.00 2.54 C ATOM 544 O GLY A 35 23.373 -18.783 1.839 1.00 13.11 O ATOM 0 H GLY A 35 19.173 -18.195 2.856 1.00 72.33 H new ATOM 0 HA2 GLY A 35 21.269 -17.830 3.571 1.00 30.41 H new ATOM 0 HA3 GLY A 35 21.501 -19.559 3.407 1.00 30.41 H new ATOM 548 N VAL A 36 21.726 -17.805 0.658 1.00 11.13 N ATOM 549 CA VAL A 36 22.573 -17.517 -0.493 1.00 71.31 C ATOM 550 C VAL A 36 22.844 -16.022 -0.616 1.00 61.10 C ATOM 551 O VAL A 36 22.061 -15.185 -0.167 1.00 51.11 O ATOM 552 CB VAL A 36 21.933 -18.021 -1.800 1.00 61.14 C ATOM 553 CG1 VAL A 36 21.860 -19.540 -1.808 1.00 61.45 C ATOM 554 CG2 VAL A 36 20.552 -17.412 -1.986 1.00 53.34 C ATOM 0 H VAL A 36 20.759 -17.497 0.557 1.00 11.13 H new ATOM 0 HA VAL A 36 23.515 -18.041 -0.332 1.00 71.31 H new ATOM 0 HB VAL A 36 22.559 -17.707 -2.635 1.00 61.14 H new ATOM 0 HG11 VAL A 36 21.405 -19.877 -2.739 1.00 61.45 H new ATOM 0 HG12 VAL A 36 22.865 -19.953 -1.725 1.00 61.45 H new ATOM 0 HG13 VAL A 36 21.257 -19.880 -0.966 1.00 61.45 H new ATOM 0 HG21 VAL A 36 20.115 -17.779 -2.914 1.00 53.34 H new ATOM 0 HG22 VAL A 36 19.914 -17.694 -1.148 1.00 53.34 H new ATOM 0 HG23 VAL A 36 20.636 -16.326 -2.029 1.00 53.34 H new ATOM 564 N PRO A 37 23.980 -15.676 -1.240 1.00 22.25 N ATOM 565 CA PRO A 37 24.381 -14.280 -1.437 1.00 60.15 C ATOM 566 C PRO A 37 23.493 -13.559 -2.446 1.00 31.41 C ATOM 567 O PRO A 37 23.060 -14.146 -3.438 1.00 33.23 O ATOM 568 CB PRO A 37 25.812 -14.394 -1.970 1.00 55.12 C ATOM 569 CG PRO A 37 25.873 -15.739 -2.607 1.00 32.41 C ATOM 570 CD PRO A 37 24.961 -16.621 -1.800 1.00 34.32 C ATOM 0 HA PRO A 37 24.298 -13.699 -0.519 1.00 60.15 H new ATOM 0 HB2 PRO A 37 26.030 -13.605 -2.690 1.00 55.12 H new ATOM 0 HB3 PRO A 37 26.542 -14.303 -1.166 1.00 55.12 H new ATOM 0 HG2 PRO A 37 25.551 -15.693 -3.647 1.00 32.41 H new ATOM 0 HG3 PRO A 37 26.892 -16.126 -2.605 1.00 32.41 H new ATOM 0 HD2 PRO A 37 24.481 -17.378 -2.421 1.00 34.32 H new ATOM 0 HD3 PRO A 37 25.503 -17.149 -1.016 1.00 34.32 H new ATOM 578 N VAL A 38 23.225 -12.283 -2.186 1.00 63.44 N ATOM 579 CA VAL A 38 22.390 -11.482 -3.073 1.00 13.15 C ATOM 580 C VAL A 38 23.022 -11.350 -4.454 1.00 33.53 C ATOM 581 O VAL A 38 22.332 -11.100 -5.442 1.00 52.30 O ATOM 582 CB VAL A 38 22.147 -10.075 -2.495 1.00 4.11 C ATOM 583 CG1 VAL A 38 21.509 -10.166 -1.117 1.00 44.31 C ATOM 584 CG2 VAL A 38 23.450 -9.291 -2.438 1.00 21.34 C ATOM 0 H VAL A 38 23.574 -11.782 -1.369 1.00 63.44 H new ATOM 0 HA VAL A 38 21.435 -12.001 -3.162 1.00 13.15 H new ATOM 0 HB VAL A 38 21.458 -9.545 -3.153 1.00 4.11 H new ATOM 0 HG11 VAL A 38 21.345 -9.162 -0.725 1.00 44.31 H new ATOM 0 HG12 VAL A 38 20.554 -10.687 -1.192 1.00 44.31 H new ATOM 0 HG13 VAL A 38 22.170 -10.714 -0.446 1.00 44.31 H new ATOM 0 HG21 VAL A 38 23.260 -8.299 -2.027 1.00 21.34 H new ATOM 0 HG22 VAL A 38 24.163 -9.816 -1.803 1.00 21.34 H new ATOM 0 HG23 VAL A 38 23.861 -9.195 -3.443 1.00 21.34 H new ATOM 594 N ASP A 39 24.338 -11.522 -4.515 1.00 14.24 N ATOM 595 CA ASP A 39 25.064 -11.424 -5.776 1.00 12.05 C ATOM 596 C ASP A 39 24.810 -12.651 -6.645 1.00 71.24 C ATOM 597 O ASP A 39 25.201 -12.688 -7.812 1.00 10.23 O ATOM 598 CB ASP A 39 26.563 -11.270 -5.515 1.00 11.34 C ATOM 599 CG ASP A 39 26.896 -9.975 -4.799 1.00 71.13 C ATOM 600 OD1 ASP A 39 28.098 -9.687 -4.622 1.00 22.22 O ATOM 601 OD2 ASP A 39 25.954 -9.249 -4.418 1.00 21.41 O ATOM 0 H ASP A 39 24.924 -11.730 -3.706 1.00 14.24 H new ATOM 0 HA ASP A 39 24.703 -10.543 -6.308 1.00 12.05 H new ATOM 0 HB2 ASP A 39 26.913 -12.112 -4.918 1.00 11.34 H new ATOM 0 HB3 ASP A 39 27.100 -11.306 -6.463 1.00 11.34 H new ATOM 606 N GLN A 40 24.154 -13.653 -6.069 1.00 61.31 N ATOM 607 CA GLN A 40 23.850 -14.883 -6.792 1.00 42.41 C ATOM 608 C GLN A 40 22.412 -14.875 -7.299 1.00 51.41 C ATOM 609 O GLN A 40 22.051 -15.654 -8.180 1.00 72.21 O ATOM 610 CB GLN A 40 24.080 -16.098 -5.892 1.00 74.34 C ATOM 611 CG GLN A 40 25.471 -16.696 -6.020 1.00 44.05 C ATOM 612 CD GLN A 40 25.602 -17.621 -7.215 1.00 12.24 C ATOM 613 OE1 GLN A 40 25.586 -17.177 -8.363 1.00 4.40 O ATOM 614 NE2 GLN A 40 25.731 -18.915 -6.950 1.00 24.53 N ATOM 0 H GLN A 40 23.823 -13.638 -5.104 1.00 61.31 H new ATOM 0 HA GLN A 40 24.518 -14.945 -7.651 1.00 42.41 H new ATOM 0 HB2 GLN A 40 23.912 -15.808 -4.855 1.00 74.34 H new ATOM 0 HB3 GLN A 40 23.341 -16.863 -6.133 1.00 74.34 H new ATOM 0 HG2 GLN A 40 26.201 -15.892 -6.106 1.00 44.05 H new ATOM 0 HG3 GLN A 40 25.710 -17.247 -5.111 1.00 44.05 H new ATOM 0 HE21 GLN A 40 25.739 -19.239 -5.983 1.00 24.53 H new ATOM 0 HE22 GLN A 40 25.822 -19.585 -7.713 1.00 24.53 H new ATOM 623 N GLN A 41 21.596 -13.989 -6.736 1.00 42.13 N ATOM 624 CA GLN A 41 20.197 -13.881 -7.131 1.00 52.04 C ATOM 625 C GLN A 41 19.970 -12.649 -8.001 1.00 0.54 C ATOM 626 O GLN A 41 20.564 -11.595 -7.768 1.00 75.30 O ATOM 627 CB GLN A 41 19.299 -13.820 -5.894 1.00 40.54 C ATOM 628 CG GLN A 41 19.349 -12.483 -5.172 1.00 42.11 C ATOM 629 CD GLN A 41 18.402 -12.422 -3.990 1.00 21.51 C ATOM 630 OE1 GLN A 41 17.106 -12.363 -4.272 1.00 74.25 O flip ATOM 631 NE2 GLN A 41 18.831 -12.429 -2.835 1.00 11.12 N flip ATOM 0 H GLN A 41 21.880 -13.336 -6.005 1.00 42.13 H new ATOM 0 HA GLN A 41 19.941 -14.766 -7.714 1.00 52.04 H new ATOM 0 HB2 GLN A 41 18.271 -14.025 -6.191 1.00 40.54 H new ATOM 0 HB3 GLN A 41 19.594 -14.609 -5.202 1.00 40.54 H new ATOM 0 HG2 GLN A 41 20.366 -12.298 -4.827 1.00 42.11 H new ATOM 0 HG3 GLN A 41 19.101 -11.686 -5.873 1.00 42.11 H new ATOM 0 HE21 GLN A 41 19.836 -12.475 -2.664 1.00 11.12 H new ATOM 0 HE22 GLN A 41 18.182 -12.389 -2.049 1.00 11.12 H new ATOM 640 N ARG A 42 19.108 -12.788 -9.003 1.00 2.34 N ATOM 641 CA ARG A 42 18.804 -11.686 -9.908 1.00 4.23 C ATOM 642 C ARG A 42 17.299 -11.559 -10.124 1.00 63.22 C ATOM 643 O ARG A 42 16.597 -12.559 -10.277 1.00 32.52 O ATOM 644 CB ARG A 42 19.508 -11.892 -11.250 1.00 40.23 C ATOM 645 CG ARG A 42 19.969 -10.598 -11.901 1.00 52.13 C ATOM 646 CD ARG A 42 20.186 -10.773 -13.396 1.00 63.01 C ATOM 647 NE ARG A 42 21.517 -10.336 -13.811 1.00 13.44 N ATOM 648 CZ ARG A 42 22.625 -11.029 -13.575 1.00 11.14 C ATOM 649 NH1 ARG A 42 22.562 -12.186 -12.931 1.00 23.31 N ATOM 650 NH2 ARG A 42 23.799 -10.565 -13.983 1.00 51.13 N ATOM 0 H ARG A 42 18.608 -13.653 -9.209 1.00 2.34 H new ATOM 0 HA ARG A 42 19.167 -10.764 -9.453 1.00 4.23 H new ATOM 0 HB2 ARG A 42 20.371 -12.542 -11.102 1.00 40.23 H new ATOM 0 HB3 ARG A 42 18.831 -12.410 -11.930 1.00 40.23 H new ATOM 0 HG2 ARG A 42 19.227 -9.818 -11.729 1.00 52.13 H new ATOM 0 HG3 ARG A 42 20.896 -10.265 -11.434 1.00 52.13 H new ATOM 0 HD2 ARG A 42 20.049 -11.821 -13.662 1.00 63.01 H new ATOM 0 HD3 ARG A 42 19.432 -10.205 -13.941 1.00 63.01 H new ATOM 0 HE ARG A 42 21.600 -9.450 -14.309 1.00 13.44 H new ATOM 0 HH11 ARG A 42 21.661 -12.546 -12.616 1.00 23.31 H new ATOM 0 HH12 ARG A 42 23.414 -12.717 -12.751 1.00 23.31 H new ATOM 0 HH21 ARG A 42 23.851 -9.675 -14.479 1.00 51.13 H new ATOM 0 HH22 ARG A 42 24.649 -11.098 -13.801 1.00 51.13 H new ATOM 664 N LEU A 43 16.810 -10.324 -10.136 1.00 24.12 N ATOM 665 CA LEU A 43 15.388 -10.066 -10.333 1.00 42.11 C ATOM 666 C LEU A 43 15.072 -9.861 -11.811 1.00 51.01 C ATOM 667 O LEU A 43 15.837 -9.225 -12.537 1.00 15.20 O ATOM 668 CB LEU A 43 14.957 -8.836 -9.532 1.00 61.02 C ATOM 669 CG LEU A 43 14.495 -9.097 -8.098 1.00 4.00 C ATOM 670 CD1 LEU A 43 14.320 -7.786 -7.347 1.00 74.30 C ATOM 671 CD2 LEU A 43 13.200 -9.895 -8.092 1.00 20.44 C ATOM 0 H LEU A 43 17.377 -9.485 -10.012 1.00 24.12 H new ATOM 0 HA LEU A 43 14.833 -10.935 -9.979 1.00 42.11 H new ATOM 0 HB2 LEU A 43 15.792 -8.136 -9.502 1.00 61.02 H new ATOM 0 HB3 LEU A 43 14.147 -8.343 -10.069 1.00 61.02 H new ATOM 0 HG LEU A 43 15.261 -9.683 -7.590 1.00 4.00 H new ATOM 0 HD11 LEU A 43 13.991 -7.991 -6.328 1.00 74.30 H new ATOM 0 HD12 LEU A 43 15.270 -7.252 -7.321 1.00 74.30 H new ATOM 0 HD13 LEU A 43 13.574 -7.174 -7.853 1.00 74.30 H new ATOM 0 HD21 LEU A 43 12.886 -10.071 -7.063 1.00 20.44 H new ATOM 0 HD22 LEU A 43 12.426 -9.336 -8.617 1.00 20.44 H new ATOM 0 HD23 LEU A 43 13.359 -10.851 -8.592 1.00 20.44 H new ATOM 683 N ILE A 44 13.940 -10.402 -12.249 1.00 41.11 N ATOM 684 CA ILE A 44 13.521 -10.275 -13.640 1.00 25.25 C ATOM 685 C ILE A 44 12.045 -9.909 -13.738 1.00 15.23 C ATOM 686 O ILE A 44 11.220 -10.397 -12.965 1.00 71.50 O ATOM 687 CB ILE A 44 13.769 -11.578 -14.423 1.00 12.02 C ATOM 688 CG1 ILE A 44 15.234 -12.001 -14.302 1.00 22.23 C ATOM 689 CG2 ILE A 44 13.382 -11.399 -15.883 1.00 64.34 C ATOM 690 CD1 ILE A 44 15.520 -13.365 -14.891 1.00 41.43 C ATOM 0 H ILE A 44 13.297 -10.932 -11.661 1.00 41.11 H new ATOM 0 HA ILE A 44 14.120 -9.477 -14.079 1.00 25.25 H new ATOM 0 HB ILE A 44 13.148 -12.365 -13.996 1.00 12.02 H new ATOM 0 HG12 ILE A 44 15.860 -11.261 -14.800 1.00 22.23 H new ATOM 0 HG13 ILE A 44 15.518 -12.002 -13.250 1.00 22.23 H new ATOM 0 HG21 ILE A 44 13.563 -12.328 -16.424 1.00 64.34 H new ATOM 0 HG22 ILE A 44 12.325 -11.140 -15.950 1.00 64.34 H new ATOM 0 HG23 ILE A 44 13.980 -10.601 -16.323 1.00 64.34 H new ATOM 0 HD11 ILE A 44 16.578 -13.599 -14.770 1.00 41.43 H new ATOM 0 HD12 ILE A 44 14.921 -14.116 -14.377 1.00 41.43 H new ATOM 0 HD13 ILE A 44 15.268 -13.363 -15.951 1.00 41.43 H new ATOM 702 N PHE A 45 11.717 -9.047 -14.694 1.00 52.34 N ATOM 703 CA PHE A 45 10.338 -8.615 -14.895 1.00 44.10 C ATOM 704 C PHE A 45 9.994 -8.567 -16.381 1.00 22.21 C ATOM 705 O PHE A 45 10.447 -7.682 -17.106 1.00 24.03 O ATOM 706 CB PHE A 45 10.116 -7.239 -14.264 1.00 13.10 C ATOM 707 CG PHE A 45 8.675 -6.815 -14.243 1.00 32.43 C ATOM 708 CD1 PHE A 45 7.950 -6.837 -13.062 1.00 40.41 C ATOM 709 CD2 PHE A 45 8.045 -6.396 -15.404 1.00 30.44 C ATOM 710 CE1 PHE A 45 6.624 -6.447 -13.039 1.00 20.11 C ATOM 711 CE2 PHE A 45 6.719 -6.005 -15.387 1.00 25.45 C ATOM 712 CZ PHE A 45 6.008 -6.032 -14.203 1.00 52.00 C ATOM 0 H PHE A 45 12.387 -8.633 -15.342 1.00 52.34 H new ATOM 0 HA PHE A 45 9.682 -9.339 -14.412 1.00 44.10 H new ATOM 0 HB2 PHE A 45 10.498 -7.250 -13.243 1.00 13.10 H new ATOM 0 HB3 PHE A 45 10.697 -6.498 -14.814 1.00 13.10 H new ATOM 0 HD1 PHE A 45 8.427 -7.163 -12.149 1.00 40.41 H new ATOM 0 HD2 PHE A 45 8.596 -6.375 -16.333 1.00 30.44 H new ATOM 0 HE1 PHE A 45 6.071 -6.467 -12.112 1.00 20.11 H new ATOM 0 HE2 PHE A 45 6.240 -5.679 -16.298 1.00 25.45 H new ATOM 0 HZ PHE A 45 4.972 -5.729 -14.188 1.00 52.00 H new ATOM 722 N ALA A 46 9.190 -9.527 -16.827 1.00 1.31 N ATOM 723 CA ALA A 46 8.784 -9.594 -18.225 1.00 75.10 C ATOM 724 C ALA A 46 9.996 -9.589 -19.150 1.00 52.41 C ATOM 725 O ALA A 46 9.926 -9.103 -20.278 1.00 51.51 O ATOM 726 CB ALA A 46 7.855 -8.436 -18.561 1.00 64.32 C ATOM 0 H ALA A 46 8.807 -10.269 -16.240 1.00 1.31 H new ATOM 0 HA ALA A 46 8.248 -10.531 -18.378 1.00 75.10 H new ATOM 0 HB1 ALA A 46 7.560 -8.499 -19.608 1.00 64.32 H new ATOM 0 HB2 ALA A 46 6.968 -8.487 -17.930 1.00 64.32 H new ATOM 0 HB3 ALA A 46 8.372 -7.492 -18.386 1.00 64.32 H new ATOM 732 N GLY A 47 11.108 -10.132 -18.664 1.00 51.03 N ATOM 733 CA GLY A 47 12.320 -10.178 -19.461 1.00 21.32 C ATOM 734 C GLY A 47 13.217 -8.979 -19.222 1.00 74.44 C ATOM 735 O GLY A 47 14.109 -8.693 -20.021 1.00 53.21 O ATOM 0 H GLY A 47 11.191 -10.541 -17.733 1.00 51.03 H new ATOM 0 HA2 GLY A 47 12.869 -11.091 -19.229 1.00 21.32 H new ATOM 0 HA3 GLY A 47 12.055 -10.225 -20.517 1.00 21.32 H new ATOM 739 N LYS A 48 12.979 -8.275 -18.121 1.00 64.01 N ATOM 740 CA LYS A 48 13.771 -7.100 -17.779 1.00 3.43 C ATOM 741 C LYS A 48 14.577 -7.338 -16.506 1.00 20.33 C ATOM 742 O LYS A 48 14.015 -7.638 -15.453 1.00 22.33 O ATOM 743 CB LYS A 48 12.862 -5.882 -17.599 1.00 4.43 C ATOM 744 CG LYS A 48 13.597 -4.555 -17.695 1.00 34.45 C ATOM 745 CD LYS A 48 13.523 -3.977 -19.098 1.00 21.42 C ATOM 746 CE LYS A 48 14.698 -3.055 -19.383 1.00 65.21 C ATOM 747 NZ LYS A 48 14.334 -1.622 -19.210 1.00 54.23 N ATOM 0 H LYS A 48 12.244 -8.498 -17.450 1.00 64.01 H new ATOM 0 HA LYS A 48 14.465 -6.910 -18.597 1.00 3.43 H new ATOM 0 HB2 LYS A 48 12.078 -5.909 -18.356 1.00 4.43 H new ATOM 0 HB3 LYS A 48 12.370 -5.946 -16.628 1.00 4.43 H new ATOM 0 HG2 LYS A 48 13.167 -3.848 -16.986 1.00 34.45 H new ATOM 0 HG3 LYS A 48 14.640 -4.695 -17.413 1.00 34.45 H new ATOM 0 HD2 LYS A 48 13.510 -4.788 -19.826 1.00 21.42 H new ATOM 0 HD3 LYS A 48 12.590 -3.427 -19.217 1.00 21.42 H new ATOM 0 HE2 LYS A 48 15.524 -3.303 -18.716 1.00 65.21 H new ATOM 0 HE3 LYS A 48 15.050 -3.220 -20.401 1.00 65.21 H new ATOM 0 HZ1 LYS A 48 14.345 -1.147 -20.135 1.00 54.23 H new ATOM 0 HZ2 LYS A 48 13.382 -1.553 -18.797 1.00 54.23 H new ATOM 0 HZ3 LYS A 48 15.020 -1.164 -18.577 1.00 54.23 H new ATOM 761 N GLN A 49 15.895 -7.202 -16.610 1.00 51.35 N ATOM 762 CA GLN A 49 16.777 -7.402 -15.467 1.00 34.05 C ATOM 763 C GLN A 49 16.707 -6.216 -14.511 1.00 14.51 C ATOM 764 O GLN A 49 17.028 -5.086 -14.882 1.00 44.01 O ATOM 765 CB GLN A 49 18.217 -7.609 -15.936 1.00 64.34 C ATOM 766 CG GLN A 49 18.446 -8.943 -16.628 1.00 72.44 C ATOM 767 CD GLN A 49 19.801 -9.026 -17.303 1.00 74.45 C ATOM 768 OE1 GLN A 49 20.775 -8.432 -16.841 1.00 51.02 O ATOM 769 NE2 GLN A 49 19.870 -9.766 -18.404 1.00 34.52 N ATOM 0 H GLN A 49 16.376 -6.954 -17.475 1.00 51.35 H new ATOM 0 HA GLN A 49 16.444 -8.294 -14.936 1.00 34.05 H new ATOM 0 HB2 GLN A 49 18.487 -6.804 -16.619 1.00 64.34 H new ATOM 0 HB3 GLN A 49 18.884 -7.535 -15.077 1.00 64.34 H new ATOM 0 HG2 GLN A 49 18.359 -9.747 -15.897 1.00 72.44 H new ATOM 0 HG3 GLN A 49 17.664 -9.102 -17.371 1.00 72.44 H new ATOM 0 HE21 GLN A 49 19.037 -10.241 -18.752 1.00 34.52 H new ATOM 0 HE22 GLN A 49 20.756 -9.859 -18.901 1.00 34.52 H new ATOM 778 N LEU A 50 16.284 -6.478 -13.279 1.00 71.53 N ATOM 779 CA LEU A 50 16.171 -5.432 -12.269 1.00 42.13 C ATOM 780 C LEU A 50 17.372 -5.451 -11.329 1.00 43.53 C ATOM 781 O LEU A 50 17.641 -6.454 -10.670 1.00 74.43 O ATOM 782 CB LEU A 50 14.880 -5.606 -11.468 1.00 54.23 C ATOM 783 CG LEU A 50 13.585 -5.636 -12.281 1.00 33.10 C ATOM 784 CD1 LEU A 50 13.184 -7.069 -12.593 1.00 71.53 C ATOM 785 CD2 LEU A 50 12.469 -4.919 -11.534 1.00 64.21 C ATOM 0 H LEU A 50 16.013 -7.407 -12.956 1.00 71.53 H new ATOM 0 HA LEU A 50 16.147 -4.469 -12.780 1.00 42.13 H new ATOM 0 HB2 LEU A 50 14.951 -6.534 -10.900 1.00 54.23 H new ATOM 0 HB3 LEU A 50 14.813 -4.794 -10.744 1.00 54.23 H new ATOM 0 HG LEU A 50 13.758 -5.115 -13.223 1.00 33.10 H new ATOM 0 HD11 LEU A 50 12.260 -7.071 -13.172 1.00 71.53 H new ATOM 0 HD12 LEU A 50 13.974 -7.551 -13.169 1.00 71.53 H new ATOM 0 HD13 LEU A 50 13.030 -7.615 -11.662 1.00 71.53 H new ATOM 0 HD21 LEU A 50 11.555 -4.950 -12.127 1.00 64.21 H new ATOM 0 HD22 LEU A 50 12.297 -5.411 -10.577 1.00 64.21 H new ATOM 0 HD23 LEU A 50 12.755 -3.881 -11.362 1.00 64.21 H new ATOM 797 N GLU A 51 18.090 -4.333 -11.272 1.00 51.11 N ATOM 798 CA GLU A 51 19.262 -4.222 -10.411 1.00 54.52 C ATOM 799 C GLU A 51 18.950 -3.384 -9.174 1.00 43.23 C ATOM 800 O GLU A 51 17.862 -2.822 -9.050 1.00 33.55 O ATOM 801 CB GLU A 51 20.430 -3.601 -11.180 1.00 52.12 C ATOM 802 CG GLU A 51 20.096 -2.263 -11.818 1.00 43.12 C ATOM 803 CD GLU A 51 21.285 -1.642 -12.526 1.00 54.32 C ATOM 804 OE1 GLU A 51 21.101 -0.599 -13.189 1.00 70.32 O ATOM 805 OE2 GLU A 51 22.397 -2.198 -12.418 1.00 5.51 O ATOM 0 H GLU A 51 17.881 -3.493 -11.811 1.00 51.11 H new ATOM 0 HA GLU A 51 19.541 -5.225 -10.089 1.00 54.52 H new ATOM 0 HB2 GLU A 51 21.272 -3.470 -10.501 1.00 52.12 H new ATOM 0 HB3 GLU A 51 20.752 -4.294 -11.957 1.00 52.12 H new ATOM 0 HG2 GLU A 51 19.283 -2.398 -12.531 1.00 43.12 H new ATOM 0 HG3 GLU A 51 19.737 -1.578 -11.050 1.00 43.12 H new ATOM 812 N ASP A 52 19.913 -3.305 -8.263 1.00 24.02 N ATOM 813 CA ASP A 52 19.744 -2.536 -7.035 1.00 54.05 C ATOM 814 C ASP A 52 19.406 -1.082 -7.348 1.00 14.41 C ATOM 815 O ASP A 52 18.788 -0.390 -6.539 1.00 13.14 O ATOM 816 CB ASP A 52 21.013 -2.606 -6.185 1.00 34.23 C ATOM 817 CG ASP A 52 22.234 -2.097 -6.924 1.00 2.51 C ATOM 818 OD1 ASP A 52 22.409 -0.862 -7.001 1.00 25.31 O ATOM 819 OD2 ASP A 52 23.015 -2.932 -7.425 1.00 4.03 O ATOM 0 H ASP A 52 20.820 -3.764 -8.351 1.00 24.02 H new ATOM 0 HA ASP A 52 18.917 -2.971 -6.474 1.00 54.05 H new ATOM 0 HB2 ASP A 52 20.871 -2.020 -5.277 1.00 34.23 H new ATOM 0 HB3 ASP A 52 21.183 -3.637 -5.876 1.00 34.23 H new ATOM 824 N SER A 53 19.816 -0.624 -8.526 1.00 51.05 N ATOM 825 CA SER A 53 19.561 0.750 -8.944 1.00 31.30 C ATOM 826 C SER A 53 18.138 0.901 -9.473 1.00 41.44 C ATOM 827 O SER A 53 17.601 2.007 -9.537 1.00 11.41 O ATOM 828 CB SER A 53 20.565 1.173 -10.018 1.00 13.40 C ATOM 829 OG SER A 53 20.477 2.564 -10.278 1.00 25.35 O ATOM 0 H SER A 53 20.326 -1.184 -9.209 1.00 51.05 H new ATOM 0 HA SER A 53 19.677 1.397 -8.074 1.00 31.30 H new ATOM 0 HB2 SER A 53 21.575 0.923 -9.694 1.00 13.40 H new ATOM 0 HB3 SER A 53 20.377 0.616 -10.936 1.00 13.40 H new ATOM 0 HG SER A 53 21.129 2.810 -10.967 1.00 25.35 H new ATOM 835 N LYS A 54 17.532 -0.219 -9.853 1.00 44.40 N ATOM 836 CA LYS A 54 16.171 -0.214 -10.376 1.00 45.53 C ATOM 837 C LYS A 54 15.156 -0.404 -9.254 1.00 23.30 C ATOM 838 O LYS A 54 15.368 -1.202 -8.340 1.00 12.23 O ATOM 839 CB LYS A 54 16.002 -1.316 -11.424 1.00 50.45 C ATOM 840 CG LYS A 54 16.800 -1.075 -12.694 1.00 74.05 C ATOM 841 CD LYS A 54 16.405 0.232 -13.362 1.00 20.14 C ATOM 842 CE LYS A 54 17.068 0.386 -14.722 1.00 22.22 C ATOM 843 NZ LYS A 54 16.685 1.663 -15.384 1.00 42.41 N ATOM 0 H LYS A 54 17.963 -1.143 -9.808 1.00 44.40 H new ATOM 0 HA LYS A 54 15.991 0.754 -10.843 1.00 45.53 H new ATOM 0 HB2 LYS A 54 16.305 -2.269 -10.990 1.00 50.45 H new ATOM 0 HB3 LYS A 54 14.946 -1.404 -11.680 1.00 50.45 H new ATOM 0 HG2 LYS A 54 17.864 -1.057 -12.458 1.00 74.05 H new ATOM 0 HG3 LYS A 54 16.641 -1.901 -13.387 1.00 74.05 H new ATOM 0 HD2 LYS A 54 15.322 0.270 -13.478 1.00 20.14 H new ATOM 0 HD3 LYS A 54 16.686 1.068 -12.722 1.00 20.14 H new ATOM 0 HE2 LYS A 54 18.151 0.348 -14.604 1.00 22.22 H new ATOM 0 HE3 LYS A 54 16.787 -0.452 -15.360 1.00 22.22 H new ATOM 0 HZ1 LYS A 54 17.157 1.730 -16.308 1.00 42.41 H new ATOM 0 HZ2 LYS A 54 15.654 1.688 -15.519 1.00 42.41 H new ATOM 0 HZ3 LYS A 54 16.975 2.464 -14.788 1.00 42.41 H new ATOM 857 N THR A 55 14.052 0.332 -9.330 1.00 33.24 N ATOM 858 CA THR A 55 13.004 0.243 -8.321 1.00 13.33 C ATOM 859 C THR A 55 11.621 0.250 -8.962 1.00 51.22 C ATOM 860 O THR A 55 11.480 0.528 -10.153 1.00 24.32 O ATOM 861 CB THR A 55 13.095 1.404 -7.312 1.00 42.24 C ATOM 862 OG1 THR A 55 13.090 2.657 -8.006 1.00 22.02 O ATOM 863 CG2 THR A 55 14.356 1.290 -6.469 1.00 43.52 C ATOM 0 H THR A 55 13.860 0.996 -10.080 1.00 33.24 H new ATOM 0 HA THR A 55 13.153 -0.700 -7.794 1.00 13.33 H new ATOM 0 HB THR A 55 12.230 1.352 -6.651 1.00 42.24 H new ATOM 0 HG1 THR A 55 13.147 3.390 -7.358 1.00 22.02 H new ATOM 0 HG21 THR A 55 14.399 2.120 -5.764 1.00 43.52 H new ATOM 0 HG22 THR A 55 14.343 0.348 -5.920 1.00 43.52 H new ATOM 0 HG23 THR A 55 15.231 1.320 -7.118 1.00 43.52 H new ATOM 871 N MET A 56 10.602 -0.056 -8.165 1.00 65.33 N ATOM 872 CA MET A 56 9.230 -0.083 -8.656 1.00 74.24 C ATOM 873 C MET A 56 8.871 1.232 -9.341 1.00 2.11 C ATOM 874 O MET A 56 8.158 1.246 -10.344 1.00 2.43 O ATOM 875 CB MET A 56 8.259 -0.354 -7.505 1.00 52.34 C ATOM 876 CG MET A 56 8.553 -1.641 -6.752 1.00 52.12 C ATOM 877 SD MET A 56 8.530 -3.092 -7.822 1.00 31.21 S ATOM 878 CE MET A 56 9.550 -4.224 -6.879 1.00 53.55 C ATOM 0 H MET A 56 10.701 -0.289 -7.177 1.00 65.33 H new ATOM 0 HA MET A 56 9.148 -0.887 -9.388 1.00 74.24 H new ATOM 0 HB2 MET A 56 8.294 0.482 -6.806 1.00 52.34 H new ATOM 0 HB3 MET A 56 7.244 -0.397 -7.900 1.00 52.34 H new ATOM 0 HG2 MET A 56 9.529 -1.563 -6.274 1.00 52.12 H new ATOM 0 HG3 MET A 56 7.818 -1.769 -5.957 1.00 52.12 H new ATOM 0 HE1 MET A 56 9.219 -5.247 -7.058 1.00 53.55 H new ATOM 0 HE2 MET A 56 10.590 -4.120 -7.188 1.00 53.55 H new ATOM 0 HE3 MET A 56 9.462 -3.995 -5.817 1.00 53.55 H new ATOM 888 N ALA A 57 9.370 2.335 -8.792 1.00 22.20 N ATOM 889 CA ALA A 57 9.104 3.654 -9.351 1.00 54.30 C ATOM 890 C ALA A 57 9.818 3.840 -10.685 1.00 62.23 C ATOM 891 O ALA A 57 9.350 4.575 -11.554 1.00 53.43 O ATOM 892 CB ALA A 57 9.524 4.738 -8.370 1.00 5.14 C ATOM 0 H ALA A 57 9.961 2.341 -7.960 1.00 22.20 H new ATOM 0 HA ALA A 57 8.032 3.736 -9.529 1.00 54.30 H new ATOM 0 HB1 ALA A 57 9.319 5.718 -8.801 1.00 5.14 H new ATOM 0 HB2 ALA A 57 8.964 4.626 -7.442 1.00 5.14 H new ATOM 0 HB3 ALA A 57 10.590 4.648 -8.163 1.00 5.14 H new ATOM 898 N ASP A 58 10.954 3.169 -10.841 1.00 4.23 N ATOM 899 CA ASP A 58 11.734 3.260 -12.070 1.00 32.01 C ATOM 900 C ASP A 58 11.041 2.518 -13.209 1.00 24.55 C ATOM 901 O ASP A 58 10.911 3.040 -14.316 1.00 4.43 O ATOM 902 CB ASP A 58 13.137 2.691 -11.853 1.00 11.35 C ATOM 903 CG ASP A 58 13.840 3.322 -10.667 1.00 0.31 C ATOM 904 OD1 ASP A 58 13.343 4.350 -10.160 1.00 33.34 O ATOM 905 OD2 ASP A 58 14.887 2.788 -10.246 1.00 2.43 O ATOM 0 H ASP A 58 11.355 2.556 -10.131 1.00 4.23 H new ATOM 0 HA ASP A 58 11.816 4.312 -12.342 1.00 32.01 H new ATOM 0 HB2 ASP A 58 13.070 1.614 -11.701 1.00 11.35 H new ATOM 0 HB3 ASP A 58 13.733 2.849 -12.752 1.00 11.35 H new ATOM 910 N TYR A 59 10.600 1.296 -12.929 1.00 51.33 N ATOM 911 CA TYR A 59 9.924 0.480 -13.931 1.00 11.31 C ATOM 912 C TYR A 59 8.419 0.733 -13.915 1.00 5.14 C ATOM 913 O TYR A 59 7.666 0.111 -14.662 1.00 22.30 O ATOM 914 CB TYR A 59 10.206 -1.003 -13.686 1.00 13.04 C ATOM 915 CG TYR A 59 11.579 -1.442 -14.142 1.00 32.03 C ATOM 916 CD1 TYR A 59 12.043 -1.129 -15.414 1.00 34.13 C ATOM 917 CD2 TYR A 59 12.412 -2.170 -13.302 1.00 32.34 C ATOM 918 CE1 TYR A 59 13.296 -1.529 -15.835 1.00 41.42 C ATOM 919 CE2 TYR A 59 13.667 -2.573 -13.714 1.00 43.31 C ATOM 920 CZ TYR A 59 14.105 -2.250 -14.982 1.00 12.33 C ATOM 921 OH TYR A 59 15.354 -2.650 -15.397 1.00 2.11 O ATOM 0 H TYR A 59 10.698 0.849 -12.017 1.00 51.33 H new ATOM 0 HA TYR A 59 10.310 0.759 -14.911 1.00 11.31 H new ATOM 0 HB2 TYR A 59 10.102 -1.213 -12.622 1.00 13.04 H new ATOM 0 HB3 TYR A 59 9.453 -1.598 -14.203 1.00 13.04 H new ATOM 0 HD1 TYR A 59 11.413 -0.563 -16.085 1.00 34.13 H new ATOM 0 HD2 TYR A 59 12.072 -2.425 -12.309 1.00 32.34 H new ATOM 0 HE1 TYR A 59 13.641 -1.278 -16.827 1.00 41.42 H new ATOM 0 HE2 TYR A 59 14.302 -3.138 -13.048 1.00 43.31 H new ATOM 0 HH TYR A 59 15.563 -3.525 -15.009 1.00 2.11 H new ATOM 931 N ASN A 60 7.990 1.652 -13.056 1.00 51.53 N ATOM 932 CA ASN A 60 6.576 1.989 -12.941 1.00 55.24 C ATOM 933 C ASN A 60 5.732 0.733 -12.745 1.00 54.53 C ATOM 934 O ASN A 60 4.619 0.634 -13.263 1.00 51.23 O ATOM 935 CB ASN A 60 6.106 2.743 -14.187 1.00 45.14 C ATOM 936 CG ASN A 60 4.858 3.565 -13.930 1.00 60.33 C ATOM 937 OD1 ASN A 60 3.779 3.248 -14.432 1.00 1.41 O ATOM 938 ND2 ASN A 60 5.000 4.626 -13.145 1.00 51.33 N ATOM 0 H ASN A 60 8.601 2.176 -12.430 1.00 51.53 H new ATOM 0 HA ASN A 60 6.451 2.630 -12.068 1.00 55.24 H new ATOM 0 HB2 ASN A 60 6.904 3.399 -14.534 1.00 45.14 H new ATOM 0 HB3 ASN A 60 5.909 2.030 -14.987 1.00 45.14 H new ATOM 0 HD21 ASN A 60 4.195 5.217 -12.936 1.00 51.33 H new ATOM 0 HD22 ASN A 60 5.914 4.850 -12.751 1.00 51.33 H new ATOM 945 N ILE A 61 6.268 -0.222 -11.994 1.00 23.00 N ATOM 946 CA ILE A 61 5.564 -1.470 -11.728 1.00 70.21 C ATOM 947 C ILE A 61 5.102 -1.542 -10.277 1.00 30.33 C ATOM 948 O ILE A 61 5.918 -1.610 -9.358 1.00 65.35 O ATOM 949 CB ILE A 61 6.449 -2.692 -12.035 1.00 24.54 C ATOM 950 CG1 ILE A 61 7.857 -2.483 -11.474 1.00 24.24 C ATOM 951 CG2 ILE A 61 6.503 -2.945 -13.534 1.00 31.21 C ATOM 952 CD1 ILE A 61 8.781 -3.658 -11.706 1.00 23.21 C ATOM 0 H ILE A 61 7.188 -0.156 -11.559 1.00 23.00 H new ATOM 0 HA ILE A 61 4.694 -1.488 -12.385 1.00 70.21 H new ATOM 0 HB ILE A 61 6.012 -3.567 -11.554 1.00 24.54 H new ATOM 0 HG12 ILE A 61 8.292 -1.594 -11.929 1.00 24.24 H new ATOM 0 HG13 ILE A 61 7.788 -2.292 -10.403 1.00 24.24 H new ATOM 0 HG21 ILE A 61 7.133 -3.812 -13.734 1.00 31.21 H new ATOM 0 HG22 ILE A 61 5.497 -3.133 -13.908 1.00 31.21 H new ATOM 0 HG23 ILE A 61 6.919 -2.071 -14.036 1.00 31.21 H new ATOM 0 HD11 ILE A 61 9.761 -3.439 -11.282 1.00 23.21 H new ATOM 0 HD12 ILE A 61 8.368 -4.546 -11.227 1.00 23.21 H new ATOM 0 HD13 ILE A 61 8.880 -3.837 -12.777 1.00 23.21 H new ATOM 964 N GLN A 62 3.788 -1.529 -10.078 1.00 52.34 N ATOM 965 CA GLN A 62 3.217 -1.594 -8.738 1.00 43.21 C ATOM 966 C GLN A 62 1.781 -2.105 -8.782 1.00 50.30 C ATOM 967 O GLN A 62 1.275 -2.477 -9.841 1.00 22.31 O ATOM 968 CB GLN A 62 3.261 -0.216 -8.075 1.00 20.01 C ATOM 969 CG GLN A 62 4.609 0.119 -7.457 1.00 13.05 C ATOM 970 CD GLN A 62 4.501 1.140 -6.341 1.00 44.55 C ATOM 971 OE1 GLN A 62 4.577 0.798 -5.161 1.00 40.31 O ATOM 972 NE2 GLN A 62 4.324 2.404 -6.711 1.00 23.35 N ATOM 0 H GLN A 62 3.099 -1.474 -10.828 1.00 52.34 H new ATOM 0 HA GLN A 62 3.813 -2.292 -8.150 1.00 43.21 H new ATOM 0 HB2 GLN A 62 3.012 0.543 -8.817 1.00 20.01 H new ATOM 0 HB3 GLN A 62 2.494 -0.169 -7.302 1.00 20.01 H new ATOM 0 HG2 GLN A 62 5.063 -0.792 -7.068 1.00 13.05 H new ATOM 0 HG3 GLN A 62 5.275 0.501 -8.231 1.00 13.05 H new ATOM 0 HE21 GLN A 62 4.267 2.642 -7.701 1.00 23.35 H new ATOM 0 HE22 GLN A 62 4.245 3.136 -6.005 1.00 23.35 H new ATOM 981 N LYS A 63 1.128 -2.120 -7.625 1.00 21.01 N ATOM 982 CA LYS A 63 -0.251 -2.584 -7.530 1.00 22.30 C ATOM 983 C LYS A 63 -0.367 -4.039 -7.975 1.00 11.32 C ATOM 984 O LYS A 63 -0.824 -4.324 -9.081 1.00 53.40 O ATOM 985 CB LYS A 63 -1.167 -1.704 -8.383 1.00 61.13 C ATOM 986 CG LYS A 63 -1.214 -0.255 -7.929 1.00 61.44 C ATOM 987 CD LYS A 63 -0.363 0.636 -8.819 1.00 32.40 C ATOM 988 CE LYS A 63 -1.037 0.893 -10.158 1.00 72.30 C ATOM 989 NZ LYS A 63 -0.494 0.013 -11.230 1.00 54.21 N ATOM 0 H LYS A 63 1.532 -1.816 -6.739 1.00 21.01 H new ATOM 0 HA LYS A 63 -0.560 -2.515 -6.487 1.00 22.30 H new ATOM 0 HB2 LYS A 63 -0.830 -1.741 -9.419 1.00 61.13 H new ATOM 0 HB3 LYS A 63 -2.176 -2.116 -8.361 1.00 61.13 H new ATOM 0 HG2 LYS A 63 -2.245 0.097 -7.940 1.00 61.44 H new ATOM 0 HG3 LYS A 63 -0.863 -0.184 -6.899 1.00 61.44 H new ATOM 0 HD2 LYS A 63 -0.178 1.585 -8.315 1.00 32.40 H new ATOM 0 HD3 LYS A 63 0.608 0.168 -8.983 1.00 32.40 H new ATOM 0 HE2 LYS A 63 -2.110 0.728 -10.062 1.00 72.30 H new ATOM 0 HE3 LYS A 63 -0.899 1.937 -10.440 1.00 72.30 H new ATOM 0 HZ1 LYS A 63 -0.056 0.598 -11.970 1.00 54.21 H new ATOM 0 HZ2 LYS A 63 0.220 -0.626 -10.826 1.00 54.21 H new ATOM 0 HZ3 LYS A 63 -1.266 -0.548 -11.643 1.00 54.21 H new ATOM 1003 N GLU A 64 0.048 -4.954 -7.105 1.00 23.03 N ATOM 1004 CA GLU A 64 -0.011 -6.379 -7.409 1.00 44.24 C ATOM 1005 C GLU A 64 0.882 -6.718 -8.600 1.00 55.11 C ATOM 1006 O GLU A 64 0.664 -7.715 -9.288 1.00 70.12 O ATOM 1007 CB GLU A 64 -1.452 -6.801 -7.701 1.00 61.33 C ATOM 1008 CG GLU A 64 -2.466 -6.216 -6.733 1.00 41.52 C ATOM 1009 CD GLU A 64 -3.580 -7.188 -6.396 1.00 42.41 C ATOM 1010 OE1 GLU A 64 -4.239 -6.995 -5.353 1.00 11.20 O ATOM 1011 OE2 GLU A 64 -3.792 -8.141 -7.174 1.00 52.44 O ATOM 0 H GLU A 64 0.429 -4.734 -6.185 1.00 23.03 H new ATOM 0 HA GLU A 64 0.351 -6.926 -6.538 1.00 44.24 H new ATOM 0 HB2 GLU A 64 -1.712 -6.496 -8.715 1.00 61.33 H new ATOM 0 HB3 GLU A 64 -1.517 -7.889 -7.668 1.00 61.33 H new ATOM 0 HG2 GLU A 64 -1.958 -5.920 -5.815 1.00 41.52 H new ATOM 0 HG3 GLU A 64 -2.896 -5.312 -7.165 1.00 41.52 H new ATOM 1018 N SER A 65 1.886 -5.880 -8.837 1.00 21.42 N ATOM 1019 CA SER A 65 2.809 -6.088 -9.946 1.00 41.05 C ATOM 1020 C SER A 65 3.355 -7.513 -9.940 1.00 3.55 C ATOM 1021 O SER A 65 3.806 -8.013 -8.908 1.00 51.04 O ATOM 1022 CB SER A 65 3.963 -5.087 -9.872 1.00 4.34 C ATOM 1023 OG SER A 65 3.885 -4.139 -10.922 1.00 44.03 O ATOM 0 H SER A 65 2.081 -5.051 -8.276 1.00 21.42 H new ATOM 0 HA SER A 65 2.261 -5.932 -10.875 1.00 41.05 H new ATOM 0 HB2 SER A 65 3.941 -4.573 -8.911 1.00 4.34 H new ATOM 0 HB3 SER A 65 4.913 -5.618 -9.927 1.00 4.34 H new ATOM 0 HG SER A 65 4.135 -4.566 -11.768 1.00 44.03 H new ATOM 1029 N THR A 66 3.312 -8.162 -11.099 1.00 31.02 N ATOM 1030 CA THR A 66 3.801 -9.529 -11.228 1.00 15.03 C ATOM 1031 C THR A 66 5.310 -9.556 -11.441 1.00 13.41 C ATOM 1032 O THR A 66 5.804 -9.167 -12.500 1.00 24.20 O ATOM 1033 CB THR A 66 3.115 -10.263 -12.396 1.00 44.41 C ATOM 1034 OG1 THR A 66 1.696 -10.262 -12.210 1.00 33.43 O ATOM 1035 CG2 THR A 66 3.618 -11.694 -12.505 1.00 35.41 C ATOM 0 H THR A 66 2.943 -7.763 -11.962 1.00 31.02 H new ATOM 0 HA THR A 66 3.560 -10.040 -10.296 1.00 15.03 H new ATOM 0 HB THR A 66 3.359 -9.738 -13.320 1.00 44.41 H new ATOM 0 HG1 THR A 66 1.268 -10.729 -12.958 1.00 33.43 H new ATOM 0 HG21 THR A 66 3.120 -12.192 -13.336 1.00 35.41 H new ATOM 0 HG22 THR A 66 4.694 -11.689 -12.677 1.00 35.41 H new ATOM 0 HG23 THR A 66 3.401 -12.227 -11.580 1.00 35.41 H new ATOM 1043 N LEU A 67 6.037 -10.017 -10.429 1.00 42.55 N ATOM 1044 CA LEU A 67 7.492 -10.095 -10.507 1.00 11.24 C ATOM 1045 C LEU A 67 7.951 -11.538 -10.686 1.00 32.30 C ATOM 1046 O LEU A 67 7.188 -12.477 -10.455 1.00 54.21 O ATOM 1047 CB LEU A 67 8.122 -9.500 -9.246 1.00 32.33 C ATOM 1048 CG LEU A 67 9.631 -9.263 -9.297 1.00 65.25 C ATOM 1049 CD1 LEU A 67 9.999 -8.429 -10.514 1.00 44.34 C ATOM 1050 CD2 LEU A 67 10.109 -8.587 -8.021 1.00 22.14 C ATOM 0 H LEU A 67 5.644 -10.342 -9.546 1.00 42.55 H new ATOM 0 HA LEU A 67 7.816 -9.520 -11.374 1.00 11.24 H new ATOM 0 HB2 LEU A 67 7.632 -8.550 -9.033 1.00 32.33 H new ATOM 0 HB3 LEU A 67 7.907 -10.164 -8.409 1.00 32.33 H new ATOM 0 HG LEU A 67 10.128 -10.229 -9.380 1.00 65.25 H new ATOM 0 HD11 LEU A 67 11.077 -8.270 -10.534 1.00 44.34 H new ATOM 0 HD12 LEU A 67 9.692 -8.952 -11.420 1.00 44.34 H new ATOM 0 HD13 LEU A 67 9.491 -7.466 -10.462 1.00 44.34 H new ATOM 0 HD21 LEU A 67 11.186 -8.426 -8.076 1.00 22.14 H new ATOM 0 HD22 LEU A 67 9.604 -7.628 -7.906 1.00 22.14 H new ATOM 0 HD23 LEU A 67 9.880 -9.222 -7.165 1.00 22.14 H new ATOM 1062 N HIS A 68 9.203 -11.709 -11.097 1.00 43.12 N ATOM 1063 CA HIS A 68 9.765 -13.039 -11.305 1.00 4.23 C ATOM 1064 C HIS A 68 11.068 -13.205 -10.528 1.00 61.31 C ATOM 1065 O HIS A 68 12.010 -12.434 -10.706 1.00 3.15 O ATOM 1066 CB HIS A 68 10.011 -13.285 -12.794 1.00 34.34 C ATOM 1067 CG HIS A 68 8.819 -12.993 -13.653 1.00 64.12 C ATOM 1068 ND1 HIS A 68 8.244 -11.818 -13.999 1.00 40.14 N flip ATOM 1069 CD2 HIS A 68 8.074 -13.978 -14.266 1.00 44.43 C flip ATOM 1070 CE1 HIS A 68 7.174 -12.111 -14.808 1.00 1.21 C flip ATOM 1071 NE2 HIS A 68 7.093 -13.421 -14.954 1.00 11.50 N flip ATOM 0 H HIS A 68 9.848 -10.943 -11.293 1.00 43.12 H new ATOM 0 HA HIS A 68 9.047 -13.772 -10.937 1.00 4.23 H new ATOM 0 HB2 HIS A 68 10.846 -12.667 -13.123 1.00 34.34 H new ATOM 0 HB3 HIS A 68 10.307 -14.324 -12.938 1.00 34.34 H new ATOM 0 HD2 HIS A 68 8.263 -15.039 -14.195 1.00 44.43 H new ATOM 0 HE1 HIS A 68 6.507 -11.388 -15.253 1.00 1.21 H new ATOM 0 HE2 HIS A 68 6.393 -13.918 -15.504 1.00 11.50 H new ATOM 1079 N MET A 69 11.113 -14.217 -9.667 1.00 12.41 N ATOM 1080 CA MET A 69 12.300 -14.484 -8.864 1.00 4.22 C ATOM 1081 C MET A 69 12.834 -15.887 -9.133 1.00 21.21 C ATOM 1082 O MET A 69 12.081 -16.861 -9.121 1.00 64.34 O ATOM 1083 CB MET A 69 11.983 -14.323 -7.376 1.00 13.01 C ATOM 1084 CG MET A 69 13.208 -14.407 -6.480 1.00 61.03 C ATOM 1085 SD MET A 69 14.311 -12.995 -6.679 1.00 4.25 S ATOM 1086 CE MET A 69 15.846 -13.820 -7.092 1.00 44.21 C ATOM 0 H MET A 69 10.341 -14.865 -9.508 1.00 12.41 H new ATOM 0 HA MET A 69 13.067 -13.762 -9.144 1.00 4.22 H new ATOM 0 HB2 MET A 69 11.494 -13.362 -7.219 1.00 13.01 H new ATOM 0 HB3 MET A 69 11.272 -15.094 -7.079 1.00 13.01 H new ATOM 0 HG2 MET A 69 12.889 -14.470 -5.440 1.00 61.03 H new ATOM 0 HG3 MET A 69 13.754 -15.324 -6.702 1.00 61.03 H new ATOM 0 HE1 MET A 69 16.641 -13.081 -7.193 1.00 44.21 H new ATOM 0 HE2 MET A 69 16.105 -14.525 -6.301 1.00 44.21 H new ATOM 0 HE3 MET A 69 15.728 -14.358 -8.033 1.00 44.21 H new ATOM 1096 N VAL A 70 14.138 -15.983 -9.375 1.00 74.43 N ATOM 1097 CA VAL A 70 14.772 -17.268 -9.647 1.00 10.14 C ATOM 1098 C VAL A 70 15.539 -17.770 -8.429 1.00 21.04 C ATOM 1099 O VAL A 70 16.077 -16.981 -7.651 1.00 11.51 O ATOM 1100 CB VAL A 70 15.736 -17.176 -10.845 1.00 33.04 C ATOM 1101 CG1 VAL A 70 14.960 -17.000 -12.141 1.00 44.14 C ATOM 1102 CG2 VAL A 70 16.725 -16.037 -10.646 1.00 73.32 C ATOM 0 H VAL A 70 14.775 -15.187 -9.388 1.00 74.43 H new ATOM 0 HA VAL A 70 13.974 -17.971 -9.886 1.00 10.14 H new ATOM 0 HB VAL A 70 16.299 -18.107 -10.910 1.00 33.04 H new ATOM 0 HG11 VAL A 70 15.657 -16.937 -12.977 1.00 44.14 H new ATOM 0 HG12 VAL A 70 14.296 -17.852 -12.286 1.00 44.14 H new ATOM 0 HG13 VAL A 70 14.370 -16.085 -12.091 1.00 44.14 H new ATOM 0 HG21 VAL A 70 17.399 -15.986 -11.502 1.00 73.32 H new ATOM 0 HG22 VAL A 70 16.183 -15.096 -10.555 1.00 73.32 H new ATOM 0 HG23 VAL A 70 17.303 -16.212 -9.739 1.00 73.32 H new ATOM 1112 N LEU A 71 15.587 -19.088 -8.268 1.00 54.14 N ATOM 1113 CA LEU A 71 16.289 -19.697 -7.144 1.00 62.14 C ATOM 1114 C LEU A 71 17.493 -20.501 -7.626 1.00 34.43 C ATOM 1115 O LEU A 71 17.425 -21.188 -8.645 1.00 41.14 O ATOM 1116 CB LEU A 71 15.341 -20.600 -6.354 1.00 31.41 C ATOM 1117 CG LEU A 71 14.625 -21.688 -7.156 1.00 51.51 C ATOM 1118 CD1 LEU A 71 15.470 -22.950 -7.217 1.00 23.33 C ATOM 1119 CD2 LEU A 71 13.261 -21.985 -6.551 1.00 74.34 C ATOM 0 H LEU A 71 15.148 -19.755 -8.902 1.00 54.14 H new ATOM 0 HA LEU A 71 16.645 -18.898 -6.494 1.00 62.14 H new ATOM 0 HB2 LEU A 71 15.909 -21.079 -5.556 1.00 31.41 H new ATOM 0 HB3 LEU A 71 14.588 -19.973 -5.877 1.00 31.41 H new ATOM 0 HG LEU A 71 14.478 -21.326 -8.173 1.00 51.51 H new ATOM 0 HD11 LEU A 71 14.944 -23.713 -7.792 1.00 23.33 H new ATOM 0 HD12 LEU A 71 16.423 -22.727 -7.697 1.00 23.33 H new ATOM 0 HD13 LEU A 71 15.650 -23.317 -6.206 1.00 23.33 H new ATOM 0 HD21 LEU A 71 12.766 -22.761 -7.134 1.00 74.34 H new ATOM 0 HD22 LEU A 71 13.385 -22.327 -5.523 1.00 74.34 H new ATOM 0 HD23 LEU A 71 12.654 -21.080 -6.561 1.00 74.34 H new ATOM 1131 N ARG A 72 18.592 -20.413 -6.884 1.00 72.01 N ATOM 1132 CA ARG A 72 19.810 -21.133 -7.235 1.00 31.23 C ATOM 1133 C ARG A 72 20.059 -22.285 -6.265 1.00 53.11 C ATOM 1134 O ARG A 72 19.770 -22.180 -5.072 1.00 43.22 O ATOM 1135 CB ARG A 72 21.008 -20.183 -7.232 1.00 45.43 C ATOM 1136 CG ARG A 72 21.071 -19.278 -8.452 1.00 54.30 C ATOM 1137 CD ARG A 72 21.670 -19.998 -9.650 1.00 13.21 C ATOM 1138 NE ARG A 72 23.125 -20.087 -9.563 1.00 52.14 N ATOM 1139 CZ ARG A 72 23.879 -20.696 -10.471 1.00 61.05 C ATOM 1140 NH1 ARG A 72 23.319 -21.266 -11.529 1.00 74.21 N ATOM 1141 NH2 ARG A 72 25.197 -20.735 -10.323 1.00 21.12 N ATOM 0 H ARG A 72 18.664 -19.850 -6.036 1.00 72.01 H new ATOM 0 HA ARG A 72 19.683 -21.544 -8.236 1.00 31.23 H new ATOM 0 HB2 ARG A 72 20.969 -19.566 -6.334 1.00 45.43 H new ATOM 0 HB3 ARG A 72 21.925 -20.769 -7.177 1.00 45.43 H new ATOM 0 HG2 ARG A 72 20.068 -18.929 -8.700 1.00 54.30 H new ATOM 0 HG3 ARG A 72 21.667 -18.395 -8.221 1.00 54.30 H new ATOM 0 HD2 ARG A 72 21.249 -21.001 -9.718 1.00 13.21 H new ATOM 0 HD3 ARG A 72 21.393 -19.473 -10.564 1.00 13.21 H new ATOM 0 HE ARG A 72 23.587 -19.658 -8.761 1.00 52.14 H new ATOM 0 HH11 ARG A 72 22.306 -21.238 -11.647 1.00 74.21 H new ATOM 0 HH12 ARG A 72 23.901 -21.733 -12.225 1.00 74.21 H new ATOM 0 HH21 ARG A 72 25.632 -20.297 -9.511 1.00 21.12 H new ATOM 0 HH22 ARG A 72 25.775 -21.203 -11.021 1.00 21.12 H new ATOM 1155 N LEU A 73 20.595 -23.384 -6.785 1.00 10.51 N ATOM 1156 CA LEU A 73 20.883 -24.556 -5.966 1.00 15.12 C ATOM 1157 C LEU A 73 19.608 -25.100 -5.327 1.00 45.14 C ATOM 1158 O LEU A 73 19.622 -25.557 -4.184 1.00 74.45 O ATOM 1159 CB LEU A 73 21.902 -24.206 -4.880 1.00 34.40 C ATOM 1160 CG LEU A 73 23.213 -23.587 -5.365 1.00 12.55 C ATOM 1161 CD1 LEU A 73 23.934 -22.897 -4.217 1.00 14.04 C ATOM 1162 CD2 LEU A 73 24.103 -24.647 -5.995 1.00 61.24 C ATOM 0 H LEU A 73 20.839 -23.488 -7.770 1.00 10.51 H new ATOM 0 HA LEU A 73 21.301 -25.327 -6.613 1.00 15.12 H new ATOM 0 HB2 LEU A 73 21.434 -23.514 -4.180 1.00 34.40 H new ATOM 0 HB3 LEU A 73 22.136 -25.113 -4.323 1.00 34.40 H new ATOM 0 HG LEU A 73 22.980 -22.839 -6.123 1.00 12.55 H new ATOM 0 HD11 LEU A 73 24.865 -22.462 -4.581 1.00 14.04 H new ATOM 0 HD12 LEU A 73 23.300 -22.109 -3.810 1.00 14.04 H new ATOM 0 HD13 LEU A 73 24.154 -23.625 -3.436 1.00 14.04 H new ATOM 0 HD21 LEU A 73 25.031 -24.188 -6.334 1.00 61.24 H new ATOM 0 HD22 LEU A 73 24.328 -25.418 -5.258 1.00 61.24 H new ATOM 0 HD23 LEU A 73 23.589 -25.096 -6.845 1.00 61.24 H new ATOM 1174 N ARG A 74 18.510 -25.049 -6.074 1.00 2.51 N ATOM 1175 CA ARG A 74 17.228 -25.537 -5.581 1.00 50.01 C ATOM 1176 C ARG A 74 16.883 -24.900 -4.238 1.00 24.31 C ATOM 1177 O ARG A 74 16.627 -25.597 -3.257 1.00 0.22 O ATOM 1178 CB ARG A 74 17.257 -27.060 -5.443 1.00 63.20 C ATOM 1179 CG ARG A 74 15.903 -27.717 -5.653 1.00 71.13 C ATOM 1180 CD ARG A 74 15.131 -27.832 -4.348 1.00 53.32 C ATOM 1181 NE ARG A 74 14.212 -28.967 -4.354 1.00 11.12 N ATOM 1182 CZ ARG A 74 14.607 -30.233 -4.275 1.00 40.43 C ATOM 1183 NH1 ARG A 74 15.897 -30.523 -4.185 1.00 65.31 N ATOM 1184 NH2 ARG A 74 13.710 -31.211 -4.286 1.00 45.22 N ATOM 0 H ARG A 74 18.483 -24.675 -7.022 1.00 2.51 H new ATOM 0 HA ARG A 74 16.460 -25.259 -6.303 1.00 50.01 H new ATOM 0 HB2 ARG A 74 17.965 -27.468 -6.164 1.00 63.20 H new ATOM 0 HB3 ARG A 74 17.627 -27.319 -4.451 1.00 63.20 H new ATOM 0 HG2 ARG A 74 15.323 -27.136 -6.370 1.00 71.13 H new ATOM 0 HG3 ARG A 74 16.041 -28.709 -6.084 1.00 71.13 H new ATOM 0 HD2 ARG A 74 15.832 -27.938 -3.520 1.00 53.32 H new ATOM 0 HD3 ARG A 74 14.571 -26.913 -4.176 1.00 53.32 H new ATOM 0 HE ARG A 74 13.212 -28.777 -4.423 1.00 11.12 H new ATOM 0 HH11 ARG A 74 16.589 -29.774 -4.176 1.00 65.31 H new ATOM 0 HH12 ARG A 74 16.198 -31.496 -4.124 1.00 65.31 H new ATOM 0 HH21 ARG A 74 12.716 -30.991 -4.355 1.00 45.22 H new ATOM 0 HH22 ARG A 74 14.014 -32.183 -4.225 1.00 45.22 H new ATOM 1198 N GLY A 75 16.880 -23.571 -4.202 1.00 62.11 N ATOM 1199 CA GLY A 75 16.567 -22.863 -2.975 1.00 12.21 C ATOM 1200 C GLY A 75 15.200 -23.226 -2.429 1.00 2.03 C ATOM 1201 O GLY A 75 14.992 -23.238 -1.216 1.00 73.23 O ATOM 0 H GLY A 75 17.089 -22.972 -5.001 1.00 62.11 H new ATOM 0 HA2 GLY A 75 17.326 -23.088 -2.226 1.00 12.21 H new ATOM 0 HA3 GLY A 75 16.608 -21.789 -3.158 1.00 12.21 H new ATOM 1205 N GLY A 76 14.265 -23.521 -3.327 1.00 30.55 N ATOM 1206 CA GLY A 76 12.922 -23.881 -2.908 1.00 45.45 C ATOM 1207 C GLY A 76 12.742 -25.379 -2.762 1.00 2.54 C ATOM 1208 O GLY A 76 12.027 -25.840 -1.872 1.00 64.12 O ATOM 0 H GLY A 76 14.413 -23.517 -4.336 1.00 30.55 H new ATOM 0 HA2 GLY A 76 12.700 -23.397 -1.957 1.00 45.45 H new ATOM 0 HA3 GLY A 76 12.204 -23.501 -3.635 1.00 45.45 H new TER 1212 GLY A 76