USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 ASN : amide:sc= 0.323 K(o=0.66,f=-7.2!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -165:sc= 0.335 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot -73:sc= 0.402 USER MOD Set 2.2: A 9 THR OG1 : rot -2:sc= 0.375 USER MOD Single : A 1 MET CE :methyl -155:sc= -0.0489 (180deg=-0.5) USER MOD Single : A 1 MET N :NH3+ 179:sc= 2.39 (180deg=2.38) USER MOD Single : A 2 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.077) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 177:sc= 0.836 (180deg=0.806) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= 2.16 (180deg=2.03) USER MOD Single : A 31 GLN : amide:sc= -0.383 K(o=-0.38,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0845 K(o=-0.085,f=-1.1) USER MOD Single : A 41 GLN : amide:sc= -0.441 K(o=-0.44,f=-5.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0596 X(o=-0.06,f=-0.44) USER MOD Single : A 55 THR OG1 : rot -67:sc= 0.802 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 100:sc= 0.2 USER MOD Single : A 60 ASN : amide:sc= -0.0173 X(o=-0.017,f=-0.18) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.0088) USER MOD Single : A 63 LYS NZ :NH3+ 150:sc= 1.34 (180deg=0.97) USER MOD Single : A 65 SER OG : rot -112:sc= 1.13 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.41 K(o=0.41,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.361 -4.163 -3.668 1.00 0.78 N ATOM 2 CA MET A 1 13.028 -4.617 -2.299 1.00 0.70 C ATOM 3 C MET A 1 11.603 -5.017 -2.120 1.00 0.62 C ATOM 4 O MET A 1 10.662 -4.577 -2.778 1.00 0.68 O ATOM 5 CB MET A 1 13.377 -3.449 -1.361 1.00 0.75 C ATOM 6 CG MET A 1 12.461 -2.225 -1.411 1.00 0.79 C ATOM 7 SD MET A 1 12.829 -1.085 -0.043 1.00 1.10 S ATOM 8 CE MET A 1 11.075 -0.673 0.193 1.00 0.84 C ATOM 0 H1 MET A 1 14.363 -3.887 -3.708 1.00 0.78 H new ATOM 0 H2 MET A 1 13.188 -4.936 -4.342 1.00 0.78 H new ATOM 0 H3 MET A 1 12.767 -3.347 -3.917 1.00 0.78 H new ATOM 0 HA MET A 1 13.598 -5.519 -2.078 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.385 -3.826 -0.338 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.392 -3.123 -1.588 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.587 -1.710 -2.363 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.420 -2.542 -1.356 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.991 0.312 0.653 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.570 -0.666 -0.773 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.610 -1.417 0.840 1.00 0.84 H new ATOM 20 N GLN A 2 11.422 -6.125 -1.379 1.00 0.59 N ATOM 21 CA GLN A 2 10.202 -6.791 -1.045 1.00 0.56 C ATOM 22 C GLN A 2 9.498 -5.973 -0.019 1.00 0.50 C ATOM 23 O GLN A 2 10.068 -5.627 1.015 1.00 0.60 O ATOM 24 CB GLN A 2 10.367 -8.221 -0.501 1.00 0.71 C ATOM 25 CG GLN A 2 9.086 -9.021 -0.254 1.00 1.15 C ATOM 26 CD GLN A 2 9.550 -10.460 -0.094 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.495 -11.107 0.952 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.990 -11.091 -1.215 1.00 1.72 N ATOM 0 H GLN A 2 12.223 -6.605 -0.970 1.00 0.59 H new ATOM 0 HA GLN A 2 9.641 -6.890 -1.975 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.987 -8.781 -1.202 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.918 -8.165 0.438 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.567 -8.671 0.639 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.390 -8.920 -1.087 1.00 1.15 H new ATOM 0 HE21 GLN A 2 10.047 -10.582 -2.097 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.263 -12.073 -1.174 1.00 1.72 H new ATOM 37 N ILE A 3 8.192 -5.758 -0.263 1.00 0.44 N ATOM 38 CA ILE A 3 7.258 -5.153 0.635 1.00 0.42 C ATOM 39 C ILE A 3 5.980 -5.920 0.613 1.00 0.40 C ATOM 40 O ILE A 3 5.574 -6.499 -0.393 1.00 0.50 O ATOM 41 CB ILE A 3 6.940 -3.697 0.471 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.229 -3.372 -0.854 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.313 -3.039 0.686 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.420 -2.081 -0.726 1.00 0.72 C ATOM 0 H ILE A 3 7.761 -6.026 -1.148 1.00 0.44 H new ATOM 0 HA ILE A 3 7.785 -5.195 1.588 1.00 0.42 H new ATOM 0 HB ILE A 3 6.201 -3.315 1.175 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.964 -3.270 -1.652 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.570 -4.195 -1.131 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.217 -1.957 0.591 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.682 -3.284 1.682 1.00 0.61 H new ATOM 0 HG23 ILE A 3 9.015 -3.408 -0.062 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.924 -1.867 -1.673 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.671 -2.197 0.058 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.087 -1.257 -0.472 1.00 0.72 H new ATOM 56 N PHE A 4 5.212 -5.904 1.718 1.00 0.37 N ATOM 57 CA PHE A 4 3.941 -6.552 1.798 1.00 0.38 C ATOM 58 C PHE A 4 2.771 -5.659 2.031 1.00 0.39 C ATOM 59 O PHE A 4 2.875 -4.645 2.720 1.00 0.60 O ATOM 60 CB PHE A 4 3.924 -7.461 3.039 1.00 0.45 C ATOM 61 CG PHE A 4 5.161 -8.287 3.125 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.335 -9.294 2.205 1.00 1.16 C ATOM 63 CD2 PHE A 4 6.076 -8.060 4.126 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.523 -9.986 2.178 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.249 -8.775 4.070 1.00 1.40 C ATOM 66 CZ PHE A 4 7.475 -9.768 3.145 1.00 0.85 C ATOM 0 H PHE A 4 5.483 -5.427 2.578 1.00 0.37 H new ATOM 0 HA PHE A 4 3.841 -7.045 0.831 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.829 -6.851 3.937 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.051 -8.113 3.002 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.546 -9.539 1.510 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.882 -7.353 4.919 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.709 -10.704 1.393 1.00 1.23 H new ATOM 0 HE2 PHE A 4 8.027 -8.547 4.783 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.377 -10.361 3.178 1.00 0.85 H new ATOM 76 N VAL A 5 1.598 -6.034 1.490 1.00 0.35 N ATOM 77 CA VAL A 5 0.403 -5.260 1.623 1.00 0.35 C ATOM 78 C VAL A 5 -0.595 -6.203 2.200 1.00 0.35 C ATOM 79 O VAL A 5 -1.168 -7.020 1.480 1.00 0.46 O ATOM 80 CB VAL A 5 -0.054 -4.564 0.375 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.269 -3.686 0.725 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.032 -3.576 -0.085 1.00 0.56 C ATOM 0 H VAL A 5 1.477 -6.891 0.950 1.00 0.35 H new ATOM 0 HA VAL A 5 0.571 -4.401 2.273 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.275 -5.313 -0.385 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.616 -3.171 -0.171 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.070 -4.313 1.117 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.982 -2.951 1.478 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.702 -3.069 -0.992 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.209 -2.839 0.699 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.955 -4.119 -0.288 1.00 0.56 H new ATOM 92 N LYS A 6 -0.973 -6.069 3.484 1.00 0.36 N ATOM 93 CA LYS A 6 -1.965 -6.871 4.130 1.00 0.39 C ATOM 94 C LYS A 6 -3.310 -6.242 4.010 1.00 0.46 C ATOM 95 O LYS A 6 -3.511 -5.064 4.306 1.00 0.53 O ATOM 96 CB LYS A 6 -1.581 -7.081 5.605 1.00 0.54 C ATOM 97 CG LYS A 6 -2.173 -8.300 6.316 1.00 1.22 C ATOM 98 CD LYS A 6 -2.175 -8.198 7.843 1.00 1.37 C ATOM 99 CE LYS A 6 -2.516 -9.474 8.615 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.452 -10.496 8.500 1.00 2.09 N ATOM 0 H LYS A 6 -0.566 -5.366 4.102 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.011 -7.844 3.640 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.495 -7.150 5.665 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.875 -6.190 6.160 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -3.197 -8.445 5.972 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -1.610 -9.186 6.023 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.190 -7.860 8.163 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.887 -7.425 8.132 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -2.672 -9.230 9.666 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -3.454 -9.884 8.240 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -1.725 -11.343 9.038 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.320 -10.749 7.500 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.562 -10.115 8.881 1.00 2.09 H new ATOM 114 N THR A 7 -4.295 -7.069 3.620 1.00 0.58 N ATOM 115 CA THR A 7 -5.654 -6.681 3.399 1.00 0.78 C ATOM 116 C THR A 7 -6.577 -6.701 4.569 1.00 0.94 C ATOM 117 O THR A 7 -6.292 -7.178 5.666 1.00 0.99 O ATOM 118 CB THR A 7 -6.315 -7.418 2.272 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.623 -8.780 2.529 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.526 -7.310 0.956 1.00 0.92 C ATOM 0 H THR A 7 -4.135 -8.062 3.450 1.00 0.58 H new ATOM 0 HA THR A 7 -5.505 -5.632 3.144 1.00 0.78 H new ATOM 0 HB THR A 7 -7.270 -6.902 2.172 1.00 0.90 H new ATOM 0 HG1 THR A 7 -5.798 -9.309 2.521 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.047 -7.861 0.173 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.441 -6.262 0.668 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.530 -7.731 1.093 1.00 0.92 H new ATOM 128 N LEU A 8 -7.838 -6.266 4.398 1.00 1.17 N ATOM 129 CA LEU A 8 -8.911 -6.464 5.323 1.00 1.39 C ATOM 130 C LEU A 8 -9.346 -7.844 5.672 1.00 1.44 C ATOM 131 O LEU A 8 -9.888 -8.095 6.748 1.00 1.60 O ATOM 132 CB LEU A 8 -10.141 -5.689 4.820 1.00 1.66 C ATOM 133 CG LEU A 8 -9.911 -4.175 4.676 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.168 -3.460 4.153 1.00 2.53 C ATOM 135 CD2 LEU A 8 -9.407 -3.592 6.006 1.00 2.43 C ATOM 0 H LEU A 8 -8.125 -5.747 3.568 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.479 -6.104 6.257 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.442 -6.094 3.854 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.969 -5.856 5.508 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.137 -4.005 3.927 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.969 -2.392 4.064 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -11.435 -3.862 3.176 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.992 -3.618 4.848 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.247 -2.520 5.896 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.148 -3.770 6.785 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -8.468 -4.073 6.282 1.00 2.43 H new ATOM 147 N THR A 9 -9.156 -8.737 4.684 1.00 1.41 N ATOM 148 CA THR A 9 -9.633 -10.074 4.864 1.00 1.51 C ATOM 149 C THR A 9 -8.592 -10.816 5.629 1.00 1.37 C ATOM 150 O THR A 9 -8.700 -10.899 6.851 1.00 1.62 O ATOM 151 CB THR A 9 -9.824 -10.865 3.605 1.00 1.65 C ATOM 152 OG1 THR A 9 -8.783 -10.681 2.657 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.022 -10.241 2.868 1.00 2.08 C ATOM 0 H THR A 9 -8.692 -8.547 3.796 1.00 1.41 H new ATOM 0 HA THR A 9 -10.604 -9.976 5.349 1.00 1.51 H new ATOM 0 HB THR A 9 -9.905 -11.909 3.906 1.00 1.65 H new ATOM 0 HG1 THR A 9 -8.139 -10.027 3.001 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.202 -10.785 1.940 1.00 2.08 H new ATOM 0 HG22 THR A 9 -11.908 -10.299 3.500 1.00 2.08 H new ATOM 0 HG23 THR A 9 -10.806 -9.197 2.641 1.00 2.08 H new ATOM 161 N GLY A 10 -7.565 -11.439 5.023 1.00 1.18 N ATOM 162 CA GLY A 10 -6.499 -12.149 5.659 1.00 1.22 C ATOM 163 C GLY A 10 -5.579 -12.644 4.597 1.00 0.99 C ATOM 164 O GLY A 10 -5.141 -13.793 4.632 1.00 1.31 O ATOM 0 H GLY A 10 -7.475 -11.446 4.007 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.966 -11.497 6.351 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.891 -12.982 6.243 1.00 1.22 H new ATOM 168 N LYS A 11 -5.186 -11.759 3.664 1.00 0.73 N ATOM 169 CA LYS A 11 -4.373 -12.009 2.514 1.00 0.60 C ATOM 170 C LYS A 11 -3.263 -11.015 2.526 1.00 0.51 C ATOM 171 O LYS A 11 -3.470 -9.855 2.879 1.00 0.63 O ATOM 172 CB LYS A 11 -5.238 -11.927 1.245 1.00 0.75 C ATOM 173 CG LYS A 11 -4.534 -12.443 -0.011 1.00 0.87 C ATOM 174 CD LYS A 11 -5.371 -12.538 -1.289 1.00 1.04 C ATOM 175 CE LYS A 11 -6.022 -11.223 -1.721 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.840 -11.400 -2.942 1.00 1.40 N ATOM 0 H LYS A 11 -5.464 -10.779 3.722 1.00 0.73 H new ATOM 0 HA LYS A 11 -3.942 -13.010 2.529 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.152 -12.501 1.401 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.536 -10.891 1.085 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.682 -11.794 -0.212 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.136 -13.434 0.207 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.735 -12.897 -2.098 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.152 -13.284 -1.142 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -6.648 -10.843 -0.914 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -5.250 -10.476 -1.904 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -7.308 -10.502 -3.179 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.228 -11.691 -3.731 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -7.560 -12.132 -2.775 1.00 1.40 H new ATOM 190 N THR A 12 -2.010 -11.430 2.266 1.00 0.49 N ATOM 191 CA THR A 12 -0.847 -10.599 2.300 1.00 0.48 C ATOM 192 C THR A 12 -0.292 -10.619 0.918 1.00 0.52 C ATOM 193 O THR A 12 0.159 -11.614 0.355 1.00 0.72 O ATOM 194 CB THR A 12 0.147 -11.196 3.253 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.451 -11.241 4.539 1.00 0.77 O ATOM 196 CG2 THR A 12 1.475 -10.436 3.416 1.00 0.78 C ATOM 0 H THR A 12 -1.798 -12.397 2.019 1.00 0.49 H new ATOM 0 HA THR A 12 -1.074 -9.583 2.624 1.00 0.48 H new ATOM 0 HB THR A 12 0.396 -12.168 2.827 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.180 -11.630 5.180 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.110 -10.962 4.128 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.981 -10.377 2.452 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.275 -9.429 3.783 1.00 0.78 H new ATOM 204 N ILE A 13 -0.205 -9.444 0.268 1.00 0.48 N ATOM 205 CA ILE A 13 0.158 -9.351 -1.113 1.00 0.55 C ATOM 206 C ILE A 13 1.637 -9.175 -1.069 1.00 0.51 C ATOM 207 O ILE A 13 2.105 -8.182 -0.515 1.00 0.56 O ATOM 208 CB ILE A 13 -0.527 -8.278 -1.908 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.039 -8.287 -1.620 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.239 -8.550 -3.394 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.840 -7.228 -2.375 1.00 1.55 C ATOM 0 H ILE A 13 -0.390 -8.543 0.709 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.169 -10.240 -1.651 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.155 -7.291 -1.634 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.437 -9.270 -1.870 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.192 -8.144 -0.550 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.723 -7.787 -4.004 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.837 -8.524 -3.567 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.627 -9.532 -3.666 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.894 -7.311 -2.109 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.475 -6.236 -2.107 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.724 -7.380 -3.448 1.00 1.55 H new ATOM 223 N THR A 14 2.512 -10.083 -1.537 1.00 0.55 N ATOM 224 CA THR A 14 3.926 -9.876 -1.562 1.00 0.54 C ATOM 225 C THR A 14 4.294 -9.167 -2.819 1.00 0.55 C ATOM 226 O THR A 14 4.122 -9.746 -3.890 1.00 0.72 O ATOM 227 CB THR A 14 4.666 -11.180 -1.508 1.00 0.67 C ATOM 228 OG1 THR A 14 4.352 -11.780 -0.260 1.00 1.08 O ATOM 229 CG2 THR A 14 6.164 -10.833 -1.465 1.00 1.03 C ATOM 0 H THR A 14 2.227 -10.989 -1.909 1.00 0.55 H new ATOM 0 HA THR A 14 4.201 -9.283 -0.690 1.00 0.54 H new ATOM 0 HB THR A 14 4.416 -11.828 -2.348 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.817 -12.640 -0.184 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.749 -11.752 -1.425 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.433 -10.270 -2.359 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.373 -10.231 -0.581 1.00 1.03 H new ATOM 237 N LEU A 15 4.769 -7.914 -2.702 1.00 0.50 N ATOM 238 CA LEU A 15 5.141 -7.149 -3.852 1.00 0.55 C ATOM 239 C LEU A 15 6.601 -6.884 -3.985 1.00 0.52 C ATOM 240 O LEU A 15 7.402 -7.149 -3.090 1.00 0.58 O ATOM 241 CB LEU A 15 4.469 -5.767 -3.778 1.00 0.69 C ATOM 242 CG LEU A 15 2.943 -5.712 -3.598 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.527 -4.274 -3.244 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.281 -6.149 -4.916 1.00 1.55 C ATOM 0 H LEU A 15 4.895 -7.431 -1.813 1.00 0.50 H new ATOM 0 HA LEU A 15 4.825 -7.753 -4.703 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.922 -5.220 -2.951 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.717 -5.227 -4.692 1.00 0.69 H new ATOM 0 HG LEU A 15 2.628 -6.377 -2.794 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.446 -4.229 -3.115 1.00 1.38 H new ATOM 0 HD12 LEU A 15 3.016 -3.971 -2.318 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.825 -3.601 -4.048 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.197 -6.116 -4.807 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.586 -5.476 -5.717 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.591 -7.165 -5.159 1.00 1.55 H new ATOM 256 N GLU A 16 7.096 -6.332 -5.106 1.00 0.59 N ATOM 257 CA GLU A 16 8.425 -5.826 -5.256 1.00 0.63 C ATOM 258 C GLU A 16 8.528 -4.415 -5.725 1.00 0.65 C ATOM 259 O GLU A 16 7.968 -4.043 -6.755 1.00 0.81 O ATOM 260 CB GLU A 16 9.127 -6.835 -6.180 1.00 0.76 C ATOM 261 CG GLU A 16 10.527 -6.449 -6.663 1.00 1.41 C ATOM 262 CD GLU A 16 11.651 -6.738 -5.678 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.555 -7.821 -5.042 1.00 1.92 O ATOM 264 OE2 GLU A 16 12.654 -5.978 -5.711 1.00 1.95 O ATOM 0 H GLU A 16 6.538 -6.233 -5.954 1.00 0.59 H new ATOM 0 HA GLU A 16 8.910 -5.750 -4.283 1.00 0.63 H new ATOM 0 HB2 GLU A 16 9.196 -7.788 -5.656 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.496 -6.996 -7.054 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.733 -6.980 -7.592 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.534 -5.384 -6.896 1.00 1.41 H new ATOM 271 N VAL A 17 9.176 -3.509 -4.972 1.00 0.61 N ATOM 272 CA VAL A 17 9.282 -2.151 -5.408 1.00 0.63 C ATOM 273 C VAL A 17 10.717 -1.769 -5.293 1.00 0.65 C ATOM 274 O VAL A 17 11.501 -2.483 -4.670 1.00 0.76 O ATOM 275 CB VAL A 17 8.569 -1.172 -4.522 1.00 0.70 C ATOM 276 CG1 VAL A 17 7.075 -1.316 -4.862 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.771 -1.544 -3.044 1.00 0.92 C ATOM 0 H VAL A 17 9.620 -3.711 -4.076 1.00 0.61 H new ATOM 0 HA VAL A 17 8.855 -2.109 -6.410 1.00 0.63 H new ATOM 0 HB VAL A 17 8.942 -0.160 -4.676 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.494 -0.627 -4.249 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.918 -1.085 -5.916 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.753 -2.338 -4.663 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.248 -0.825 -2.413 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.373 -2.543 -2.863 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.835 -1.528 -2.807 1.00 0.92 H new ATOM 287 N GLU A 18 11.138 -0.564 -5.718 1.00 0.68 N ATOM 288 CA GLU A 18 12.370 0.015 -5.278 1.00 0.74 C ATOM 289 C GLU A 18 12.257 1.109 -4.274 1.00 0.71 C ATOM 290 O GLU A 18 11.185 1.706 -4.199 1.00 0.74 O ATOM 291 CB GLU A 18 13.254 0.427 -6.467 1.00 0.88 C ATOM 292 CG GLU A 18 12.759 1.733 -7.092 1.00 1.16 C ATOM 293 CD GLU A 18 13.503 2.055 -8.380 1.00 1.71 C ATOM 294 OE1 GLU A 18 14.721 2.369 -8.296 1.00 2.33 O ATOM 295 OE2 GLU A 18 12.847 2.191 -9.447 1.00 2.35 O ATOM 0 H GLU A 18 10.617 0.016 -6.375 1.00 0.68 H new ATOM 0 HA GLU A 18 12.858 -0.791 -4.730 1.00 0.74 H new ATOM 0 HB2 GLU A 18 14.285 0.547 -6.134 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.252 -0.363 -7.218 1.00 0.88 H new ATOM 0 HG2 GLU A 18 11.691 1.657 -7.297 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.890 2.549 -6.382 1.00 1.16 H new ATOM 302 N PRO A 19 13.142 1.536 -3.422 1.00 0.74 N ATOM 303 CA PRO A 19 12.854 2.548 -2.448 1.00 0.74 C ATOM 304 C PRO A 19 12.527 3.883 -3.024 1.00 0.70 C ATOM 305 O PRO A 19 12.021 4.698 -2.254 1.00 0.74 O ATOM 306 CB PRO A 19 14.180 2.693 -1.704 1.00 0.86 C ATOM 307 CG PRO A 19 14.980 1.395 -1.896 1.00 0.95 C ATOM 308 CD PRO A 19 14.457 0.932 -3.265 1.00 0.82 C ATOM 0 HA PRO A 19 11.986 2.257 -1.857 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.740 3.546 -2.088 1.00 0.86 H new ATOM 0 HB3 PRO A 19 14.004 2.878 -0.644 1.00 0.86 H new ATOM 0 HG2 PRO A 19 16.056 1.570 -1.903 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.780 0.667 -1.110 1.00 0.95 H new ATOM 0 HD2 PRO A 19 15.128 1.246 -4.065 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.394 -0.155 -3.310 1.00 0.82 H new ATOM 316 N SER A 20 12.669 4.186 -4.326 1.00 0.70 N ATOM 317 CA SER A 20 12.222 5.383 -4.965 1.00 0.74 C ATOM 318 C SER A 20 10.884 5.354 -5.621 1.00 0.71 C ATOM 319 O SER A 20 10.443 6.330 -6.227 1.00 0.80 O ATOM 320 CB SER A 20 13.265 6.032 -5.892 1.00 0.89 C ATOM 321 OG SER A 20 14.534 6.228 -5.285 1.00 1.45 O ATOM 0 H SER A 20 13.129 3.549 -4.977 1.00 0.70 H new ATOM 0 HA SER A 20 12.086 6.022 -4.092 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.389 5.407 -6.776 1.00 0.89 H new ATOM 0 HB3 SER A 20 12.884 6.995 -6.233 1.00 0.89 H new ATOM 0 HG SER A 20 15.145 6.641 -5.930 1.00 1.45 H new ATOM 327 N ASP A 21 10.070 4.310 -5.388 1.00 0.70 N ATOM 328 CA ASP A 21 8.741 4.194 -5.902 1.00 0.73 C ATOM 329 C ASP A 21 7.699 4.940 -5.142 1.00 0.64 C ATOM 330 O ASP A 21 7.781 5.061 -3.920 1.00 0.66 O ATOM 331 CB ASP A 21 8.308 2.718 -5.934 1.00 0.87 C ATOM 332 CG ASP A 21 8.747 2.184 -7.290 1.00 1.05 C ATOM 333 OD1 ASP A 21 8.633 2.884 -8.331 1.00 1.50 O ATOM 334 OD2 ASP A 21 9.134 0.985 -7.330 1.00 1.69 O ATOM 0 H ASP A 21 10.350 3.512 -4.817 1.00 0.70 H new ATOM 0 HA ASP A 21 8.801 4.636 -6.896 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.773 2.157 -5.124 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.229 2.625 -5.808 1.00 0.87 H new ATOM 339 N THR A 22 6.765 5.591 -5.859 1.00 0.63 N ATOM 340 CA THR A 22 5.679 6.256 -5.210 1.00 0.58 C ATOM 341 C THR A 22 4.612 5.344 -4.709 1.00 0.53 C ATOM 342 O THR A 22 4.404 4.252 -5.235 1.00 0.58 O ATOM 343 CB THR A 22 5.106 7.359 -6.050 1.00 0.63 C ATOM 344 OG1 THR A 22 4.886 6.869 -7.365 1.00 0.70 O ATOM 345 CG2 THR A 22 6.145 8.469 -6.277 1.00 0.75 C ATOM 0 H THR A 22 6.761 5.657 -6.877 1.00 0.63 H new ATOM 0 HA THR A 22 6.122 6.704 -4.321 1.00 0.58 H new ATOM 0 HB THR A 22 4.210 7.714 -5.541 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.510 7.583 -7.921 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.707 9.258 -6.889 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.451 8.883 -5.316 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.014 8.055 -6.787 1.00 0.75 H new ATOM 353 N ILE A 23 3.830 5.867 -3.747 1.00 0.51 N ATOM 354 CA ILE A 23 2.718 5.246 -3.097 1.00 0.48 C ATOM 355 C ILE A 23 1.629 5.098 -4.102 1.00 0.48 C ATOM 356 O ILE A 23 1.006 4.038 -4.120 1.00 0.51 O ATOM 357 CB ILE A 23 2.259 6.081 -1.939 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.423 6.235 -0.946 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.991 5.627 -1.196 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.018 4.961 -0.346 1.00 0.73 C ATOM 0 H ILE A 23 3.993 6.810 -3.394 1.00 0.51 H new ATOM 0 HA ILE A 23 3.002 4.269 -2.706 1.00 0.48 H new ATOM 0 HB ILE A 23 1.958 7.028 -2.388 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.225 6.775 -1.450 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.082 6.865 -0.125 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.777 6.322 -0.384 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.150 5.608 -1.889 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.146 4.628 -0.788 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.828 5.223 0.334 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.245 4.421 0.201 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.406 4.329 -1.145 1.00 0.73 H new ATOM 372 N GLU A 24 1.481 6.087 -5.003 1.00 0.50 N ATOM 373 CA GLU A 24 0.689 5.890 -6.176 1.00 0.53 C ATOM 374 C GLU A 24 1.128 4.784 -7.073 1.00 0.50 C ATOM 375 O GLU A 24 0.313 4.109 -7.699 1.00 0.55 O ATOM 376 CB GLU A 24 0.635 7.225 -6.936 1.00 0.64 C ATOM 377 CG GLU A 24 -0.209 7.119 -8.209 1.00 0.95 C ATOM 378 CD GLU A 24 -0.561 8.495 -8.756 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.274 9.423 -8.587 1.00 1.62 O ATOM 380 OE2 GLU A 24 -1.705 8.753 -9.219 1.00 1.56 O ATOM 0 H GLU A 24 1.904 7.011 -4.921 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.298 5.570 -5.842 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.220 7.996 -6.287 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.647 7.537 -7.195 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.338 6.554 -8.964 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.123 6.565 -7.996 1.00 0.95 H new ATOM 387 N ASN A 25 2.427 4.468 -7.221 1.00 0.51 N ATOM 388 CA ASN A 25 2.893 3.309 -7.918 1.00 0.52 C ATOM 389 C ASN A 25 2.661 1.965 -7.318 1.00 0.47 C ATOM 390 O ASN A 25 2.286 1.028 -8.020 1.00 0.53 O ATOM 391 CB ASN A 25 4.352 3.600 -8.310 1.00 0.64 C ATOM 392 CG ASN A 25 4.839 2.511 -9.256 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.330 1.455 -8.864 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.535 2.717 -10.566 1.00 1.57 N ATOM 0 H ASN A 25 3.181 5.041 -6.841 1.00 0.51 H new ATOM 0 HA ASN A 25 2.252 3.175 -8.790 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.425 4.576 -8.790 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.981 3.635 -7.420 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.714 1.984 -11.252 1.00 1.57 H new ATOM 0 HD22 ASN A 25 4.128 3.604 -10.862 1.00 1.57 H new ATOM 401 N VAL A 26 2.787 1.801 -5.989 1.00 0.45 N ATOM 402 CA VAL A 26 2.340 0.649 -5.269 1.00 0.44 C ATOM 403 C VAL A 26 0.915 0.303 -5.535 1.00 0.40 C ATOM 404 O VAL A 26 0.464 -0.823 -5.738 1.00 0.44 O ATOM 405 CB VAL A 26 2.592 0.742 -3.792 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.175 -0.495 -2.981 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.028 1.161 -3.434 1.00 0.62 C ATOM 0 H VAL A 26 3.220 2.503 -5.389 1.00 0.45 H new ATOM 0 HA VAL A 26 2.951 -0.166 -5.657 1.00 0.44 H new ATOM 0 HB VAL A 26 1.922 1.547 -3.489 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.397 -0.331 -1.927 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.106 -0.667 -3.104 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.726 -1.366 -3.336 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.134 1.207 -2.350 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.731 0.432 -3.837 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.238 2.142 -3.861 1.00 0.62 H new ATOM 417 N LYS A 27 0.042 1.321 -5.638 1.00 0.40 N ATOM 418 CA LYS A 27 -1.371 1.204 -5.824 1.00 0.41 C ATOM 419 C LYS A 27 -1.723 0.554 -7.118 1.00 0.38 C ATOM 420 O LYS A 27 -2.683 -0.198 -7.276 1.00 0.42 O ATOM 421 CB LYS A 27 -2.031 2.577 -5.616 1.00 0.51 C ATOM 422 CG LYS A 27 -2.014 3.047 -4.160 1.00 0.76 C ATOM 423 CD LYS A 27 -2.608 4.435 -3.917 1.00 0.82 C ATOM 424 CE LYS A 27 -2.901 4.689 -2.436 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.966 5.717 -2.473 1.00 1.11 N ATOM 0 H LYS A 27 0.346 2.293 -5.588 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.775 0.530 -5.069 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.519 3.315 -6.234 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.063 2.532 -5.963 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.561 2.324 -3.555 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -0.983 3.043 -3.806 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -1.916 5.193 -4.284 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.529 4.539 -4.491 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.234 3.783 -1.930 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.017 5.044 -1.906 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.528 5.666 -1.599 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.535 6.660 -2.554 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.584 5.547 -3.292 1.00 1.11 H new ATOM 439 N ALA A 28 -0.924 0.890 -8.147 1.00 0.39 N ATOM 440 CA ALA A 28 -0.945 0.388 -9.485 1.00 0.39 C ATOM 441 C ALA A 28 -0.499 -1.031 -9.572 1.00 0.36 C ATOM 442 O ALA A 28 -0.793 -1.792 -10.492 1.00 0.42 O ATOM 443 CB ALA A 28 -0.076 1.193 -10.466 1.00 0.51 C ATOM 0 H ALA A 28 -0.188 1.586 -8.025 1.00 0.39 H new ATOM 0 HA ALA A 28 -1.993 0.481 -9.771 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.144 0.751 -11.460 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.428 2.224 -10.503 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.961 1.176 -10.132 1.00 0.51 H new ATOM 449 N LYS A 29 0.214 -1.535 -8.548 1.00 0.39 N ATOM 450 CA LYS A 29 0.608 -2.908 -8.494 1.00 0.43 C ATOM 451 C LYS A 29 -0.486 -3.739 -7.918 1.00 0.44 C ATOM 452 O LYS A 29 -0.646 -4.862 -8.393 1.00 0.54 O ATOM 453 CB LYS A 29 1.844 -3.070 -7.593 1.00 0.54 C ATOM 454 CG LYS A 29 3.149 -2.381 -7.994 1.00 0.65 C ATOM 455 CD LYS A 29 3.634 -3.010 -9.302 1.00 1.08 C ATOM 456 CE LYS A 29 4.990 -2.540 -9.834 1.00 1.24 C ATOM 457 NZ LYS A 29 5.019 -1.084 -10.095 1.00 1.44 N ATOM 0 H LYS A 29 0.521 -0.982 -7.748 1.00 0.39 H new ATOM 0 HA LYS A 29 0.832 -3.231 -9.510 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.575 -2.713 -6.599 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.049 -4.137 -7.504 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.991 -1.310 -8.122 1.00 0.65 H new ATOM 0 HG3 LYS A 29 3.899 -2.501 -7.212 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.680 -4.090 -9.163 1.00 1.08 H new ATOM 0 HD3 LYS A 29 2.884 -2.819 -10.069 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.768 -2.793 -9.113 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.222 -3.076 -10.754 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 5.846 -0.853 -10.681 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 4.151 -0.804 -10.595 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.080 -0.571 -9.193 1.00 1.44 H new ATOM 471 N ILE A 30 -1.300 -3.171 -7.009 1.00 0.41 N ATOM 472 CA ILE A 30 -2.489 -3.757 -6.474 1.00 0.44 C ATOM 473 C ILE A 30 -3.564 -3.726 -7.503 1.00 0.45 C ATOM 474 O ILE A 30 -4.359 -4.646 -7.691 1.00 0.56 O ATOM 475 CB ILE A 30 -2.797 -3.170 -5.128 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.638 -3.477 -4.164 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.140 -3.721 -4.617 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.613 -2.496 -2.994 1.00 1.32 C ATOM 0 H ILE A 30 -1.115 -2.245 -6.625 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.365 -4.818 -6.257 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.895 -2.087 -5.198 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.737 -4.494 -3.786 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.692 -3.428 -4.703 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.361 -3.293 -3.639 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.932 -3.455 -5.317 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -4.080 -4.806 -4.533 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.782 -2.741 -2.332 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.489 -1.481 -3.372 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.550 -2.565 -2.441 1.00 1.32 H new ATOM 490 N GLN A 31 -3.648 -2.678 -8.342 1.00 0.41 N ATOM 491 CA GLN A 31 -4.606 -2.457 -9.380 1.00 0.48 C ATOM 492 C GLN A 31 -4.623 -3.586 -10.354 1.00 0.52 C ATOM 493 O GLN A 31 -5.683 -4.156 -10.604 1.00 0.66 O ATOM 494 CB GLN A 31 -4.353 -1.136 -10.126 1.00 0.52 C ATOM 495 CG GLN A 31 -5.477 -0.761 -11.093 1.00 0.70 C ATOM 496 CD GLN A 31 -5.258 0.617 -11.700 1.00 0.97 C ATOM 497 OE1 GLN A 31 -6.123 1.486 -11.610 1.00 1.70 O ATOM 498 NE2 GLN A 31 -4.107 0.798 -12.403 1.00 1.43 N ATOM 0 H GLN A 31 -2.978 -1.911 -8.285 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.579 -2.395 -8.893 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.227 -0.334 -9.398 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.417 -1.213 -10.680 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.536 -1.504 -11.888 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.432 -0.780 -10.567 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -3.416 0.049 -12.451 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -3.935 1.682 -12.882 1.00 1.43 H new ATOM 507 N ASP A 32 -3.496 -4.050 -10.923 1.00 0.50 N ATOM 508 CA ASP A 32 -3.322 -5.177 -11.785 1.00 0.60 C ATOM 509 C ASP A 32 -3.870 -6.428 -11.191 1.00 0.65 C ATOM 510 O ASP A 32 -4.510 -7.266 -11.825 1.00 0.81 O ATOM 511 CB ASP A 32 -1.800 -5.230 -12.004 1.00 0.67 C ATOM 512 CG ASP A 32 -1.271 -4.348 -13.128 1.00 0.91 C ATOM 513 OD1 ASP A 32 -2.061 -3.590 -13.751 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.048 -4.278 -13.423 1.00 1.55 O ATOM 0 H ASP A 32 -2.607 -3.578 -10.757 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.868 -5.083 -12.724 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.306 -4.942 -11.076 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.515 -6.262 -12.210 1.00 0.67 H new ATOM 519 N LYS A 33 -3.637 -6.667 -9.888 1.00 0.62 N ATOM 520 CA LYS A 33 -4.024 -7.890 -9.258 1.00 0.73 C ATOM 521 C LYS A 33 -5.453 -7.869 -8.837 1.00 0.69 C ATOM 522 O LYS A 33 -6.200 -8.746 -9.269 1.00 0.83 O ATOM 523 CB LYS A 33 -3.184 -8.199 -8.006 1.00 0.85 C ATOM 524 CG LYS A 33 -1.684 -8.427 -8.198 1.00 1.31 C ATOM 525 CD LYS A 33 -0.896 -8.539 -6.891 1.00 1.71 C ATOM 526 CE LYS A 33 0.596 -8.395 -7.200 1.00 2.26 C ATOM 527 NZ LYS A 33 1.201 -9.686 -7.597 1.00 2.62 N ATOM 0 H LYS A 33 -3.175 -6.004 -9.265 1.00 0.62 H new ATOM 0 HA LYS A 33 -3.860 -8.660 -10.012 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -3.311 -7.375 -7.304 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -3.601 -9.088 -7.533 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.537 -9.339 -8.777 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.275 -7.606 -8.787 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -1.213 -7.765 -6.192 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -1.091 -9.499 -6.414 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.733 -7.668 -8.000 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.113 -8.005 -6.323 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.212 -9.548 -7.798 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.092 -10.373 -6.824 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.724 -10.045 -8.449 1.00 2.62 H new ATOM 541 N GLU A 34 -5.933 -6.965 -7.964 1.00 0.63 N ATOM 542 CA GLU A 34 -7.220 -7.006 -7.342 1.00 0.67 C ATOM 543 C GLU A 34 -8.213 -6.144 -8.043 1.00 0.69 C ATOM 544 O GLU A 34 -9.401 -6.294 -7.761 1.00 0.95 O ATOM 545 CB GLU A 34 -7.094 -6.603 -5.863 1.00 0.73 C ATOM 546 CG GLU A 34 -6.123 -7.407 -4.996 1.00 0.83 C ATOM 547 CD GLU A 34 -6.402 -8.902 -4.961 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.551 -9.236 -4.565 1.00 1.48 O ATOM 549 OE2 GLU A 34 -5.551 -9.768 -5.297 1.00 1.37 O ATOM 0 H GLU A 34 -5.386 -6.154 -7.675 1.00 0.63 H new ATOM 0 HA GLU A 34 -7.591 -8.029 -7.408 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.794 -5.556 -5.823 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -8.083 -6.668 -5.410 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -5.109 -7.247 -5.364 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -6.158 -7.019 -3.978 1.00 0.83 H new ATOM 556 N GLY A 35 -7.822 -5.190 -8.906 1.00 0.63 N ATOM 557 CA GLY A 35 -8.675 -4.430 -9.766 1.00 0.68 C ATOM 558 C GLY A 35 -9.184 -3.259 -8.996 1.00 0.76 C ATOM 559 O GLY A 35 -10.332 -2.847 -9.155 1.00 1.12 O ATOM 0 H GLY A 35 -6.841 -4.932 -9.009 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.127 -4.097 -10.648 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.504 -5.043 -10.119 1.00 0.68 H new ATOM 563 N ILE A 36 -8.419 -2.735 -8.024 1.00 0.70 N ATOM 564 CA ILE A 36 -8.905 -1.689 -7.177 1.00 0.76 C ATOM 565 C ILE A 36 -8.277 -0.446 -7.707 1.00 0.71 C ATOM 566 O ILE A 36 -7.080 -0.338 -7.971 1.00 0.73 O ATOM 567 CB ILE A 36 -8.519 -1.762 -5.730 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.949 -3.103 -5.112 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.261 -0.691 -4.913 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.469 -3.360 -3.684 1.00 1.16 C ATOM 0 H ILE A 36 -7.465 -3.034 -7.823 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.993 -1.747 -7.196 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.438 -1.627 -5.696 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -10.038 -3.155 -5.124 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.584 -3.909 -5.749 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.966 -0.762 -3.866 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.008 0.298 -5.295 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.336 -0.848 -4.998 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.829 -4.333 -3.349 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.379 -3.348 -3.659 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.856 -2.583 -3.025 1.00 1.16 H new ATOM 582 N PRO A 37 -8.982 0.630 -7.893 1.00 0.75 N ATOM 583 CA PRO A 37 -8.311 1.804 -8.369 1.00 0.79 C ATOM 584 C PRO A 37 -7.506 2.510 -7.333 1.00 0.75 C ATOM 585 O PRO A 37 -7.741 2.131 -6.187 1.00 0.75 O ATOM 586 CB PRO A 37 -9.429 2.754 -8.793 1.00 0.95 C ATOM 587 CG PRO A 37 -10.543 1.792 -9.232 1.00 1.02 C ATOM 588 CD PRO A 37 -10.381 0.591 -8.288 1.00 0.85 C ATOM 0 HA PRO A 37 -7.617 1.513 -9.157 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -9.748 3.395 -7.971 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.117 3.409 -9.606 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.528 2.248 -9.134 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.430 1.499 -10.276 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.041 0.672 -7.424 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.627 -0.345 -8.790 1.00 0.85 H new ATOM 596 N PRO A 38 -6.572 3.368 -7.618 1.00 0.81 N ATOM 597 CA PRO A 38 -5.670 3.892 -6.634 1.00 0.85 C ATOM 598 C PRO A 38 -6.293 4.834 -5.662 1.00 0.89 C ATOM 599 O PRO A 38 -5.813 4.870 -4.531 1.00 0.99 O ATOM 600 CB PRO A 38 -4.634 4.646 -7.464 1.00 1.01 C ATOM 601 CG PRO A 38 -4.520 3.866 -8.783 1.00 1.25 C ATOM 602 CD PRO A 38 -6.007 3.516 -8.951 1.00 0.98 C ATOM 0 HA PRO A 38 -5.278 3.082 -6.019 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -4.947 5.675 -7.642 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -3.674 4.689 -6.949 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.130 4.470 -9.602 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -3.882 2.986 -8.703 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.526 4.300 -9.503 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.122 2.594 -9.521 1.00 0.98 H new ATOM 610 N ASP A 39 -7.397 5.496 -6.054 1.00 0.96 N ATOM 611 CA ASP A 39 -8.122 6.422 -5.241 1.00 1.11 C ATOM 612 C ASP A 39 -8.918 5.740 -4.182 1.00 1.00 C ATOM 613 O ASP A 39 -9.272 6.290 -3.140 1.00 1.14 O ATOM 614 CB ASP A 39 -8.927 7.452 -6.050 1.00 1.39 C ATOM 615 CG ASP A 39 -10.027 6.867 -6.924 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.729 5.954 -7.740 1.00 2.23 O ATOM 617 OD2 ASP A 39 -11.196 7.317 -6.787 1.00 2.25 O ATOM 0 H ASP A 39 -7.803 5.379 -6.982 1.00 0.96 H new ATOM 0 HA ASP A 39 -7.372 7.015 -4.718 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -9.375 8.165 -5.358 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -8.239 8.011 -6.684 1.00 1.39 H new ATOM 622 N GLN A 40 -9.297 4.477 -4.447 1.00 0.87 N ATOM 623 CA GLN A 40 -10.061 3.686 -3.532 1.00 0.84 C ATOM 624 C GLN A 40 -9.234 2.996 -2.502 1.00 0.67 C ATOM 625 O GLN A 40 -9.762 2.422 -1.551 1.00 0.80 O ATOM 626 CB GLN A 40 -10.843 2.649 -4.355 1.00 0.95 C ATOM 627 CG GLN A 40 -11.882 3.263 -5.294 1.00 1.32 C ATOM 628 CD GLN A 40 -12.798 2.234 -5.941 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.107 1.210 -5.333 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.349 2.572 -7.137 1.00 2.02 N ATOM 0 H GLN A 40 -9.068 3.995 -5.316 1.00 0.87 H new ATOM 0 HA GLN A 40 -10.723 4.353 -2.980 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.139 2.060 -4.943 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.344 1.961 -3.674 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.488 3.977 -4.736 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -11.368 3.823 -6.075 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.063 3.431 -7.606 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.049 1.966 -7.565 1.00 2.02 H new ATOM 639 N GLN A 41 -7.902 2.984 -2.692 1.00 0.56 N ATOM 640 CA GLN A 41 -7.051 2.301 -1.767 1.00 0.51 C ATOM 641 C GLN A 41 -6.598 3.220 -0.685 1.00 0.49 C ATOM 642 O GLN A 41 -5.993 4.264 -0.923 1.00 0.65 O ATOM 643 CB GLN A 41 -5.718 1.859 -2.394 1.00 0.67 C ATOM 644 CG GLN A 41 -6.074 0.766 -3.404 1.00 0.69 C ATOM 645 CD GLN A 41 -4.893 0.468 -4.316 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.791 0.365 -3.780 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.216 0.259 -5.621 1.00 0.61 N ATOM 0 H GLN A 41 -7.422 3.437 -3.469 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.652 1.459 -1.424 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.219 2.696 -2.883 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.035 1.481 -1.634 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.370 -0.141 -2.876 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -6.930 1.081 -4.001 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.179 0.381 -5.934 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.495 -0.020 -6.286 1.00 0.61 H new ATOM 656 N ARG A 42 -6.903 2.838 0.568 1.00 0.47 N ATOM 657 CA ARG A 42 -6.321 3.436 1.729 1.00 0.55 C ATOM 658 C ARG A 42 -5.232 2.599 2.306 1.00 0.46 C ATOM 659 O ARG A 42 -5.454 1.583 2.961 1.00 0.52 O ATOM 660 CB ARG A 42 -7.321 3.859 2.819 1.00 0.73 C ATOM 661 CG ARG A 42 -6.640 4.511 4.024 1.00 1.04 C ATOM 662 CD ARG A 42 -7.653 5.067 5.027 1.00 1.28 C ATOM 663 NE ARG A 42 -8.165 6.265 4.303 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.307 6.948 4.609 1.00 2.19 C ATOM 665 NH1 ARG A 42 -10.095 6.462 5.613 1.00 2.34 N ATOM 666 NH2 ARG A 42 -9.585 8.095 3.923 1.00 2.78 N ATOM 0 H ARG A 42 -7.570 2.096 0.779 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.891 4.365 1.355 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -8.043 4.556 2.393 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.881 2.985 3.152 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -6.004 3.778 4.520 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -5.991 5.317 3.681 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.446 4.352 5.248 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.187 5.330 5.977 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.616 6.603 3.513 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.823 5.613 6.109 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.955 6.948 5.867 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -8.946 8.424 3.200 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.432 8.623 4.134 1.00 2.78 H new ATOM 680 N LEU A 43 -3.991 3.035 2.022 1.00 0.46 N ATOM 681 CA LEU A 43 -2.837 2.451 2.636 1.00 0.42 C ATOM 682 C LEU A 43 -2.467 2.992 3.974 1.00 0.43 C ATOM 683 O LEU A 43 -2.304 4.202 4.118 1.00 0.55 O ATOM 684 CB LEU A 43 -1.631 2.588 1.691 1.00 0.55 C ATOM 685 CG LEU A 43 -1.770 1.848 0.350 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.684 2.328 -0.628 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.716 0.315 0.458 1.00 1.12 C ATOM 0 H LEU A 43 -3.786 3.791 1.368 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.111 1.411 2.812 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.465 3.646 1.490 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.743 2.217 2.203 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.767 2.092 -0.017 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.789 1.800 -1.576 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.793 3.399 -0.796 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.301 2.126 -0.206 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.822 -0.124 -0.534 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.761 0.014 0.888 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.527 -0.034 1.097 1.00 1.12 H new ATOM 699 N ILE A 44 -2.328 2.156 5.019 1.00 0.42 N ATOM 700 CA ILE A 44 -1.967 2.481 6.364 1.00 0.46 C ATOM 701 C ILE A 44 -0.722 1.741 6.710 1.00 0.42 C ATOM 702 O ILE A 44 -0.620 0.519 6.615 1.00 0.53 O ATOM 703 CB ILE A 44 -3.010 2.150 7.391 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.343 2.847 7.069 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.469 2.497 8.789 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.528 2.307 7.866 1.00 1.27 C ATOM 0 H ILE A 44 -2.485 1.154 4.908 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.839 3.563 6.391 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.224 1.081 7.373 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.241 3.914 7.265 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.552 2.737 6.005 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.222 2.259 9.540 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.566 1.918 8.984 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.235 3.561 8.835 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.432 2.847 7.585 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.658 1.246 7.652 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.342 2.442 8.931 1.00 1.27 H new ATOM 718 N PHE A 45 0.302 2.488 7.161 1.00 0.42 N ATOM 719 CA PHE A 45 1.523 1.939 7.665 1.00 0.46 C ATOM 720 C PHE A 45 1.895 2.586 8.954 1.00 0.68 C ATOM 721 O PHE A 45 1.980 3.811 9.024 1.00 1.50 O ATOM 722 CB PHE A 45 2.665 2.105 6.648 1.00 0.56 C ATOM 723 CG PHE A 45 3.900 1.363 7.028 1.00 0.64 C ATOM 724 CD1 PHE A 45 3.812 0.028 7.342 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.040 2.099 7.256 1.00 1.19 C ATOM 726 CE1 PHE A 45 4.944 -0.615 7.784 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.135 1.471 7.801 1.00 1.33 C ATOM 728 CZ PHE A 45 6.088 0.112 8.011 1.00 1.02 C ATOM 0 H PHE A 45 0.279 3.508 7.175 1.00 0.42 H new ATOM 0 HA PHE A 45 1.364 0.874 7.835 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.327 1.759 5.671 1.00 0.56 H new ATOM 0 HB3 PHE A 45 2.902 3.164 6.546 1.00 0.56 H new ATOM 0 HD1 PHE A 45 2.877 -0.503 7.244 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.074 3.150 7.011 1.00 1.19 H new ATOM 0 HE1 PHE A 45 4.934 -1.682 7.951 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.018 2.036 8.060 1.00 1.33 H new ATOM 0 HZ PHE A 45 6.973 -0.397 8.363 1.00 1.02 H new ATOM 738 N ALA A 46 2.142 1.786 10.005 1.00 0.81 N ATOM 739 CA ALA A 46 2.509 2.160 11.336 1.00 0.96 C ATOM 740 C ALA A 46 1.502 2.939 12.111 1.00 0.97 C ATOM 741 O ALA A 46 1.268 2.696 13.294 1.00 1.21 O ATOM 742 CB ALA A 46 3.876 2.849 11.188 1.00 1.20 C ATOM 0 H ALA A 46 2.077 0.772 9.911 1.00 0.81 H new ATOM 0 HA ALA A 46 2.563 1.274 11.969 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.231 3.168 12.168 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.591 2.150 10.754 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.777 3.718 10.537 1.00 1.20 H new ATOM 748 N GLY A 47 0.801 3.897 11.480 1.00 0.99 N ATOM 749 CA GLY A 47 -0.247 4.726 11.992 1.00 1.10 C ATOM 750 C GLY A 47 -0.482 5.905 11.113 1.00 1.03 C ATOM 751 O GLY A 47 -1.488 6.594 11.272 1.00 1.30 O ATOM 0 H GLY A 47 0.992 4.113 10.502 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.165 4.144 12.077 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.011 5.064 12.996 1.00 1.10 H new ATOM 755 N LYS A 48 0.373 6.120 10.097 1.00 0.98 N ATOM 756 CA LYS A 48 0.258 7.129 9.089 1.00 1.05 C ATOM 757 C LYS A 48 -0.420 6.591 7.876 1.00 0.84 C ATOM 758 O LYS A 48 -0.051 5.559 7.316 1.00 0.81 O ATOM 759 CB LYS A 48 1.600 7.766 8.693 1.00 1.42 C ATOM 760 CG LYS A 48 2.387 8.402 9.841 1.00 1.61 C ATOM 761 CD LYS A 48 3.525 9.290 9.335 1.00 1.87 C ATOM 762 CE LYS A 48 4.692 9.449 10.312 1.00 2.22 C ATOM 763 NZ LYS A 48 4.279 10.280 11.466 1.00 2.55 N ATOM 0 H LYS A 48 1.206 5.545 9.972 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.346 7.919 9.534 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.222 7.002 8.227 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.412 8.528 7.937 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.712 8.995 10.458 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.795 7.618 10.478 1.00 1.61 H new ATOM 0 HD2 LYS A 48 3.904 8.875 8.401 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.123 10.277 9.105 1.00 1.87 H new ATOM 0 HE2 LYS A 48 5.022 8.470 10.659 1.00 2.22 H new ATOM 0 HE3 LYS A 48 5.540 9.911 9.806 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.078 10.382 12.124 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 3.985 11.219 11.130 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 3.484 9.823 11.956 1.00 2.55 H new ATOM 777 N GLN A 49 -1.411 7.335 7.355 1.00 0.84 N ATOM 778 CA GLN A 49 -1.996 6.964 6.105 1.00 0.80 C ATOM 779 C GLN A 49 -1.186 7.601 5.029 1.00 0.72 C ATOM 780 O GLN A 49 -0.529 8.626 5.211 1.00 0.83 O ATOM 781 CB GLN A 49 -3.454 7.443 5.990 1.00 1.03 C ATOM 782 CG GLN A 49 -3.620 8.959 5.867 1.00 1.67 C ATOM 783 CD GLN A 49 -5.115 9.249 5.836 1.00 1.92 C ATOM 784 OE1 GLN A 49 -5.763 8.782 6.771 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.586 9.911 4.745 1.00 2.48 N ATOM 0 H GLN A 49 -1.800 8.174 7.786 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.002 5.877 6.020 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.910 6.969 5.121 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -4.005 7.101 6.866 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.147 9.467 6.708 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.138 9.326 4.961 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.937 10.251 4.035 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.588 10.068 4.637 1.00 2.48 H new ATOM 794 N LEU A 50 -1.079 6.957 3.853 1.00 0.69 N ATOM 795 CA LEU A 50 -0.090 7.110 2.832 1.00 0.66 C ATOM 796 C LEU A 50 -0.666 7.814 1.652 1.00 0.72 C ATOM 797 O LEU A 50 -1.604 7.308 1.038 1.00 0.90 O ATOM 798 CB LEU A 50 0.784 5.890 2.495 1.00 0.65 C ATOM 799 CG LEU A 50 1.221 4.974 3.650 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.854 3.644 3.205 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.331 5.712 4.417 1.00 0.74 C ATOM 0 H LEU A 50 -1.766 6.249 3.592 1.00 0.69 H new ATOM 0 HA LEU A 50 0.673 7.750 3.276 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.242 5.280 1.772 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.684 6.251 1.997 1.00 0.65 H new ATOM 0 HG LEU A 50 0.322 4.750 4.224 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.132 3.062 4.083 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.136 3.081 2.609 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.743 3.846 2.607 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.671 5.095 5.248 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.167 5.910 3.746 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.943 6.655 4.801 1.00 0.74 H new ATOM 813 N GLU A 51 0.000 8.952 1.392 1.00 0.70 N ATOM 814 CA GLU A 51 -0.255 9.864 0.320 1.00 0.76 C ATOM 815 C GLU A 51 0.496 9.496 -0.914 1.00 0.77 C ATOM 816 O GLU A 51 1.658 9.101 -0.989 1.00 1.23 O ATOM 817 CB GLU A 51 0.139 11.286 0.756 1.00 0.88 C ATOM 818 CG GLU A 51 -0.089 12.417 -0.250 1.00 1.35 C ATOM 819 CD GLU A 51 0.109 13.820 0.306 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.661 13.957 1.431 1.00 1.89 O ATOM 821 OE2 GLU A 51 -0.249 14.896 -0.242 1.00 1.94 O ATOM 0 H GLU A 51 0.777 9.258 1.977 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.319 9.819 0.087 1.00 0.76 H new ATOM 0 HB2 GLU A 51 -0.414 11.526 1.664 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.197 11.277 1.020 1.00 0.88 H new ATOM 0 HG2 GLU A 51 0.589 12.277 -1.092 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -1.103 12.337 -0.641 1.00 1.35 H new ATOM 828 N ASP A 52 -0.173 9.572 -2.078 1.00 0.66 N ATOM 829 CA ASP A 52 0.072 9.129 -3.416 1.00 0.65 C ATOM 830 C ASP A 52 1.325 9.624 -4.052 1.00 0.60 C ATOM 831 O ASP A 52 2.190 8.846 -4.450 1.00 0.62 O ATOM 832 CB ASP A 52 -1.161 9.507 -4.253 1.00 0.81 C ATOM 833 CG ASP A 52 -2.488 9.029 -3.682 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.701 7.794 -3.543 1.00 1.44 O ATOM 835 OD2 ASP A 52 -3.296 9.899 -3.260 1.00 1.56 O ATOM 0 H ASP A 52 -1.075 10.047 -2.064 1.00 0.66 H new ATOM 0 HA ASP A 52 0.232 8.052 -3.372 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.195 10.592 -4.356 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.043 9.095 -5.255 1.00 0.81 H new ATOM 840 N GLY A 53 1.502 10.950 -4.200 1.00 0.68 N ATOM 841 CA GLY A 53 2.714 11.507 -4.715 1.00 0.73 C ATOM 842 C GLY A 53 3.835 11.643 -3.743 1.00 0.72 C ATOM 843 O GLY A 53 4.712 12.490 -3.907 1.00 0.97 O ATOM 0 H GLY A 53 0.795 11.644 -3.959 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.052 10.886 -5.545 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.492 12.493 -5.124 1.00 0.73 H new ATOM 847 N ARG A 54 3.932 10.787 -2.710 1.00 0.64 N ATOM 848 CA ARG A 54 5.104 10.632 -1.906 1.00 0.63 C ATOM 849 C ARG A 54 5.767 9.350 -2.279 1.00 0.59 C ATOM 850 O ARG A 54 5.181 8.430 -2.847 1.00 0.62 O ATOM 851 CB ARG A 54 4.658 10.588 -0.434 1.00 0.69 C ATOM 852 CG ARG A 54 3.730 11.669 0.121 1.00 0.82 C ATOM 853 CD ARG A 54 4.250 13.107 0.114 1.00 1.18 C ATOM 854 NE ARG A 54 3.226 14.133 0.464 1.00 1.50 N ATOM 855 CZ ARG A 54 3.491 15.468 0.566 1.00 2.00 C ATOM 856 NH1 ARG A 54 4.732 16.000 0.360 1.00 2.48 N ATOM 857 NH2 ARG A 54 2.484 16.346 0.842 1.00 2.49 N ATOM 0 H ARG A 54 3.164 10.179 -2.424 1.00 0.64 H new ATOM 0 HA ARG A 54 5.804 11.454 -2.058 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.168 9.628 -0.273 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.560 10.592 0.177 1.00 0.69 H new ATOM 0 HG2 ARG A 54 2.802 11.643 -0.449 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.480 11.405 1.149 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.079 13.184 0.817 1.00 1.18 H new ATOM 0 HD3 ARG A 54 4.649 13.332 -0.875 1.00 1.18 H new ATOM 0 HE ARG A 54 2.271 13.819 0.637 1.00 1.50 H new ATOM 0 HH11 ARG A 54 5.514 15.392 0.117 1.00 2.48 H new ATOM 0 HH12 ARG A 54 4.877 17.006 0.449 1.00 2.48 H new ATOM 0 HH21 ARG A 54 1.532 16.005 0.972 1.00 2.49 H new ATOM 0 HH22 ARG A 54 2.684 17.343 0.918 1.00 2.49 H new ATOM 871 N THR A 55 7.084 9.251 -2.025 1.00 0.63 N ATOM 872 CA THR A 55 7.785 8.017 -2.191 1.00 0.61 C ATOM 873 C THR A 55 7.807 7.285 -0.892 1.00 0.59 C ATOM 874 O THR A 55 7.628 7.868 0.175 1.00 0.64 O ATOM 875 CB THR A 55 9.162 8.160 -2.769 1.00 0.68 C ATOM 876 OG1 THR A 55 10.180 8.848 -2.056 1.00 0.75 O ATOM 877 CG2 THR A 55 9.089 8.784 -4.172 1.00 0.76 C ATOM 0 H THR A 55 7.664 10.027 -1.704 1.00 0.63 H new ATOM 0 HA THR A 55 7.238 7.438 -2.935 1.00 0.61 H new ATOM 0 HB THR A 55 9.487 7.120 -2.736 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.955 9.800 -2.002 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.095 8.882 -4.579 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.494 8.145 -4.824 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.626 9.769 -4.109 1.00 0.76 H new ATOM 885 N LEU A 56 8.254 6.017 -0.929 1.00 0.58 N ATOM 886 CA LEU A 56 8.621 5.166 0.160 1.00 0.59 C ATOM 887 C LEU A 56 9.685 5.700 1.056 1.00 0.64 C ATOM 888 O LEU A 56 9.717 5.449 2.260 1.00 0.70 O ATOM 889 CB LEU A 56 8.946 3.755 -0.360 1.00 0.60 C ATOM 890 CG LEU A 56 7.846 3.195 -1.277 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.346 2.078 -2.208 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.733 2.628 -0.382 1.00 1.03 C ATOM 0 H LEU A 56 8.370 5.538 -1.822 1.00 0.58 H new ATOM 0 HA LEU A 56 7.748 5.118 0.811 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.890 3.781 -0.905 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.085 3.083 0.487 1.00 0.60 H new ATOM 0 HG LEU A 56 7.495 4.007 -1.914 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.522 1.726 -2.829 1.00 1.05 H new ATOM 0 HD12 LEU A 56 9.141 2.464 -2.845 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.730 1.251 -1.611 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.936 2.222 -1.005 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.140 1.837 0.247 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.332 3.422 0.248 1.00 1.03 H new ATOM 904 N SER A 57 10.688 6.305 0.396 1.00 0.68 N ATOM 905 CA SER A 57 11.863 6.922 0.932 1.00 0.75 C ATOM 906 C SER A 57 11.621 8.123 1.779 1.00 0.76 C ATOM 907 O SER A 57 12.309 8.315 2.781 1.00 0.84 O ATOM 908 CB SER A 57 12.707 7.444 -0.243 1.00 0.84 C ATOM 909 OG SER A 57 13.986 7.836 0.233 1.00 1.19 O ATOM 0 H SER A 57 10.672 6.367 -0.622 1.00 0.68 H new ATOM 0 HA SER A 57 12.331 6.152 1.546 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.811 6.669 -1.003 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.208 8.290 -0.716 1.00 0.84 H new ATOM 0 HG SER A 57 14.526 8.168 -0.515 1.00 1.19 H new ATOM 915 N ASP A 58 10.559 8.876 1.446 1.00 0.75 N ATOM 916 CA ASP A 58 10.070 10.056 2.090 1.00 0.78 C ATOM 917 C ASP A 58 9.226 9.743 3.276 1.00 0.77 C ATOM 918 O ASP A 58 9.111 10.559 4.189 1.00 0.86 O ATOM 919 CB ASP A 58 9.116 10.838 1.172 1.00 0.83 C ATOM 920 CG ASP A 58 9.689 11.327 -0.150 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.816 11.884 -0.075 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.002 11.065 -1.174 1.00 1.90 O ATOM 0 H ASP A 58 9.984 8.631 0.640 1.00 0.75 H new ATOM 0 HA ASP A 58 10.967 10.615 2.356 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.255 10.205 0.957 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.746 11.702 1.723 1.00 0.83 H new ATOM 927 N TYR A 59 8.666 8.524 3.370 1.00 0.72 N ATOM 928 CA TYR A 59 7.949 8.092 4.531 1.00 0.73 C ATOM 929 C TYR A 59 8.881 7.276 5.358 1.00 0.76 C ATOM 930 O TYR A 59 8.692 7.091 6.560 1.00 0.89 O ATOM 931 CB TYR A 59 6.757 7.199 4.150 1.00 0.73 C ATOM 932 CG TYR A 59 5.530 8.024 3.961 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.917 8.591 5.053 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.915 8.069 2.733 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.741 9.272 4.844 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.708 8.709 2.567 1.00 0.70 C ATOM 937 CZ TYR A 59 3.121 9.368 3.621 1.00 0.74 C ATOM 938 OH TYR A 59 2.020 10.232 3.438 1.00 0.86 O ATOM 0 H TYR A 59 8.711 7.826 2.628 1.00 0.72 H new ATOM 0 HA TYR A 59 7.577 8.967 5.064 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.981 6.654 3.233 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.587 6.456 4.929 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.344 8.505 6.041 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.386 7.595 1.885 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.278 9.759 5.689 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.220 8.693 1.604 1.00 0.70 H new ATOM 0 HH TYR A 59 2.322 11.060 3.009 1.00 0.86 H new ATOM 948 N ASN A 60 10.053 6.879 4.831 1.00 0.74 N ATOM 949 CA ASN A 60 11.103 6.092 5.400 1.00 0.79 C ATOM 950 C ASN A 60 10.664 4.686 5.622 1.00 0.75 C ATOM 951 O ASN A 60 10.855 3.978 6.609 1.00 0.86 O ATOM 952 CB ASN A 60 11.743 6.670 6.674 1.00 0.95 C ATOM 953 CG ASN A 60 12.538 7.829 6.090 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.606 7.638 5.512 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.045 9.075 6.324 1.00 1.83 N ATOM 0 H ASN A 60 10.291 7.149 3.877 1.00 0.74 H new ATOM 0 HA ASN A 60 11.895 6.115 4.651 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.998 7.002 7.397 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.380 5.946 7.182 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.566 9.896 6.016 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.154 9.188 6.807 1.00 1.83 H new ATOM 962 N ILE A 61 9.954 4.162 4.607 1.00 0.67 N ATOM 963 CA ILE A 61 9.530 2.804 4.465 1.00 0.65 C ATOM 964 C ILE A 61 10.515 1.942 3.751 1.00 0.66 C ATOM 965 O ILE A 61 10.820 2.001 2.562 1.00 0.75 O ATOM 966 CB ILE A 61 8.262 2.736 3.667 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.173 3.331 4.575 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.758 1.302 3.436 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.762 3.551 4.033 1.00 0.82 C ATOM 0 H ILE A 61 9.652 4.738 3.821 1.00 0.67 H new ATOM 0 HA ILE A 61 9.405 2.439 5.484 1.00 0.65 H new ATOM 0 HB ILE A 61 8.449 3.227 2.712 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.088 2.682 5.447 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.538 4.295 4.930 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.838 1.329 2.852 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.514 0.733 2.895 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.564 0.825 4.397 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.134 3.977 4.815 1.00 0.82 H new ATOM 0 HD12 ILE A 61 5.800 4.235 3.186 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.343 2.598 3.711 1.00 0.82 H new ATOM 981 N GLN A 62 11.051 0.982 4.526 1.00 0.67 N ATOM 982 CA GLN A 62 12.133 0.179 4.048 1.00 0.70 C ATOM 983 C GLN A 62 11.527 -1.123 3.652 1.00 0.62 C ATOM 984 O GLN A 62 10.324 -1.250 3.434 1.00 0.64 O ATOM 985 CB GLN A 62 13.173 0.012 5.169 1.00 0.85 C ATOM 986 CG GLN A 62 13.707 1.405 5.506 1.00 1.27 C ATOM 987 CD GLN A 62 14.859 1.187 6.477 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.801 0.522 7.510 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.981 1.892 6.177 1.00 2.16 N ATOM 0 H GLN A 62 10.740 0.763 5.472 1.00 0.67 H new ATOM 0 HA GLN A 62 12.651 0.627 3.200 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.721 -0.449 6.047 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.983 -0.642 4.847 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.046 1.921 4.608 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.930 2.023 5.955 1.00 1.27 H new ATOM 0 HE21 GLN A 62 16.024 2.442 5.319 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.781 1.871 6.810 1.00 2.16 H new ATOM 998 N LYS A 63 12.328 -2.181 3.431 1.00 0.64 N ATOM 999 CA LYS A 63 11.875 -3.491 3.079 1.00 0.62 C ATOM 1000 C LYS A 63 11.230 -4.332 4.127 1.00 0.59 C ATOM 1001 O LYS A 63 11.177 -4.004 5.312 1.00 0.66 O ATOM 1002 CB LYS A 63 13.169 -4.189 2.629 1.00 0.74 C ATOM 1003 CG LYS A 63 14.100 -4.618 3.764 1.00 0.89 C ATOM 1004 CD LYS A 63 15.488 -4.901 3.185 1.00 1.11 C ATOM 1005 CE LYS A 63 16.516 -5.534 4.124 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.194 -6.952 4.395 1.00 2.12 N ATOM 0 H LYS A 63 13.344 -2.119 3.502 1.00 0.64 H new ATOM 0 HA LYS A 63 11.071 -3.378 2.352 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.904 -5.070 2.044 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.715 -3.518 1.966 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.159 -3.835 4.520 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.708 -5.508 4.257 1.00 0.89 H new ATOM 0 HD2 LYS A 63 15.368 -5.557 2.323 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.899 -3.961 2.816 1.00 1.11 H new ATOM 0 HE2 LYS A 63 17.509 -5.463 3.681 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.545 -4.980 5.062 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 17.073 -7.480 4.571 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.579 -7.015 5.231 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 15.704 -7.360 3.573 1.00 2.12 H new ATOM 1020 N GLU A 64 10.559 -5.428 3.728 1.00 0.57 N ATOM 1021 CA GLU A 64 9.971 -6.343 4.656 1.00 0.58 C ATOM 1022 C GLU A 64 8.881 -5.795 5.511 1.00 0.56 C ATOM 1023 O GLU A 64 8.399 -6.414 6.459 1.00 0.70 O ATOM 1024 CB GLU A 64 10.939 -7.370 5.268 1.00 0.72 C ATOM 1025 CG GLU A 64 12.011 -6.795 6.196 1.00 0.96 C ATOM 1026 CD GLU A 64 13.198 -7.698 6.498 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.956 -8.897 6.799 1.00 1.71 O ATOM 1028 OE2 GLU A 64 14.390 -7.291 6.454 1.00 1.69 O ATOM 0 H GLU A 64 10.423 -5.682 2.750 1.00 0.57 H new ATOM 0 HA GLU A 64 9.371 -7.003 4.030 1.00 0.58 H new ATOM 0 HB2 GLU A 64 10.357 -8.104 5.825 1.00 0.72 H new ATOM 0 HB3 GLU A 64 11.434 -7.904 4.457 1.00 0.72 H new ATOM 0 HG2 GLU A 64 12.387 -5.873 5.754 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.537 -6.526 7.140 1.00 0.96 H new ATOM 1035 N SER A 65 8.346 -4.655 5.041 1.00 0.51 N ATOM 1036 CA SER A 65 7.356 -3.880 5.722 1.00 0.51 C ATOM 1037 C SER A 65 5.999 -4.337 5.307 1.00 0.43 C ATOM 1038 O SER A 65 5.780 -4.819 4.197 1.00 0.50 O ATOM 1039 CB SER A 65 7.530 -2.367 5.504 1.00 0.65 C ATOM 1040 OG SER A 65 7.776 -2.137 4.123 1.00 1.04 O ATOM 0 H SER A 65 8.617 -4.254 4.143 1.00 0.51 H new ATOM 0 HA SER A 65 7.481 -4.041 6.793 1.00 0.51 H new ATOM 0 HB2 SER A 65 6.635 -1.833 5.824 1.00 0.65 H new ATOM 0 HB3 SER A 65 8.358 -1.990 6.104 1.00 0.65 H new ATOM 0 HG SER A 65 8.693 -1.813 4.004 1.00 1.04 H new ATOM 1046 N THR A 66 5.057 -4.162 6.250 1.00 0.45 N ATOM 1047 CA THR A 66 3.694 -4.582 6.150 1.00 0.45 C ATOM 1048 C THR A 66 2.744 -3.437 6.225 1.00 0.43 C ATOM 1049 O THR A 66 2.315 -2.980 7.283 1.00 0.58 O ATOM 1050 CB THR A 66 3.332 -5.670 7.117 1.00 0.61 C ATOM 1051 OG1 THR A 66 4.201 -6.780 6.943 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.932 -6.230 6.815 1.00 0.78 C ATOM 0 H THR A 66 5.260 -3.699 7.136 1.00 0.45 H new ATOM 0 HA THR A 66 3.598 -5.020 5.156 1.00 0.45 H new ATOM 0 HB THR A 66 3.391 -5.235 8.115 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.961 -7.486 7.578 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.693 -7.017 7.530 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.195 -5.431 6.896 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.914 -6.639 5.805 1.00 0.78 H new ATOM 1060 N LEU A 67 2.404 -2.937 5.024 1.00 0.38 N ATOM 1061 CA LEU A 67 1.466 -1.938 4.617 1.00 0.38 C ATOM 1062 C LEU A 67 0.085 -2.491 4.698 1.00 0.37 C ATOM 1063 O LEU A 67 -0.119 -3.666 4.398 1.00 0.50 O ATOM 1064 CB LEU A 67 1.763 -1.392 3.210 1.00 0.46 C ATOM 1065 CG LEU A 67 3.171 -0.927 2.802 1.00 0.65 C ATOM 1066 CD1 LEU A 67 3.018 -0.121 1.500 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.965 -0.130 3.850 1.00 1.31 C ATOM 0 H LEU A 67 2.877 -3.305 4.199 1.00 0.38 H new ATOM 0 HA LEU A 67 1.558 -1.092 5.298 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.470 -2.167 2.502 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.094 -0.546 3.052 1.00 0.46 H new ATOM 0 HG LEU A 67 3.776 -1.825 2.680 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.996 0.230 1.172 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.583 -0.756 0.728 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.366 0.734 1.676 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.939 0.139 3.441 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.418 0.776 4.109 1.00 1.31 H new ATOM 0 HD23 LEU A 67 4.102 -0.739 4.743 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.917 -1.756 5.214 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.247 -2.265 5.342 1.00 0.37 C ATOM 1081 C HIS A 68 -3.166 -1.653 4.342 1.00 0.35 C ATOM 1082 O HIS A 68 -3.056 -0.454 4.092 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.891 -1.932 6.699 1.00 0.49 C ATOM 1084 CG HIS A 68 -4.294 -2.419 6.905 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -4.742 -3.657 6.491 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -5.329 -1.961 7.659 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -5.941 -3.894 7.087 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -6.346 -2.879 7.827 1.00 1.51 N ATOM 0 H HIS A 68 -0.803 -0.798 5.546 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.132 -3.341 5.209 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.264 -2.350 7.487 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -2.882 -0.849 6.825 1.00 0.49 H new ATOM 0 HD1 HIS A 68 -4.258 -4.285 5.849 1.00 1.35 H new ATOM 0 HD2 HIS A 68 -5.353 -0.970 8.087 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -6.500 -4.811 6.968 1.00 1.41 H new ATOM 1096 N LEU A 69 -3.977 -2.448 3.621 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.829 -1.952 2.585 1.00 0.38 C ATOM 1098 C LEU A 69 -6.231 -2.139 3.053 1.00 0.41 C ATOM 1099 O LEU A 69 -6.861 -3.189 3.172 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.618 -2.812 1.328 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.616 -2.544 0.189 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.671 -1.042 -0.134 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.306 -3.468 -1.001 1.00 1.14 C ATOM 0 H LEU A 69 -4.042 -3.456 3.761 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.618 -0.906 2.361 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.608 -2.643 0.955 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.682 -3.863 1.609 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.632 -2.796 0.492 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.382 -0.869 -0.942 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.987 -0.491 0.752 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.683 -0.699 -0.441 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.015 -3.275 -1.806 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.293 -3.277 -1.356 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.389 -4.508 -0.685 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.824 -0.955 3.280 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.184 -0.675 3.627 1.00 0.56 C ATOM 1117 C VAL A 70 -8.788 -0.077 2.404 1.00 0.55 C ATOM 1118 O VAL A 70 -8.129 0.623 1.638 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.340 0.361 4.701 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.789 0.468 5.205 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.609 -0.135 5.960 1.00 0.97 C ATOM 0 H VAL A 70 -6.284 -0.093 3.212 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.638 -1.599 3.985 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.980 1.297 4.274 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.849 1.231 5.981 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.443 0.741 4.377 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -10.103 -0.492 5.615 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.710 0.604 6.754 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -8.045 -1.079 6.286 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.553 -0.282 5.733 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.085 -0.354 2.177 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.781 0.210 1.062 1.00 0.84 C ATOM 1133 C LEU A 71 -11.327 1.515 1.532 1.00 0.85 C ATOM 1134 O LEU A 71 -11.905 1.616 2.612 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.949 -0.694 0.633 1.00 1.26 C ATOM 1136 CG LEU A 71 -12.601 -0.470 -0.741 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -13.365 0.842 -0.990 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -11.592 -0.875 -1.829 1.00 2.78 C ATOM 0 H LEU A 71 -10.651 -0.967 2.764 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.112 0.322 0.208 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.596 -1.725 0.665 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.731 -0.601 1.387 1.00 1.26 H new ATOM 0 HG LEU A 71 -13.468 -1.129 -0.778 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -13.763 0.844 -2.005 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -14.186 0.926 -0.278 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.688 1.687 -0.864 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -12.037 -0.723 -2.812 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.694 -0.264 -1.738 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -11.329 -1.926 -1.708 1.00 2.78 H new