USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 847 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 97 LYS NZ :NH3+ -138:sc= 2.25 (180deg=-1.18) USER MOD Set 1.2: A 99 GLN : amide:sc= 0.972 K(o=3.2,f=-14!) USER MOD Single : A 1 MET CE :methyl 175:sc= -0.0639 (180deg=-0.111) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.125 K(o=-0.12,f=-0.87) USER MOD Single : A 7 GLN : amide:sc= -0.211 X(o=-0.21,f=-0.15) USER MOD Single : A 13 HIS : no HD1:sc= -0.558 X(o=-0.56,f=-0.63) USER MOD Single : A 14 GLN : amide:sc= -0.71 X(o=-0.71,f=-0.62) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -173:sc=-0.00287 (180deg=-0.104) USER MOD Single : A 21 SER OG : rot 89:sc= -0.45 USER MOD Single : A 22 THR OG1 : rot -71:sc= -1.2! USER MOD Single : A 23 TYR OH : rot 69:sc= -0.024 USER MOD Single : A 28 LYS NZ :NH3+ -108:sc= -1.77 (180deg=-2.87!) USER MOD Single : A 29 MET CE :methyl -161:sc= -0.749 (180deg=-2.09) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.128 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -1.05 X(o=-1.1,f=-1.2) USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= -0.0189 (180deg=-0.233) USER MOD Single : A 45 ASN : amide:sc= -0.585 X(o=-0.58,f=-0.17) USER MOD Single : A 50 SER OG : rot 180:sc= -0.256 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.94! C(o=-1.9!,f=-10!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 171:sc=-0.000508 (180deg=-0.0928) USER MOD Single : A 74 GLN : amide:sc= -1.32 K(o=-1.3,f=-3.2!) USER MOD Single : A 75 LYS NZ :NH3+ -110:sc= 0.617! (180deg=-0.927!) USER MOD Single : A 76 GLN : amide:sc= -0.989 K(o=-0.99,f=-5.4!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0947) USER MOD Single : A 95 LYS NZ :NH3+ -169:sc= 1.31 (180deg=1.05) USER MOD Single : A 96 TYR OH : rot 176:sc= 0.49 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.529 -2.816 13.020 1.00 75.31 N ATOM 2 CA MET A 1 -15.359 -2.976 12.113 1.00 53.34 C ATOM 3 C MET A 1 -15.624 -4.084 11.083 1.00 30.01 C ATOM 4 O MET A 1 -15.602 -5.269 11.417 1.00 32.21 O ATOM 5 CB MET A 1 -14.105 -3.305 12.933 1.00 12.34 C ATOM 6 CG MET A 1 -12.803 -3.167 12.157 1.00 3.53 C ATOM 7 SD MET A 1 -12.553 -1.492 11.538 1.00 52.20 S ATOM 8 CE MET A 1 -10.886 -1.614 10.894 1.00 24.44 C ATOM 0 H1 MET A 1 -16.333 -2.063 13.710 1.00 75.31 H new ATOM 0 H2 MET A 1 -17.369 -2.564 12.462 1.00 75.31 H new ATOM 0 H3 MET A 1 -16.703 -3.710 13.523 1.00 75.31 H new ATOM 0 HA MET A 1 -15.200 -2.040 11.578 1.00 53.34 H new ATOM 0 HB2 MET A 1 -14.069 -2.648 13.802 1.00 12.34 H new ATOM 0 HB3 MET A 1 -14.186 -4.325 13.308 1.00 12.34 H new ATOM 0 HG2 MET A 1 -11.968 -3.443 12.800 1.00 3.53 H new ATOM 0 HG3 MET A 1 -12.805 -3.865 11.320 1.00 3.53 H new ATOM 0 HE1 MET A 1 -10.619 -0.682 10.397 1.00 24.44 H new ATOM 0 HE2 MET A 1 -10.192 -1.800 11.714 1.00 24.44 H new ATOM 0 HE3 MET A 1 -10.831 -2.435 10.179 1.00 24.44 H new ATOM 20 N ASP A 2 -15.882 -3.688 9.839 1.00 60.44 N ATOM 21 CA ASP A 2 -16.251 -4.630 8.774 1.00 74.24 C ATOM 22 C ASP A 2 -15.157 -5.681 8.509 1.00 31.32 C ATOM 23 O ASP A 2 -13.966 -5.358 8.478 1.00 20.45 O ATOM 24 CB ASP A 2 -16.541 -3.854 7.488 1.00 21.05 C ATOM 25 CG ASP A 2 -17.548 -2.742 7.709 1.00 75.02 C ATOM 26 OD1 ASP A 2 -17.133 -1.630 8.103 1.00 62.43 O ATOM 27 OD2 ASP A 2 -18.754 -2.969 7.494 1.00 45.15 O ATOM 0 H ASP A 2 -15.843 -2.714 9.538 1.00 60.44 H new ATOM 0 HA ASP A 2 -17.140 -5.167 9.105 1.00 74.24 H new ATOM 0 HB2 ASP A 2 -15.613 -3.431 7.103 1.00 21.05 H new ATOM 0 HB3 ASP A 2 -16.918 -4.539 6.729 1.00 21.05 H new ATOM 32 N GLN A 3 -15.572 -6.933 8.303 1.00 10.05 N ATOM 33 CA GLN A 3 -14.645 -8.019 7.955 1.00 52.35 C ATOM 34 C GLN A 3 -13.835 -7.687 6.696 1.00 43.22 C ATOM 35 O GLN A 3 -12.718 -8.170 6.525 1.00 50.25 O ATOM 36 CB GLN A 3 -15.405 -9.339 7.762 1.00 31.22 C ATOM 37 CG GLN A 3 -15.823 -9.996 9.072 1.00 43.24 C ATOM 38 CD GLN A 3 -14.638 -10.503 9.877 1.00 4.14 C ATOM 39 OE1 GLN A 3 -13.620 -10.913 9.325 1.00 73.32 O ATOM 40 NE2 GLN A 3 -14.755 -10.468 11.185 1.00 61.44 N ATOM 0 H GLN A 3 -16.547 -7.223 8.371 1.00 10.05 H new ATOM 0 HA GLN A 3 -13.947 -8.131 8.785 1.00 52.35 H new ATOM 0 HB2 GLN A 3 -16.293 -9.153 7.158 1.00 31.22 H new ATOM 0 HB3 GLN A 3 -14.778 -10.032 7.201 1.00 31.22 H new ATOM 0 HG2 GLN A 3 -16.384 -9.279 9.671 1.00 43.24 H new ATOM 0 HG3 GLN A 3 -16.495 -10.827 8.859 1.00 43.24 H new ATOM 0 HE21 GLN A 3 -15.615 -10.121 11.611 1.00 61.44 H new ATOM 0 HE22 GLN A 3 -13.986 -10.787 11.775 1.00 61.44 H new ATOM 49 N PHE A 4 -14.404 -6.866 5.815 1.00 4.31 N ATOM 50 CA PHE A 4 -13.668 -6.359 4.655 1.00 20.00 C ATOM 51 C PHE A 4 -12.377 -5.672 5.112 1.00 33.41 C ATOM 52 O PHE A 4 -11.283 -6.000 4.653 1.00 43.43 O ATOM 53 CB PHE A 4 -14.540 -5.377 3.857 1.00 43.11 C ATOM 54 CG PHE A 4 -13.827 -4.746 2.682 1.00 63.44 C ATOM 55 CD1 PHE A 4 -13.682 -5.435 1.487 1.00 60.20 C ATOM 56 CD2 PHE A 4 -13.300 -3.465 2.778 1.00 60.33 C ATOM 57 CE1 PHE A 4 -13.029 -4.862 0.413 1.00 61.12 C ATOM 58 CE2 PHE A 4 -12.646 -2.887 1.708 1.00 62.10 C ATOM 59 CZ PHE A 4 -12.509 -3.586 0.525 1.00 72.35 C ATOM 0 H PHE A 4 -15.368 -6.538 5.880 1.00 4.31 H new ATOM 0 HA PHE A 4 -13.411 -7.198 4.009 1.00 20.00 H new ATOM 0 HB2 PHE A 4 -15.424 -5.902 3.495 1.00 43.11 H new ATOM 0 HB3 PHE A 4 -14.888 -4.589 4.525 1.00 43.11 H new ATOM 0 HD1 PHE A 4 -14.085 -6.433 1.395 1.00 60.20 H new ATOM 0 HD2 PHE A 4 -13.403 -2.914 3.701 1.00 60.33 H new ATOM 0 HE1 PHE A 4 -12.925 -5.410 -0.512 1.00 61.12 H new ATOM 0 HE2 PHE A 4 -12.242 -1.889 1.796 1.00 62.10 H new ATOM 0 HZ PHE A 4 -11.996 -3.136 -0.312 1.00 72.35 H new ATOM 69 N LEU A 5 -12.528 -4.741 6.050 1.00 53.24 N ATOM 70 CA LEU A 5 -11.398 -4.003 6.616 1.00 43.14 C ATOM 71 C LEU A 5 -10.469 -4.939 7.405 1.00 71.42 C ATOM 72 O LEU A 5 -9.258 -4.948 7.198 1.00 2.45 O ATOM 73 CB LEU A 5 -11.917 -2.886 7.536 1.00 3.12 C ATOM 74 CG LEU A 5 -12.942 -1.933 6.895 1.00 60.15 C ATOM 75 CD1 LEU A 5 -13.471 -0.936 7.922 1.00 74.30 C ATOM 76 CD2 LEU A 5 -12.329 -1.206 5.702 1.00 54.15 C ATOM 0 H LEU A 5 -13.433 -4.476 6.439 1.00 53.24 H new ATOM 0 HA LEU A 5 -10.827 -3.566 5.797 1.00 43.14 H new ATOM 0 HB2 LEU A 5 -12.370 -3.343 8.416 1.00 3.12 H new ATOM 0 HB3 LEU A 5 -11.067 -2.299 7.884 1.00 3.12 H new ATOM 0 HG LEU A 5 -13.782 -2.528 6.537 1.00 60.15 H new ATOM 0 HD11 LEU A 5 -14.194 -0.273 7.447 1.00 74.30 H new ATOM 0 HD12 LEU A 5 -13.954 -1.475 8.737 1.00 74.30 H new ATOM 0 HD13 LEU A 5 -12.643 -0.347 8.317 1.00 74.30 H new ATOM 0 HD21 LEU A 5 -13.070 -0.538 5.263 1.00 54.15 H new ATOM 0 HD22 LEU A 5 -11.468 -0.626 6.033 1.00 54.15 H new ATOM 0 HD23 LEU A 5 -12.011 -1.935 4.956 1.00 54.15 H new ATOM 88 N VAL A 6 -11.058 -5.735 8.297 1.00 44.54 N ATOM 89 CA VAL A 6 -10.297 -6.667 9.143 1.00 44.44 C ATOM 90 C VAL A 6 -9.388 -7.591 8.310 1.00 3.32 C ATOM 91 O VAL A 6 -8.192 -7.708 8.578 1.00 73.54 O ATOM 92 CB VAL A 6 -11.246 -7.538 10.012 1.00 70.32 C ATOM 93 CG1 VAL A 6 -10.455 -8.524 10.872 1.00 5.30 C ATOM 94 CG2 VAL A 6 -12.143 -6.658 10.882 1.00 54.23 C ATOM 0 H VAL A 6 -12.065 -5.756 8.456 1.00 44.54 H new ATOM 0 HA VAL A 6 -9.671 -6.054 9.791 1.00 44.44 H new ATOM 0 HB VAL A 6 -11.881 -8.115 9.340 1.00 70.32 H new ATOM 0 HG11 VAL A 6 -11.145 -9.120 11.470 1.00 5.30 H new ATOM 0 HG12 VAL A 6 -9.871 -9.181 10.228 1.00 5.30 H new ATOM 0 HG13 VAL A 6 -9.785 -7.974 11.533 1.00 5.30 H new ATOM 0 HG21 VAL A 6 -12.799 -7.288 11.482 1.00 54.23 H new ATOM 0 HG22 VAL A 6 -11.525 -6.047 11.540 1.00 54.23 H new ATOM 0 HG23 VAL A 6 -12.745 -6.010 10.245 1.00 54.23 H new ATOM 104 N GLN A 7 -9.967 -8.234 7.296 1.00 54.12 N ATOM 105 CA GLN A 7 -9.229 -9.186 6.455 1.00 41.11 C ATOM 106 C GLN A 7 -8.068 -8.518 5.698 1.00 44.12 C ATOM 107 O GLN A 7 -6.920 -8.956 5.806 1.00 32.24 O ATOM 108 CB GLN A 7 -10.175 -9.875 5.457 1.00 42.00 C ATOM 109 CG GLN A 7 -11.230 -10.767 6.110 1.00 11.35 C ATOM 110 CD GLN A 7 -10.625 -11.865 6.972 1.00 25.53 C ATOM 111 OE1 GLN A 7 -10.316 -12.950 6.495 1.00 40.04 O ATOM 112 NE2 GLN A 7 -10.472 -11.596 8.251 1.00 72.10 N ATOM 0 H GLN A 7 -10.946 -8.115 7.034 1.00 54.12 H new ATOM 0 HA GLN A 7 -8.802 -9.933 7.124 1.00 41.11 H new ATOM 0 HB2 GLN A 7 -10.678 -9.112 4.863 1.00 42.00 H new ATOM 0 HB3 GLN A 7 -9.583 -10.477 4.768 1.00 42.00 H new ATOM 0 HG2 GLN A 7 -11.889 -10.152 6.723 1.00 11.35 H new ATOM 0 HG3 GLN A 7 -11.847 -11.220 5.334 1.00 11.35 H new ATOM 0 HE21 GLN A 7 -10.740 -10.682 8.615 1.00 72.10 H new ATOM 0 HE22 GLN A 7 -10.086 -12.302 8.878 1.00 72.10 H new ATOM 121 N ILE A 8 -8.360 -7.459 4.938 1.00 12.00 N ATOM 122 CA ILE A 8 -7.324 -6.795 4.131 1.00 3.40 C ATOM 123 C ILE A 8 -6.197 -6.222 5.011 1.00 32.12 C ATOM 124 O ILE A 8 -5.017 -6.373 4.696 1.00 11.31 O ATOM 125 CB ILE A 8 -7.910 -5.675 3.224 1.00 35.34 C ATOM 126 CG1 ILE A 8 -8.587 -4.578 4.063 1.00 21.11 C ATOM 127 CG2 ILE A 8 -8.893 -6.269 2.214 1.00 5.12 C ATOM 128 CD1 ILE A 8 -9.164 -3.440 3.243 1.00 4.03 C ATOM 0 H ILE A 8 -9.289 -7.045 4.862 1.00 12.00 H new ATOM 0 HA ILE A 8 -6.904 -7.566 3.485 1.00 3.40 H new ATOM 0 HB ILE A 8 -7.087 -5.214 2.678 1.00 35.34 H new ATOM 0 HG12 ILE A 8 -9.385 -5.028 4.653 1.00 21.11 H new ATOM 0 HG13 ILE A 8 -7.860 -4.173 4.767 1.00 21.11 H new ATOM 0 HG21 ILE A 8 -9.295 -5.474 1.586 1.00 5.12 H new ATOM 0 HG22 ILE A 8 -8.377 -6.998 1.590 1.00 5.12 H new ATOM 0 HG23 ILE A 8 -9.709 -6.759 2.745 1.00 5.12 H new ATOM 0 HD11 ILE A 8 -9.623 -2.709 3.908 1.00 4.03 H new ATOM 0 HD12 ILE A 8 -8.367 -2.962 2.673 1.00 4.03 H new ATOM 0 HD13 ILE A 8 -9.917 -3.830 2.558 1.00 4.03 H new ATOM 140 N PHE A 9 -6.564 -5.590 6.127 1.00 50.42 N ATOM 141 CA PHE A 9 -5.576 -5.026 7.056 1.00 4.32 C ATOM 142 C PHE A 9 -4.681 -6.124 7.652 1.00 22.10 C ATOM 143 O PHE A 9 -3.457 -5.971 7.736 1.00 50.32 O ATOM 144 CB PHE A 9 -6.278 -4.245 8.181 1.00 53.22 C ATOM 145 CG PHE A 9 -7.031 -3.016 7.715 1.00 21.23 C ATOM 146 CD1 PHE A 9 -6.892 -2.533 6.418 1.00 22.04 C ATOM 147 CD2 PHE A 9 -7.871 -2.336 8.586 1.00 34.23 C ATOM 148 CE1 PHE A 9 -7.574 -1.406 6.005 1.00 33.41 C ATOM 149 CE2 PHE A 9 -8.555 -1.207 8.174 1.00 31.02 C ATOM 150 CZ PHE A 9 -8.406 -0.742 6.883 1.00 31.10 C ATOM 0 H PHE A 9 -7.534 -5.455 6.411 1.00 50.42 H new ATOM 0 HA PHE A 9 -4.943 -4.341 6.492 1.00 4.32 H new ATOM 0 HB2 PHE A 9 -6.975 -4.912 8.689 1.00 53.22 H new ATOM 0 HB3 PHE A 9 -5.532 -3.942 8.916 1.00 53.22 H new ATOM 0 HD1 PHE A 9 -6.242 -3.046 5.725 1.00 22.04 H new ATOM 0 HD2 PHE A 9 -7.992 -2.693 9.598 1.00 34.23 H new ATOM 0 HE1 PHE A 9 -7.456 -1.044 4.994 1.00 33.41 H new ATOM 0 HE2 PHE A 9 -9.206 -0.689 8.863 1.00 31.02 H new ATOM 0 HZ PHE A 9 -8.940 0.140 6.561 1.00 31.10 H new ATOM 160 N ALA A 10 -5.301 -7.236 8.049 1.00 65.33 N ATOM 161 CA ALA A 10 -4.569 -8.382 8.597 1.00 21.12 C ATOM 162 C ALA A 10 -3.455 -8.843 7.646 1.00 73.15 C ATOM 163 O ALA A 10 -2.344 -9.141 8.081 1.00 50.42 O ATOM 164 CB ALA A 10 -5.528 -9.532 8.887 1.00 34.23 C ATOM 0 H ALA A 10 -6.311 -7.369 8.002 1.00 65.33 H new ATOM 0 HA ALA A 10 -4.102 -8.066 9.529 1.00 21.12 H new ATOM 0 HB1 ALA A 10 -4.971 -10.376 9.293 1.00 34.23 H new ATOM 0 HB2 ALA A 10 -6.276 -9.208 9.611 1.00 34.23 H new ATOM 0 HB3 ALA A 10 -6.023 -9.834 7.964 1.00 34.23 H new ATOM 170 N VAL A 11 -3.756 -8.880 6.346 1.00 2.43 N ATOM 171 CA VAL A 11 -2.775 -9.290 5.332 1.00 13.50 C ATOM 172 C VAL A 11 -1.625 -8.273 5.221 1.00 73.24 C ATOM 173 O VAL A 11 -0.466 -8.643 5.020 1.00 53.12 O ATOM 174 CB VAL A 11 -3.441 -9.466 3.941 1.00 44.21 C ATOM 175 CG1 VAL A 11 -2.424 -9.941 2.903 1.00 74.23 C ATOM 176 CG2 VAL A 11 -4.622 -10.432 4.027 1.00 32.23 C ATOM 0 H VAL A 11 -4.670 -8.632 5.968 1.00 2.43 H new ATOM 0 HA VAL A 11 -2.369 -10.249 5.655 1.00 13.50 H new ATOM 0 HB VAL A 11 -3.817 -8.495 3.621 1.00 44.21 H new ATOM 0 HG11 VAL A 11 -2.916 -10.056 1.937 1.00 74.23 H new ATOM 0 HG12 VAL A 11 -1.623 -9.207 2.816 1.00 74.23 H new ATOM 0 HG13 VAL A 11 -2.007 -10.899 3.214 1.00 74.23 H new ATOM 0 HG21 VAL A 11 -5.075 -10.542 3.042 1.00 32.23 H new ATOM 0 HG22 VAL A 11 -4.273 -11.404 4.376 1.00 32.23 H new ATOM 0 HG23 VAL A 11 -5.362 -10.041 4.725 1.00 32.23 H new ATOM 186 N ILE A 12 -1.955 -6.990 5.367 1.00 0.14 N ATOM 187 CA ILE A 12 -0.958 -5.911 5.292 1.00 74.42 C ATOM 188 C ILE A 12 0.123 -6.044 6.385 1.00 52.12 C ATOM 189 O ILE A 12 1.296 -5.737 6.155 1.00 64.41 O ATOM 190 CB ILE A 12 -1.637 -4.522 5.403 1.00 20.34 C ATOM 191 CG1 ILE A 12 -2.664 -4.342 4.274 1.00 32.20 C ATOM 192 CG2 ILE A 12 -0.595 -3.402 5.368 1.00 33.55 C ATOM 193 CD1 ILE A 12 -3.504 -3.088 4.400 1.00 23.22 C ATOM 0 H ILE A 12 -2.907 -6.667 5.539 1.00 0.14 H new ATOM 0 HA ILE A 12 -0.472 -6.000 4.320 1.00 74.42 H new ATOM 0 HB ILE A 12 -2.157 -4.468 6.359 1.00 20.34 H new ATOM 0 HG12 ILE A 12 -2.139 -4.321 3.319 1.00 32.20 H new ATOM 0 HG13 ILE A 12 -3.324 -5.209 4.256 1.00 32.20 H new ATOM 0 HG21 ILE A 12 -1.095 -2.437 5.447 1.00 33.55 H new ATOM 0 HG22 ILE A 12 0.096 -3.522 6.202 1.00 33.55 H new ATOM 0 HG23 ILE A 12 -0.043 -3.448 4.429 1.00 33.55 H new ATOM 0 HD11 ILE A 12 -4.204 -3.033 3.566 1.00 23.22 H new ATOM 0 HD12 ILE A 12 -4.059 -3.114 5.338 1.00 23.22 H new ATOM 0 HD13 ILE A 12 -2.855 -2.212 4.387 1.00 23.22 H new ATOM 205 N HIS A 13 -0.271 -6.502 7.575 1.00 71.41 N ATOM 206 CA HIS A 13 0.690 -6.709 8.674 1.00 1.22 C ATOM 207 C HIS A 13 1.792 -7.728 8.306 1.00 22.21 C ATOM 208 O HIS A 13 2.874 -7.715 8.897 1.00 4.12 O ATOM 209 CB HIS A 13 -0.028 -7.164 9.954 1.00 1.53 C ATOM 210 CG HIS A 13 -0.894 -6.107 10.576 1.00 21.01 C ATOM 211 ND1 HIS A 13 -0.359 -5.090 11.337 1.00 33.33 N ATOM 212 CD2 HIS A 13 -2.240 -5.960 10.532 1.00 64.35 C ATOM 213 CE1 HIS A 13 -1.384 -4.356 11.732 1.00 73.33 C ATOM 214 NE2 HIS A 13 -2.543 -4.844 11.272 1.00 72.53 N ATOM 0 H HIS A 13 -1.236 -6.736 7.807 1.00 71.41 H new ATOM 0 HA HIS A 13 1.169 -5.746 8.852 1.00 1.22 H new ATOM 0 HB2 HIS A 13 -0.643 -8.034 9.724 1.00 1.53 H new ATOM 0 HB3 HIS A 13 0.717 -7.484 10.682 1.00 1.53 H new ATOM 0 HD2 HIS A 13 -2.940 -6.598 10.014 1.00 64.35 H new ATOM 0 HE1 HIS A 13 -1.298 -3.473 12.348 1.00 73.33 H new ATOM 0 HE2 HIS A 13 -3.473 -4.460 11.439 1.00 72.53 H new ATOM 222 N GLN A 14 1.521 -8.600 7.328 1.00 13.25 N ATOM 223 CA GLN A 14 2.494 -9.627 6.898 1.00 71.12 C ATOM 224 C GLN A 14 3.593 -9.060 5.975 1.00 24.33 C ATOM 225 O GLN A 14 4.534 -9.773 5.618 1.00 5.52 O ATOM 226 CB GLN A 14 1.772 -10.799 6.200 1.00 11.43 C ATOM 227 CG GLN A 14 1.234 -11.865 7.151 1.00 22.31 C ATOM 228 CD GLN A 14 0.250 -11.320 8.167 1.00 45.54 C ATOM 229 OE1 GLN A 14 0.629 -10.886 9.250 1.00 53.35 O ATOM 230 NE2 GLN A 14 -1.021 -11.349 7.835 1.00 60.31 N ATOM 0 H GLN A 14 0.639 -8.620 6.816 1.00 13.25 H new ATOM 0 HA GLN A 14 2.986 -9.987 7.802 1.00 71.12 H new ATOM 0 HB2 GLN A 14 0.944 -10.402 5.613 1.00 11.43 H new ATOM 0 HB3 GLN A 14 2.462 -11.269 5.500 1.00 11.43 H new ATOM 0 HG2 GLN A 14 0.749 -12.649 6.570 1.00 22.31 H new ATOM 0 HG3 GLN A 14 2.069 -12.328 7.676 1.00 22.31 H new ATOM 0 HE21 GLN A 14 -1.302 -11.717 6.926 1.00 60.31 H new ATOM 0 HE22 GLN A 14 -1.726 -11.004 8.486 1.00 60.31 H new ATOM 239 N ILE A 15 3.477 -7.791 5.589 1.00 15.01 N ATOM 240 CA ILE A 15 4.489 -7.152 4.738 1.00 22.45 C ATOM 241 C ILE A 15 5.752 -6.782 5.548 1.00 74.25 C ATOM 242 O ILE A 15 5.667 -6.049 6.536 1.00 15.34 O ATOM 243 CB ILE A 15 3.930 -5.873 4.058 1.00 21.21 C ATOM 244 CG1 ILE A 15 2.636 -6.192 3.290 1.00 25.43 C ATOM 245 CG2 ILE A 15 4.973 -5.260 3.120 1.00 54.15 C ATOM 246 CD1 ILE A 15 1.970 -4.975 2.680 1.00 42.32 C ATOM 0 H ILE A 15 2.699 -7.185 5.848 1.00 15.01 H new ATOM 0 HA ILE A 15 4.757 -7.877 3.969 1.00 22.45 H new ATOM 0 HB ILE A 15 3.699 -5.145 4.836 1.00 21.21 H new ATOM 0 HG12 ILE A 15 2.861 -6.906 2.498 1.00 25.43 H new ATOM 0 HG13 ILE A 15 1.933 -6.678 3.967 1.00 25.43 H new ATOM 0 HG21 ILE A 15 4.561 -4.365 2.654 1.00 54.15 H new ATOM 0 HG22 ILE A 15 5.864 -4.995 3.690 1.00 54.15 H new ATOM 0 HG23 ILE A 15 5.237 -5.983 2.348 1.00 54.15 H new ATOM 0 HD11 ILE A 15 1.065 -5.280 2.155 1.00 42.32 H new ATOM 0 HD12 ILE A 15 1.712 -4.268 3.468 1.00 42.32 H new ATOM 0 HD13 ILE A 15 2.654 -4.500 1.977 1.00 42.32 H new ATOM 258 N PRO A 16 6.935 -7.300 5.151 1.00 63.43 N ATOM 259 CA PRO A 16 8.212 -6.973 5.809 1.00 60.54 C ATOM 260 C PRO A 16 8.726 -5.568 5.443 1.00 2.24 C ATOM 261 O PRO A 16 8.459 -5.057 4.348 1.00 22.24 O ATOM 262 CB PRO A 16 9.184 -8.055 5.286 1.00 61.32 C ATOM 263 CG PRO A 16 8.336 -9.027 4.520 1.00 55.04 C ATOM 264 CD PRO A 16 7.133 -8.255 4.058 1.00 62.30 C ATOM 0 HA PRO A 16 8.110 -6.963 6.894 1.00 60.54 H new ATOM 0 HB2 PRO A 16 9.951 -7.617 4.647 1.00 61.32 H new ATOM 0 HB3 PRO A 16 9.699 -8.549 6.110 1.00 61.32 H new ATOM 0 HG2 PRO A 16 8.884 -9.439 3.673 1.00 55.04 H new ATOM 0 HG3 PRO A 16 8.042 -9.868 5.149 1.00 55.04 H new ATOM 0 HD2 PRO A 16 7.313 -7.753 3.107 1.00 62.30 H new ATOM 0 HD3 PRO A 16 6.265 -8.900 3.919 1.00 62.30 H new ATOM 272 N LYS A 17 9.475 -4.955 6.359 1.00 11.22 N ATOM 273 CA LYS A 17 10.035 -3.619 6.140 1.00 74.41 C ATOM 274 C LYS A 17 10.929 -3.575 4.892 1.00 25.24 C ATOM 275 O LYS A 17 12.009 -4.167 4.853 1.00 34.33 O ATOM 276 CB LYS A 17 10.828 -3.157 7.370 1.00 3.43 C ATOM 277 CG LYS A 17 11.446 -1.766 7.213 1.00 52.13 C ATOM 278 CD LYS A 17 12.102 -1.284 8.504 1.00 62.01 C ATOM 279 CE LYS A 17 11.094 -1.194 9.644 1.00 33.24 C ATOM 280 NZ LYS A 17 11.722 -0.742 10.909 1.00 12.21 N ATOM 0 H LYS A 17 9.710 -5.363 7.264 1.00 11.22 H new ATOM 0 HA LYS A 17 9.198 -2.939 5.978 1.00 74.41 H new ATOM 0 HB2 LYS A 17 10.169 -3.157 8.238 1.00 3.43 H new ATOM 0 HB3 LYS A 17 11.621 -3.877 7.572 1.00 3.43 H new ATOM 0 HG2 LYS A 17 12.188 -1.787 6.415 1.00 52.13 H new ATOM 0 HG3 LYS A 17 10.674 -1.058 6.912 1.00 52.13 H new ATOM 0 HD2 LYS A 17 12.906 -1.966 8.781 1.00 62.01 H new ATOM 0 HD3 LYS A 17 12.555 -0.306 8.340 1.00 62.01 H new ATOM 0 HE2 LYS A 17 10.297 -0.504 9.369 1.00 33.24 H new ATOM 0 HE3 LYS A 17 10.632 -2.169 9.797 1.00 33.24 H new ATOM 0 HZ1 LYS A 17 11.001 -0.695 11.657 1.00 12.21 H new ATOM 0 HZ2 LYS A 17 12.466 -1.414 11.187 1.00 12.21 H new ATOM 0 HZ3 LYS A 17 12.140 0.200 10.772 1.00 12.21 H new ATOM 294 N GLY A 18 10.447 -2.884 3.866 1.00 34.43 N ATOM 295 CA GLY A 18 11.208 -2.725 2.630 1.00 22.01 C ATOM 296 C GLY A 18 10.376 -3.031 1.394 1.00 52.33 C ATOM 297 O GLY A 18 10.591 -2.453 0.330 1.00 43.22 O ATOM 0 H GLY A 18 9.536 -2.426 3.864 1.00 34.43 H new ATOM 0 HA2 GLY A 18 11.585 -1.704 2.567 1.00 22.01 H new ATOM 0 HA3 GLY A 18 12.076 -3.384 2.653 1.00 22.01 H new ATOM 301 N LYS A 19 9.409 -3.930 1.543 1.00 42.22 N ATOM 302 CA LYS A 19 8.548 -4.332 0.427 1.00 25.55 C ATOM 303 C LYS A 19 7.247 -3.516 0.370 1.00 75.22 C ATOM 304 O LYS A 19 6.826 -2.904 1.358 1.00 54.34 O ATOM 305 CB LYS A 19 8.209 -5.824 0.533 1.00 70.21 C ATOM 306 CG LYS A 19 9.421 -6.747 0.429 1.00 3.22 C ATOM 307 CD LYS A 19 10.213 -6.500 -0.855 1.00 61.44 C ATOM 308 CE LYS A 19 11.336 -7.513 -1.034 1.00 22.21 C ATOM 309 NZ LYS A 19 12.275 -7.526 0.119 1.00 21.31 N ATOM 0 H LYS A 19 9.198 -4.397 2.425 1.00 42.22 H new ATOM 0 HA LYS A 19 9.103 -4.138 -0.491 1.00 25.55 H new ATOM 0 HB2 LYS A 19 7.708 -6.005 1.484 1.00 70.21 H new ATOM 0 HB3 LYS A 19 7.501 -6.082 -0.254 1.00 70.21 H new ATOM 0 HG2 LYS A 19 10.070 -6.594 1.291 1.00 3.22 H new ATOM 0 HG3 LYS A 19 9.091 -7.785 0.459 1.00 3.22 H new ATOM 0 HD2 LYS A 19 9.540 -6.549 -1.711 1.00 61.44 H new ATOM 0 HD3 LYS A 19 10.632 -5.494 -0.835 1.00 61.44 H new ATOM 0 HE2 LYS A 19 10.908 -8.507 -1.162 1.00 22.21 H new ATOM 0 HE3 LYS A 19 11.887 -7.283 -1.946 1.00 22.21 H new ATOM 0 HZ1 LYS A 19 13.084 -8.142 -0.099 1.00 21.31 H new ATOM 0 HZ2 LYS A 19 12.614 -6.560 0.301 1.00 21.31 H new ATOM 0 HZ3 LYS A 19 11.784 -7.885 0.962 1.00 21.31 H new ATOM 323 N VAL A 20 6.629 -3.517 -0.807 1.00 42.13 N ATOM 324 CA VAL A 20 5.318 -2.901 -1.024 1.00 10.14 C ATOM 325 C VAL A 20 4.380 -3.881 -1.741 1.00 10.23 C ATOM 326 O VAL A 20 4.822 -4.715 -2.536 1.00 0.15 O ATOM 327 CB VAL A 20 5.419 -1.590 -1.854 1.00 33.53 C ATOM 328 CG1 VAL A 20 6.215 -0.523 -1.105 1.00 71.11 C ATOM 329 CG2 VAL A 20 6.034 -1.862 -3.229 1.00 2.13 C ATOM 0 H VAL A 20 7.023 -3.947 -1.644 1.00 42.13 H new ATOM 0 HA VAL A 20 4.916 -2.652 -0.042 1.00 10.14 H new ATOM 0 HB VAL A 20 4.408 -1.210 -2.002 1.00 33.53 H new ATOM 0 HG11 VAL A 20 6.269 0.382 -1.710 1.00 71.11 H new ATOM 0 HG12 VAL A 20 5.722 -0.299 -0.159 1.00 71.11 H new ATOM 0 HG13 VAL A 20 7.223 -0.890 -0.911 1.00 71.11 H new ATOM 0 HG21 VAL A 20 6.094 -0.930 -3.791 1.00 2.13 H new ATOM 0 HG22 VAL A 20 7.034 -2.276 -3.105 1.00 2.13 H new ATOM 0 HG23 VAL A 20 5.412 -2.574 -3.772 1.00 2.13 H new ATOM 339 N SER A 21 3.091 -3.785 -1.449 1.00 2.30 N ATOM 340 CA SER A 21 2.085 -4.661 -2.068 1.00 51.10 C ATOM 341 C SER A 21 1.059 -3.846 -2.855 1.00 1.25 C ATOM 342 O SER A 21 0.903 -2.644 -2.637 1.00 54.45 O ATOM 343 CB SER A 21 1.365 -5.486 -0.997 1.00 44.53 C ATOM 344 OG SER A 21 0.635 -4.652 -0.107 1.00 72.44 O ATOM 0 H SER A 21 2.708 -3.110 -0.787 1.00 2.30 H new ATOM 0 HA SER A 21 2.604 -5.330 -2.754 1.00 51.10 H new ATOM 0 HB2 SER A 21 0.687 -6.193 -1.475 1.00 44.53 H new ATOM 0 HB3 SER A 21 2.093 -6.072 -0.435 1.00 44.53 H new ATOM 0 HG SER A 21 -0.269 -4.510 -0.459 1.00 72.44 H new ATOM 350 N THR A 22 0.362 -4.497 -3.778 1.00 60.25 N ATOM 351 CA THR A 22 -0.697 -3.835 -4.547 1.00 22.43 C ATOM 352 C THR A 22 -2.090 -4.223 -4.030 1.00 62.21 C ATOM 353 O THR A 22 -2.292 -5.336 -3.536 1.00 12.41 O ATOM 354 CB THR A 22 -0.607 -4.160 -6.058 1.00 31.42 C ATOM 355 OG1 THR A 22 -0.817 -5.561 -6.285 1.00 35.25 O ATOM 356 CG2 THR A 22 0.753 -3.759 -6.623 1.00 50.52 C ATOM 0 H THR A 22 0.506 -5.478 -4.015 1.00 60.25 H new ATOM 0 HA THR A 22 -0.548 -2.764 -4.412 1.00 22.43 H new ATOM 0 HB THR A 22 -1.385 -3.589 -6.565 1.00 31.42 H new ATOM 0 HG1 THR A 22 -0.044 -6.065 -5.955 1.00 35.25 H new ATOM 0 HG21 THR A 22 0.790 -3.998 -7.686 1.00 50.52 H new ATOM 0 HG22 THR A 22 0.902 -2.688 -6.486 1.00 50.52 H new ATOM 0 HG23 THR A 22 1.539 -4.304 -6.101 1.00 50.52 H new ATOM 364 N TYR A 23 -3.050 -3.300 -4.148 1.00 52.12 N ATOM 365 CA TYR A 23 -4.427 -3.533 -3.679 1.00 64.32 C ATOM 366 C TYR A 23 -4.998 -4.856 -4.212 1.00 62.12 C ATOM 367 O TYR A 23 -5.690 -5.579 -3.493 1.00 43.14 O ATOM 368 CB TYR A 23 -5.344 -2.378 -4.103 1.00 1.13 C ATOM 369 CG TYR A 23 -4.922 -1.020 -3.573 1.00 54.41 C ATOM 370 CD1 TYR A 23 -4.868 -0.774 -2.208 1.00 31.33 C ATOM 371 CD2 TYR A 23 -4.570 0.011 -4.437 1.00 63.33 C ATOM 372 CE1 TYR A 23 -4.477 0.457 -1.719 1.00 65.14 C ATOM 373 CE2 TYR A 23 -4.175 1.242 -3.955 1.00 64.11 C ATOM 374 CZ TYR A 23 -4.130 1.460 -2.595 1.00 43.14 C ATOM 375 OH TYR A 23 -3.728 2.683 -2.109 1.00 60.40 O ATOM 0 H TYR A 23 -2.902 -2.381 -4.565 1.00 52.12 H new ATOM 0 HA TYR A 23 -4.387 -3.590 -2.591 1.00 64.32 H new ATOM 0 HB2 TYR A 23 -5.377 -2.336 -5.192 1.00 1.13 H new ATOM 0 HB3 TYR A 23 -6.357 -2.590 -3.762 1.00 1.13 H new ATOM 0 HD1 TYR A 23 -5.136 -1.559 -1.516 1.00 31.33 H new ATOM 0 HD2 TYR A 23 -4.606 -0.155 -5.504 1.00 63.33 H new ATOM 0 HE1 TYR A 23 -4.444 0.632 -0.654 1.00 65.14 H new ATOM 0 HE2 TYR A 23 -3.902 2.031 -4.640 1.00 64.11 H new ATOM 0 HH TYR A 23 -2.852 2.592 -1.678 1.00 60.40 H new ATOM 385 N GLY A 24 -4.700 -5.160 -5.474 1.00 30.11 N ATOM 386 CA GLY A 24 -5.167 -6.400 -6.085 1.00 62.02 C ATOM 387 C GLY A 24 -4.675 -7.652 -5.359 1.00 61.23 C ATOM 388 O GLY A 24 -5.381 -8.660 -5.292 1.00 72.32 O ATOM 0 H GLY A 24 -4.141 -4.568 -6.089 1.00 30.11 H new ATOM 0 HA2 GLY A 24 -6.257 -6.402 -6.101 1.00 62.02 H new ATOM 0 HA3 GLY A 24 -4.833 -6.435 -7.122 1.00 62.02 H new ATOM 392 N GLU A 25 -3.460 -7.586 -4.812 1.00 12.03 N ATOM 393 CA GLU A 25 -2.881 -8.705 -4.058 1.00 42.01 C ATOM 394 C GLU A 25 -3.534 -8.842 -2.677 1.00 14.13 C ATOM 395 O GLU A 25 -4.033 -9.909 -2.319 1.00 24.31 O ATOM 396 CB GLU A 25 -1.369 -8.511 -3.895 1.00 31.23 C ATOM 397 CG GLU A 25 -0.618 -8.456 -5.216 1.00 34.10 C ATOM 398 CD GLU A 25 0.874 -8.244 -5.033 1.00 31.22 C ATOM 399 OE1 GLU A 25 1.296 -7.078 -4.902 1.00 34.25 O ATOM 400 OE2 GLU A 25 1.625 -9.247 -5.024 1.00 42.34 O ATOM 0 H GLU A 25 -2.854 -6.768 -4.876 1.00 12.03 H new ATOM 0 HA GLU A 25 -3.071 -9.618 -4.622 1.00 42.01 H new ATOM 0 HB2 GLU A 25 -1.187 -7.588 -3.344 1.00 31.23 H new ATOM 0 HB3 GLU A 25 -0.969 -9.327 -3.293 1.00 31.23 H new ATOM 0 HG2 GLU A 25 -0.785 -9.384 -5.763 1.00 34.10 H new ATOM 0 HG3 GLU A 25 -1.023 -7.649 -5.826 1.00 34.10 H new ATOM 407 N ILE A 26 -3.525 -7.752 -1.911 1.00 53.04 N ATOM 408 CA ILE A 26 -4.106 -7.737 -0.562 1.00 42.12 C ATOM 409 C ILE A 26 -5.586 -8.164 -0.583 1.00 42.12 C ATOM 410 O ILE A 26 -5.985 -9.087 0.129 1.00 13.42 O ATOM 411 CB ILE A 26 -3.983 -6.331 0.083 1.00 2.30 C ATOM 412 CG1 ILE A 26 -2.507 -5.897 0.163 1.00 74.01 C ATOM 413 CG2 ILE A 26 -4.622 -6.308 1.471 1.00 1.04 C ATOM 414 CD1 ILE A 26 -1.641 -6.799 1.022 1.00 61.15 C ATOM 0 H ILE A 26 -3.120 -6.862 -2.200 1.00 53.04 H new ATOM 0 HA ILE A 26 -3.543 -8.454 0.036 1.00 42.12 H new ATOM 0 HB ILE A 26 -4.518 -5.623 -0.550 1.00 2.30 H new ATOM 0 HG12 ILE A 26 -2.093 -5.867 -0.845 1.00 74.01 H new ATOM 0 HG13 ILE A 26 -2.459 -4.882 0.558 1.00 74.01 H new ATOM 0 HG21 ILE A 26 -4.522 -5.311 1.901 1.00 1.04 H new ATOM 0 HG22 ILE A 26 -5.678 -6.564 1.389 1.00 1.04 H new ATOM 0 HG23 ILE A 26 -4.122 -7.032 2.114 1.00 1.04 H new ATOM 0 HD11 ILE A 26 -0.617 -6.425 1.026 1.00 61.15 H new ATOM 0 HD12 ILE A 26 -2.027 -6.811 2.041 1.00 61.15 H new ATOM 0 HD13 ILE A 26 -1.656 -7.811 0.617 1.00 61.15 H new ATOM 426 N ALA A 27 -6.387 -7.501 -1.418 1.00 0.04 N ATOM 427 CA ALA A 27 -7.814 -7.822 -1.550 1.00 72.14 C ATOM 428 C ALA A 27 -8.032 -9.289 -1.954 1.00 5.12 C ATOM 429 O ALA A 27 -8.777 -10.021 -1.300 1.00 41.01 O ATOM 430 CB ALA A 27 -8.467 -6.888 -2.565 1.00 15.43 C ATOM 0 H ALA A 27 -6.074 -6.736 -2.016 1.00 0.04 H new ATOM 0 HA ALA A 27 -8.281 -7.678 -0.576 1.00 72.14 H new ATOM 0 HB1 ALA A 27 -9.525 -7.133 -2.657 1.00 15.43 H new ATOM 0 HB2 ALA A 27 -8.361 -5.856 -2.231 1.00 15.43 H new ATOM 0 HB3 ALA A 27 -7.982 -7.007 -3.534 1.00 15.43 H new ATOM 436 N LYS A 28 -7.361 -9.720 -3.020 1.00 74.34 N ATOM 437 CA LYS A 28 -7.487 -11.096 -3.519 1.00 25.51 C ATOM 438 C LYS A 28 -7.119 -12.121 -2.433 1.00 52.42 C ATOM 439 O LYS A 28 -7.865 -13.065 -2.177 1.00 2.43 O ATOM 440 CB LYS A 28 -6.590 -11.289 -4.750 1.00 73.20 C ATOM 441 CG LYS A 28 -6.783 -12.623 -5.463 1.00 41.21 C ATOM 442 CD LYS A 28 -5.848 -12.788 -6.666 1.00 51.30 C ATOM 443 CE LYS A 28 -6.054 -11.708 -7.730 1.00 25.11 C ATOM 444 NZ LYS A 28 -5.396 -10.417 -7.377 1.00 54.42 N ATOM 0 H LYS A 28 -6.721 -9.137 -3.560 1.00 74.34 H new ATOM 0 HA LYS A 28 -8.528 -11.261 -3.798 1.00 25.51 H new ATOM 0 HB2 LYS A 28 -6.783 -10.481 -5.456 1.00 73.20 H new ATOM 0 HB3 LYS A 28 -5.548 -11.202 -4.443 1.00 73.20 H new ATOM 0 HG2 LYS A 28 -6.609 -13.436 -4.758 1.00 41.21 H new ATOM 0 HG3 LYS A 28 -7.817 -12.706 -5.797 1.00 41.21 H new ATOM 0 HD2 LYS A 28 -4.814 -12.761 -6.323 1.00 51.30 H new ATOM 0 HD3 LYS A 28 -6.010 -13.768 -7.114 1.00 51.30 H new ATOM 0 HE2 LYS A 28 -5.660 -12.063 -8.682 1.00 25.11 H new ATOM 0 HE3 LYS A 28 -7.122 -11.540 -7.869 1.00 25.11 H new ATOM 0 HZ1 LYS A 28 -6.121 -9.717 -7.121 1.00 54.42 H new ATOM 0 HZ2 LYS A 28 -4.755 -10.563 -6.571 1.00 54.42 H new ATOM 0 HZ3 LYS A 28 -4.853 -10.070 -8.193 1.00 54.42 H new ATOM 458 N MET A 29 -5.976 -11.907 -1.784 1.00 34.02 N ATOM 459 CA MET A 29 -5.496 -12.807 -0.725 1.00 54.33 C ATOM 460 C MET A 29 -6.295 -12.645 0.582 1.00 4.45 C ATOM 461 O MET A 29 -6.114 -13.414 1.530 1.00 64.14 O ATOM 462 CB MET A 29 -3.997 -12.576 -0.476 1.00 21.42 C ATOM 463 CG MET A 29 -3.113 -13.035 -1.633 1.00 53.41 C ATOM 464 SD MET A 29 -1.352 -12.924 -1.259 1.00 2.22 S ATOM 465 CE MET A 29 -1.157 -11.160 -1.019 1.00 65.33 C ATOM 0 H MET A 29 -5.359 -11.116 -1.971 1.00 34.02 H new ATOM 0 HA MET A 29 -5.650 -13.830 -1.067 1.00 54.33 H new ATOM 0 HB2 MET A 29 -3.825 -11.515 -0.296 1.00 21.42 H new ATOM 0 HB3 MET A 29 -3.701 -13.105 0.430 1.00 21.42 H new ATOM 0 HG2 MET A 29 -3.361 -14.066 -1.886 1.00 53.41 H new ATOM 0 HG3 MET A 29 -3.331 -12.429 -2.513 1.00 53.41 H new ATOM 0 HE1 MET A 29 -0.105 -10.894 -1.116 1.00 65.33 H new ATOM 0 HE2 MET A 29 -1.738 -10.624 -1.770 1.00 65.33 H new ATOM 0 HE3 MET A 29 -1.510 -10.887 -0.024 1.00 65.33 H new ATOM 475 N ALA A 30 -7.158 -11.633 0.632 1.00 75.55 N ATOM 476 CA ALA A 30 -8.103 -11.466 1.745 1.00 73.04 C ATOM 477 C ALA A 30 -9.490 -12.025 1.382 1.00 31.51 C ATOM 478 O ALA A 30 -10.374 -12.126 2.234 1.00 23.51 O ATOM 479 CB ALA A 30 -8.207 -9.995 2.126 1.00 41.42 C ATOM 0 H ALA A 30 -7.226 -10.911 -0.086 1.00 75.55 H new ATOM 0 HA ALA A 30 -7.727 -12.028 2.600 1.00 73.04 H new ATOM 0 HB1 ALA A 30 -8.910 -9.882 2.952 1.00 41.42 H new ATOM 0 HB2 ALA A 30 -7.227 -9.628 2.431 1.00 41.42 H new ATOM 0 HB3 ALA A 30 -8.559 -9.421 1.269 1.00 41.42 H new ATOM 485 N GLY A 31 -9.665 -12.375 0.106 1.00 75.03 N ATOM 486 CA GLY A 31 -10.921 -12.957 -0.366 1.00 12.12 C ATOM 487 C GLY A 31 -11.884 -11.936 -0.960 1.00 40.41 C ATOM 488 O GLY A 31 -13.101 -12.039 -0.777 1.00 41.11 O ATOM 0 H GLY A 31 -8.954 -12.265 -0.617 1.00 75.03 H new ATOM 0 HA2 GLY A 31 -10.700 -13.715 -1.117 1.00 12.12 H new ATOM 0 HA3 GLY A 31 -11.411 -13.465 0.465 1.00 12.12 H new ATOM 492 N TYR A 32 -11.347 -10.948 -1.677 1.00 13.33 N ATOM 493 CA TYR A 32 -12.168 -9.893 -2.290 1.00 41.22 C ATOM 494 C TYR A 32 -11.678 -9.559 -3.713 1.00 42.53 C ATOM 495 O TYR A 32 -10.810 -8.704 -3.896 1.00 71.02 O ATOM 496 CB TYR A 32 -12.151 -8.629 -1.417 1.00 22.12 C ATOM 497 CG TYR A 32 -12.654 -8.861 -0.002 1.00 2.32 C ATOM 498 CD1 TYR A 32 -14.011 -8.810 0.293 1.00 34.14 C ATOM 499 CD2 TYR A 32 -11.768 -9.142 1.036 1.00 72.11 C ATOM 500 CE1 TYR A 32 -14.472 -9.030 1.577 1.00 32.50 C ATOM 501 CE2 TYR A 32 -12.223 -9.361 2.322 1.00 65.34 C ATOM 502 CZ TYR A 32 -13.574 -9.303 2.588 1.00 52.51 C ATOM 503 OH TYR A 32 -14.032 -9.521 3.870 1.00 15.31 O ATOM 0 H TYR A 32 -10.346 -10.853 -1.850 1.00 13.33 H new ATOM 0 HA TYR A 32 -13.190 -10.264 -2.361 1.00 41.22 H new ATOM 0 HB2 TYR A 32 -11.133 -8.241 -1.373 1.00 22.12 H new ATOM 0 HB3 TYR A 32 -12.764 -7.862 -1.891 1.00 22.12 H new ATOM 0 HD1 TYR A 32 -14.718 -8.595 -0.495 1.00 34.14 H new ATOM 0 HD2 TYR A 32 -10.708 -9.189 0.832 1.00 72.11 H new ATOM 0 HE1 TYR A 32 -15.530 -8.988 1.788 1.00 32.50 H new ATOM 0 HE2 TYR A 32 -11.523 -9.577 3.116 1.00 65.34 H new ATOM 0 HH TYR A 32 -13.272 -9.701 4.463 1.00 15.31 H new ATOM 513 N PRO A 33 -12.218 -10.243 -4.740 1.00 63.50 N ATOM 514 CA PRO A 33 -11.819 -10.015 -6.138 1.00 4.54 C ATOM 515 C PRO A 33 -12.422 -8.730 -6.743 1.00 22.34 C ATOM 516 O PRO A 33 -13.636 -8.511 -6.698 1.00 0.53 O ATOM 517 CB PRO A 33 -12.359 -11.259 -6.855 1.00 71.44 C ATOM 518 CG PRO A 33 -13.556 -11.663 -6.057 1.00 74.02 C ATOM 519 CD PRO A 33 -13.246 -11.302 -4.623 1.00 22.40 C ATOM 0 HA PRO A 33 -10.742 -9.874 -6.234 1.00 4.54 H new ATOM 0 HB2 PRO A 33 -12.628 -11.036 -7.888 1.00 71.44 H new ATOM 0 HB3 PRO A 33 -11.615 -12.055 -6.884 1.00 71.44 H new ATOM 0 HG2 PRO A 33 -14.449 -11.144 -6.405 1.00 74.02 H new ATOM 0 HG3 PRO A 33 -13.748 -12.731 -6.157 1.00 74.02 H new ATOM 0 HD2 PRO A 33 -14.133 -10.943 -4.100 1.00 22.40 H new ATOM 0 HD3 PRO A 33 -12.873 -12.161 -4.066 1.00 22.40 H new ATOM 527 N GLY A 34 -11.564 -7.885 -7.316 1.00 23.34 N ATOM 528 CA GLY A 34 -12.029 -6.654 -7.956 1.00 15.24 C ATOM 529 C GLY A 34 -12.325 -5.514 -6.981 1.00 74.11 C ATOM 530 O GLY A 34 -12.859 -4.477 -7.379 1.00 14.25 O ATOM 0 H GLY A 34 -10.555 -8.028 -7.350 1.00 23.34 H new ATOM 0 HA2 GLY A 34 -11.275 -6.321 -8.669 1.00 15.24 H new ATOM 0 HA3 GLY A 34 -12.932 -6.873 -8.526 1.00 15.24 H new ATOM 534 N TYR A 35 -11.975 -5.690 -5.709 1.00 20.50 N ATOM 535 CA TYR A 35 -12.206 -4.655 -4.688 1.00 13.11 C ATOM 536 C TYR A 35 -10.923 -3.868 -4.365 1.00 22.34 C ATOM 537 O TYR A 35 -10.817 -3.243 -3.309 1.00 43.54 O ATOM 538 CB TYR A 35 -12.772 -5.293 -3.410 1.00 11.34 C ATOM 539 CG TYR A 35 -14.175 -5.852 -3.577 1.00 43.44 C ATOM 540 CD1 TYR A 35 -14.379 -7.162 -3.993 1.00 41.34 C ATOM 541 CD2 TYR A 35 -15.295 -5.066 -3.322 1.00 74.13 C ATOM 542 CE1 TYR A 35 -15.653 -7.669 -4.156 1.00 4.22 C ATOM 543 CE2 TYR A 35 -16.571 -5.568 -3.480 1.00 24.35 C ATOM 544 CZ TYR A 35 -16.745 -6.868 -3.897 1.00 55.13 C ATOM 545 OH TYR A 35 -18.017 -7.371 -4.061 1.00 62.42 O ATOM 0 H TYR A 35 -11.530 -6.537 -5.355 1.00 20.50 H new ATOM 0 HA TYR A 35 -12.930 -3.948 -5.093 1.00 13.11 H new ATOM 0 HB2 TYR A 35 -12.107 -6.095 -3.089 1.00 11.34 H new ATOM 0 HB3 TYR A 35 -12.780 -4.548 -2.615 1.00 11.34 H new ATOM 0 HD1 TYR A 35 -13.527 -7.794 -4.192 1.00 41.34 H new ATOM 0 HD2 TYR A 35 -15.163 -4.045 -2.995 1.00 74.13 H new ATOM 0 HE1 TYR A 35 -15.793 -8.688 -4.485 1.00 4.22 H new ATOM 0 HE2 TYR A 35 -17.429 -4.944 -3.277 1.00 24.35 H new ATOM 0 HH TYR A 35 -18.674 -6.679 -3.836 1.00 62.42 H new ATOM 555 N ALA A 36 -9.971 -3.868 -5.299 1.00 40.00 N ATOM 556 CA ALA A 36 -8.695 -3.168 -5.117 1.00 23.10 C ATOM 557 C ALA A 36 -8.900 -1.673 -4.810 1.00 23.34 C ATOM 558 O ALA A 36 -8.373 -1.146 -3.826 1.00 42.25 O ATOM 559 CB ALA A 36 -7.830 -3.347 -6.360 1.00 42.55 C ATOM 0 H ALA A 36 -10.059 -4.348 -6.195 1.00 40.00 H new ATOM 0 HA ALA A 36 -8.188 -3.605 -4.257 1.00 23.10 H new ATOM 0 HB1 ALA A 36 -6.883 -2.826 -6.222 1.00 42.55 H new ATOM 0 HB2 ALA A 36 -7.640 -4.408 -6.522 1.00 42.55 H new ATOM 0 HB3 ALA A 36 -8.348 -2.935 -7.226 1.00 42.55 H new ATOM 565 N ARG A 37 -9.681 -1.004 -5.654 1.00 52.34 N ATOM 566 CA ARG A 37 -10.010 0.415 -5.460 1.00 23.33 C ATOM 567 C ARG A 37 -10.647 0.670 -4.080 1.00 23.44 C ATOM 568 O ARG A 37 -10.447 1.727 -3.478 1.00 63.51 O ATOM 569 CB ARG A 37 -10.962 0.876 -6.573 1.00 54.12 C ATOM 570 CG ARG A 37 -12.255 0.068 -6.634 1.00 70.42 C ATOM 571 CD ARG A 37 -13.083 0.399 -7.866 1.00 54.13 C ATOM 572 NE ARG A 37 -14.250 -0.474 -7.979 1.00 51.04 N ATOM 573 CZ ARG A 37 -14.773 -0.857 -9.110 1.00 74.14 C ATOM 574 NH1 ARG A 37 -14.286 -0.443 -10.236 1.00 34.55 N ATOM 575 NH2 ARG A 37 -15.787 -1.657 -9.110 1.00 10.31 N ATOM 0 H ARG A 37 -10.102 -1.420 -6.485 1.00 52.34 H new ATOM 0 HA ARG A 37 -9.083 0.987 -5.504 1.00 23.33 H new ATOM 0 HB2 ARG A 37 -11.206 1.927 -6.421 1.00 54.12 H new ATOM 0 HB3 ARG A 37 -10.450 0.803 -7.533 1.00 54.12 H new ATOM 0 HG2 ARG A 37 -12.017 -0.996 -6.634 1.00 70.42 H new ATOM 0 HG3 ARG A 37 -12.845 0.263 -5.739 1.00 70.42 H new ATOM 0 HD2 ARG A 37 -13.408 1.438 -7.818 1.00 54.13 H new ATOM 0 HD3 ARG A 37 -12.465 0.299 -8.758 1.00 54.13 H new ATOM 0 HE ARG A 37 -14.683 -0.805 -7.117 1.00 51.04 H new ATOM 0 HH11 ARG A 37 -13.485 0.189 -10.244 1.00 34.55 H new ATOM 0 HH12 ARG A 37 -14.703 -0.749 -11.115 1.00 34.55 H new ATOM 0 HH21 ARG A 37 -16.176 -1.987 -8.227 1.00 10.31 H new ATOM 0 HH22 ARG A 37 -16.199 -1.959 -9.993 1.00 10.31 H new ATOM 589 N HIS A 38 -11.403 -0.309 -3.581 1.00 22.11 N ATOM 590 CA HIS A 38 -12.087 -0.178 -2.287 1.00 61.11 C ATOM 591 C HIS A 38 -11.102 -0.311 -1.114 1.00 41.01 C ATOM 592 O HIS A 38 -11.283 0.313 -0.067 1.00 35.43 O ATOM 593 CB HIS A 38 -13.218 -1.209 -2.167 1.00 73.23 C ATOM 594 CG HIS A 38 -14.298 -1.022 -3.191 1.00 3.41 C ATOM 595 ND1 HIS A 38 -15.266 -0.058 -3.045 1.00 43.34 N ATOM 596 CD2 HIS A 38 -14.512 -1.686 -4.354 1.00 35.42 C ATOM 597 CE1 HIS A 38 -16.036 -0.154 -4.114 1.00 3.03 C ATOM 598 NE2 HIS A 38 -15.621 -1.126 -4.935 1.00 55.32 N ATOM 0 H HIS A 38 -11.559 -1.201 -4.050 1.00 22.11 H new ATOM 0 HA HIS A 38 -12.522 0.820 -2.241 1.00 61.11 H new ATOM 0 HB2 HIS A 38 -12.800 -2.211 -2.268 1.00 73.23 H new ATOM 0 HB3 HIS A 38 -13.656 -1.145 -1.171 1.00 73.23 H new ATOM 0 HD2 HIS A 38 -13.922 -2.500 -4.748 1.00 35.42 H new ATOM 0 HE1 HIS A 38 -16.894 0.474 -4.302 1.00 3.03 H new ATOM 0 HE2 HIS A 38 -16.047 -1.398 -5.821 1.00 55.32 H new ATOM 606 N VAL A 39 -10.058 -1.120 -1.291 1.00 73.21 N ATOM 607 CA VAL A 39 -8.978 -1.204 -0.299 1.00 54.35 C ATOM 608 C VAL A 39 -8.293 0.164 -0.139 1.00 61.42 C ATOM 609 O VAL A 39 -7.963 0.586 0.972 1.00 52.03 O ATOM 610 CB VAL A 39 -7.922 -2.273 -0.688 1.00 12.24 C ATOM 611 CG1 VAL A 39 -6.808 -2.358 0.357 1.00 45.20 C ATOM 612 CG2 VAL A 39 -8.586 -3.635 -0.881 1.00 61.00 C ATOM 0 H VAL A 39 -9.934 -1.723 -2.104 1.00 73.21 H new ATOM 0 HA VAL A 39 -9.428 -1.501 0.648 1.00 54.35 H new ATOM 0 HB VAL A 39 -7.470 -1.971 -1.632 1.00 12.24 H new ATOM 0 HG11 VAL A 39 -6.084 -3.115 0.056 1.00 45.20 H new ATOM 0 HG12 VAL A 39 -6.310 -1.392 0.437 1.00 45.20 H new ATOM 0 HG13 VAL A 39 -7.235 -2.628 1.323 1.00 45.20 H new ATOM 0 HG21 VAL A 39 -7.831 -4.373 -1.153 1.00 61.00 H new ATOM 0 HG22 VAL A 39 -9.071 -3.938 0.047 1.00 61.00 H new ATOM 0 HG23 VAL A 39 -9.330 -3.568 -1.674 1.00 61.00 H new ATOM 622 N GLY A 40 -8.097 0.856 -1.265 1.00 5.25 N ATOM 623 CA GLY A 40 -7.594 2.228 -1.231 1.00 55.04 C ATOM 624 C GLY A 40 -8.522 3.172 -0.467 1.00 62.35 C ATOM 625 O GLY A 40 -8.065 4.072 0.244 1.00 72.32 O ATOM 0 H GLY A 40 -8.277 0.492 -2.201 1.00 5.25 H new ATOM 0 HA2 GLY A 40 -6.608 2.239 -0.767 1.00 55.04 H new ATOM 0 HA3 GLY A 40 -7.470 2.592 -2.251 1.00 55.04 H new ATOM 629 N LYS A 41 -9.832 2.966 -0.621 1.00 24.12 N ATOM 630 CA LYS A 41 -10.836 3.719 0.145 1.00 51.31 C ATOM 631 C LYS A 41 -10.677 3.472 1.654 1.00 32.25 C ATOM 632 O LYS A 41 -10.814 4.391 2.463 1.00 21.42 O ATOM 633 CB LYS A 41 -12.253 3.319 -0.294 1.00 5.45 C ATOM 634 CG LYS A 41 -12.602 3.716 -1.726 1.00 25.04 C ATOM 635 CD LYS A 41 -13.981 3.199 -2.128 1.00 54.43 C ATOM 636 CE LYS A 41 -14.427 3.748 -3.477 1.00 41.24 C ATOM 637 NZ LYS A 41 -14.625 5.221 -3.439 1.00 2.32 N ATOM 0 H LYS A 41 -10.226 2.284 -1.269 1.00 24.12 H new ATOM 0 HA LYS A 41 -10.681 4.780 -0.054 1.00 51.31 H new ATOM 0 HB2 LYS A 41 -12.361 2.239 -0.192 1.00 5.45 H new ATOM 0 HB3 LYS A 41 -12.974 3.777 0.384 1.00 5.45 H new ATOM 0 HG2 LYS A 41 -12.577 4.802 -1.820 1.00 25.04 H new ATOM 0 HG3 LYS A 41 -11.850 3.320 -2.408 1.00 25.04 H new ATOM 0 HD2 LYS A 41 -13.962 2.110 -2.169 1.00 54.43 H new ATOM 0 HD3 LYS A 41 -14.709 3.477 -1.365 1.00 54.43 H new ATOM 0 HE2 LYS A 41 -13.682 3.501 -4.233 1.00 41.24 H new ATOM 0 HE3 LYS A 41 -15.357 3.264 -3.776 1.00 41.24 H new ATOM 0 HZ1 LYS A 41 -15.177 5.519 -4.269 1.00 2.32 H new ATOM 0 HZ2 LYS A 41 -15.137 5.480 -2.572 1.00 2.32 H new ATOM 0 HZ3 LYS A 41 -13.700 5.696 -3.450 1.00 2.32 H new ATOM 651 N ALA A 42 -10.393 2.221 2.016 1.00 62.24 N ATOM 652 CA ALA A 42 -10.175 1.838 3.415 1.00 51.31 C ATOM 653 C ALA A 42 -8.957 2.560 4.016 1.00 51.23 C ATOM 654 O ALA A 42 -9.048 3.170 5.085 1.00 40.50 O ATOM 655 CB ALA A 42 -9.998 0.326 3.515 1.00 61.42 C ATOM 0 H ALA A 42 -10.308 1.449 1.355 1.00 62.24 H new ATOM 0 HA ALA A 42 -11.051 2.139 3.989 1.00 51.31 H new ATOM 0 HB1 ALA A 42 -9.836 0.047 4.556 1.00 61.42 H new ATOM 0 HB2 ALA A 42 -10.893 -0.171 3.141 1.00 61.42 H new ATOM 0 HB3 ALA A 42 -9.138 0.020 2.920 1.00 61.42 H new ATOM 661 N LEU A 43 -7.821 2.497 3.319 1.00 43.41 N ATOM 662 CA LEU A 43 -6.591 3.152 3.783 1.00 74.40 C ATOM 663 C LEU A 43 -6.761 4.679 3.847 1.00 23.35 C ATOM 664 O LEU A 43 -6.251 5.334 4.755 1.00 53.03 O ATOM 665 CB LEU A 43 -5.412 2.789 2.868 1.00 13.22 C ATOM 666 CG LEU A 43 -5.147 1.283 2.699 1.00 31.22 C ATOM 667 CD1 LEU A 43 -3.913 1.048 1.834 1.00 22.43 C ATOM 668 CD2 LEU A 43 -4.995 0.596 4.057 1.00 32.13 C ATOM 0 H LEU A 43 -7.725 2.001 2.433 1.00 43.41 H new ATOM 0 HA LEU A 43 -6.382 2.792 4.790 1.00 74.40 H new ATOM 0 HB2 LEU A 43 -5.591 3.222 1.884 1.00 13.22 H new ATOM 0 HB3 LEU A 43 -4.510 3.257 3.263 1.00 13.22 H new ATOM 0 HG LEU A 43 -6.008 0.844 2.195 1.00 31.22 H new ATOM 0 HD11 LEU A 43 -3.743 -0.023 1.727 1.00 22.43 H new ATOM 0 HD12 LEU A 43 -4.068 1.491 0.850 1.00 22.43 H new ATOM 0 HD13 LEU A 43 -3.045 1.508 2.306 1.00 22.43 H new ATOM 0 HD21 LEU A 43 -4.809 -0.468 3.908 1.00 32.13 H new ATOM 0 HD22 LEU A 43 -4.158 1.039 4.597 1.00 32.13 H new ATOM 0 HD23 LEU A 43 -5.910 0.726 4.635 1.00 32.13 H new ATOM 680 N GLY A 44 -7.498 5.237 2.885 1.00 52.33 N ATOM 681 CA GLY A 44 -7.762 6.677 2.866 1.00 71.02 C ATOM 682 C GLY A 44 -8.661 7.152 4.009 1.00 1.23 C ATOM 683 O GLY A 44 -8.881 8.353 4.179 1.00 14.42 O ATOM 0 H GLY A 44 -7.920 4.719 2.114 1.00 52.33 H new ATOM 0 HA2 GLY A 44 -6.814 7.212 2.915 1.00 71.02 H new ATOM 0 HA3 GLY A 44 -8.228 6.940 1.916 1.00 71.02 H new ATOM 687 N ASN A 45 -9.195 6.208 4.783 1.00 3.34 N ATOM 688 CA ASN A 45 -10.027 6.527 5.950 1.00 62.05 C ATOM 689 C ASN A 45 -9.214 6.416 7.257 1.00 44.21 C ATOM 690 O ASN A 45 -9.695 6.769 8.335 1.00 51.34 O ATOM 691 CB ASN A 45 -11.238 5.580 5.992 1.00 73.51 C ATOM 692 CG ASN A 45 -12.247 5.943 7.072 1.00 24.03 C ATOM 693 OD1 ASN A 45 -13.187 6.691 6.833 1.00 10.13 O ATOM 694 ND2 ASN A 45 -12.065 5.418 8.267 1.00 34.03 N ATOM 0 H ASN A 45 -9.067 5.209 4.624 1.00 3.34 H new ATOM 0 HA ASN A 45 -10.375 7.556 5.860 1.00 62.05 H new ATOM 0 HB2 ASN A 45 -11.734 5.592 5.022 1.00 73.51 H new ATOM 0 HB3 ASN A 45 -10.888 4.561 6.158 1.00 73.51 H new ATOM 0 HD21 ASN A 45 -12.716 5.631 9.022 1.00 34.03 H new ATOM 0 HD22 ASN A 45 -11.273 4.798 8.436 1.00 34.03 H new ATOM 701 N LEU A 46 -7.975 5.935 7.153 1.00 11.41 N ATOM 702 CA LEU A 46 -7.125 5.702 8.329 1.00 25.11 C ATOM 703 C LEU A 46 -6.476 6.996 8.854 1.00 63.44 C ATOM 704 O LEU A 46 -6.262 7.952 8.102 1.00 43.31 O ATOM 705 CB LEU A 46 -6.028 4.680 7.991 1.00 52.50 C ATOM 706 CG LEU A 46 -6.521 3.252 7.717 1.00 43.53 C ATOM 707 CD1 LEU A 46 -5.357 2.348 7.325 1.00 41.54 C ATOM 708 CD2 LEU A 46 -7.252 2.691 8.936 1.00 22.44 C ATOM 0 H LEU A 46 -7.533 5.697 6.265 1.00 11.41 H new ATOM 0 HA LEU A 46 -7.771 5.315 9.117 1.00 25.11 H new ATOM 0 HB2 LEU A 46 -5.484 5.033 7.115 1.00 52.50 H new ATOM 0 HB3 LEU A 46 -5.317 4.649 8.817 1.00 52.50 H new ATOM 0 HG LEU A 46 -7.223 3.287 6.884 1.00 43.53 H new ATOM 0 HD11 LEU A 46 -5.727 1.340 7.135 1.00 41.54 H new ATOM 0 HD12 LEU A 46 -4.882 2.736 6.424 1.00 41.54 H new ATOM 0 HD13 LEU A 46 -4.629 2.320 8.136 1.00 41.54 H new ATOM 0 HD21 LEU A 46 -7.593 1.678 8.721 1.00 22.44 H new ATOM 0 HD22 LEU A 46 -6.575 2.672 9.790 1.00 22.44 H new ATOM 0 HD23 LEU A 46 -8.110 3.322 9.168 1.00 22.44 H new ATOM 720 N PRO A 47 -6.176 7.048 10.169 1.00 10.52 N ATOM 721 CA PRO A 47 -5.426 8.166 10.770 1.00 55.43 C ATOM 722 C PRO A 47 -3.988 8.271 10.225 1.00 31.05 C ATOM 723 O PRO A 47 -3.356 7.259 9.911 1.00 73.51 O ATOM 724 CB PRO A 47 -5.399 7.830 12.273 1.00 55.03 C ATOM 725 CG PRO A 47 -6.449 6.787 12.472 1.00 31.31 C ATOM 726 CD PRO A 47 -6.562 6.042 11.171 1.00 11.52 C ATOM 0 HA PRO A 47 -5.892 9.125 10.544 1.00 55.43 H new ATOM 0 HB2 PRO A 47 -4.419 7.461 12.574 1.00 55.03 H new ATOM 0 HB3 PRO A 47 -5.606 8.714 12.876 1.00 55.03 H new ATOM 0 HG2 PRO A 47 -6.177 6.112 13.283 1.00 31.31 H new ATOM 0 HG3 PRO A 47 -7.402 7.242 12.742 1.00 31.31 H new ATOM 0 HD2 PRO A 47 -5.902 5.175 11.145 1.00 11.52 H new ATOM 0 HD3 PRO A 47 -7.575 5.676 11.004 1.00 11.52 H new ATOM 734 N GLU A 48 -3.465 9.496 10.154 1.00 64.22 N ATOM 735 CA GLU A 48 -2.116 9.744 9.619 1.00 74.34 C ATOM 736 C GLU A 48 -1.024 9.059 10.476 1.00 31.34 C ATOM 737 O GLU A 48 0.141 8.972 10.074 1.00 25.31 O ATOM 738 CB GLU A 48 -1.864 11.259 9.530 1.00 12.25 C ATOM 739 CG GLU A 48 -0.602 11.641 8.759 1.00 44.50 C ATOM 740 CD GLU A 48 -0.380 13.146 8.693 1.00 35.30 C ATOM 741 OE1 GLU A 48 0.236 13.700 9.625 1.00 61.31 O ATOM 742 OE2 GLU A 48 -0.822 13.780 7.714 1.00 53.01 O ATOM 0 H GLU A 48 -3.953 10.338 10.460 1.00 64.22 H new ATOM 0 HA GLU A 48 -2.061 9.310 8.621 1.00 74.34 H new ATOM 0 HB2 GLU A 48 -2.723 11.731 9.054 1.00 12.25 H new ATOM 0 HB3 GLU A 48 -1.796 11.664 10.540 1.00 12.25 H new ATOM 0 HG2 GLU A 48 0.262 11.172 9.231 1.00 44.50 H new ATOM 0 HG3 GLU A 48 -0.667 11.244 7.746 1.00 44.50 H new ATOM 749 N GLY A 49 -1.405 8.584 11.662 1.00 41.35 N ATOM 750 CA GLY A 49 -0.481 7.839 12.514 1.00 33.04 C ATOM 751 C GLY A 49 -1.107 6.590 13.135 1.00 2.10 C ATOM 752 O GLY A 49 -0.982 6.358 14.340 1.00 0.33 O ATOM 0 H GLY A 49 -2.340 8.701 12.052 1.00 41.35 H new ATOM 0 HA2 GLY A 49 0.390 7.547 11.927 1.00 33.04 H new ATOM 0 HA3 GLY A 49 -0.124 8.492 13.310 1.00 33.04 H new ATOM 756 N SER A 50 -1.787 5.787 12.317 1.00 63.43 N ATOM 757 CA SER A 50 -2.380 4.519 12.782 1.00 45.30 C ATOM 758 C SER A 50 -1.318 3.426 12.989 1.00 23.34 C ATOM 759 O SER A 50 -0.182 3.551 12.531 1.00 42.14 O ATOM 760 CB SER A 50 -3.434 4.016 11.786 1.00 34.22 C ATOM 761 OG SER A 50 -3.982 2.770 12.198 1.00 11.40 O ATOM 0 H SER A 50 -1.945 5.986 11.329 1.00 63.43 H new ATOM 0 HA SER A 50 -2.850 4.726 13.743 1.00 45.30 H new ATOM 0 HB2 SER A 50 -4.231 4.754 11.694 1.00 34.22 H new ATOM 0 HB3 SER A 50 -2.983 3.909 10.799 1.00 34.22 H new ATOM 0 HG SER A 50 -4.651 2.475 11.546 1.00 11.40 H new ATOM 767 N LYS A 51 -1.705 2.350 13.678 1.00 53.42 N ATOM 768 CA LYS A 51 -0.802 1.216 13.933 1.00 12.13 C ATOM 769 C LYS A 51 -0.588 0.369 12.667 1.00 73.11 C ATOM 770 O LYS A 51 0.368 -0.402 12.575 1.00 35.33 O ATOM 771 CB LYS A 51 -1.366 0.330 15.054 1.00 22.13 C ATOM 772 CG LYS A 51 -2.754 -0.236 14.751 1.00 22.53 C ATOM 773 CD LYS A 51 -3.228 -1.212 15.826 1.00 53.13 C ATOM 774 CE LYS A 51 -2.348 -2.457 15.899 1.00 71.02 C ATOM 775 NZ LYS A 51 -2.844 -3.424 16.911 1.00 14.21 N ATOM 0 H LYS A 51 -2.639 2.236 14.072 1.00 53.42 H new ATOM 0 HA LYS A 51 0.161 1.625 14.238 1.00 12.13 H new ATOM 0 HB2 LYS A 51 -0.678 -0.496 15.233 1.00 22.13 H new ATOM 0 HB3 LYS A 51 -1.413 0.911 15.975 1.00 22.13 H new ATOM 0 HG2 LYS A 51 -3.468 0.583 14.667 1.00 22.53 H new ATOM 0 HG3 LYS A 51 -2.735 -0.743 13.786 1.00 22.53 H new ATOM 0 HD2 LYS A 51 -3.229 -0.712 16.794 1.00 53.13 H new ATOM 0 HD3 LYS A 51 -4.257 -1.507 15.619 1.00 53.13 H new ATOM 0 HE2 LYS A 51 -2.317 -2.938 14.921 1.00 71.02 H new ATOM 0 HE3 LYS A 51 -1.326 -2.166 16.144 1.00 71.02 H new ATOM 0 HZ1 LYS A 51 -2.220 -4.256 16.931 1.00 14.21 H new ATOM 0 HZ2 LYS A 51 -2.850 -2.973 17.848 1.00 14.21 H new ATOM 0 HZ3 LYS A 51 -3.809 -3.721 16.663 1.00 14.21 H new ATOM 789 N LEU A 52 -1.495 0.507 11.707 1.00 72.01 N ATOM 790 CA LEU A 52 -1.415 -0.233 10.444 1.00 11.30 C ATOM 791 C LEU A 52 -0.603 0.545 9.396 1.00 41.13 C ATOM 792 O LEU A 52 -0.903 1.710 9.117 1.00 33.22 O ATOM 793 CB LEU A 52 -2.825 -0.488 9.895 1.00 24.14 C ATOM 794 CG LEU A 52 -2.881 -1.217 8.541 1.00 30.03 C ATOM 795 CD1 LEU A 52 -2.511 -2.690 8.692 1.00 64.24 C ATOM 796 CD2 LEU A 52 -4.255 -1.061 7.905 1.00 3.35 C ATOM 0 H LEU A 52 -2.301 1.128 11.776 1.00 72.01 H new ATOM 0 HA LEU A 52 -0.915 -1.181 10.644 1.00 11.30 H new ATOM 0 HB2 LEU A 52 -3.382 -1.073 10.627 1.00 24.14 H new ATOM 0 HB3 LEU A 52 -3.337 0.469 9.795 1.00 24.14 H new ATOM 0 HG LEU A 52 -2.146 -0.759 7.880 1.00 30.03 H new ATOM 0 HD11 LEU A 52 -2.559 -3.179 7.719 1.00 64.24 H new ATOM 0 HD12 LEU A 52 -1.499 -2.772 9.089 1.00 64.24 H new ATOM 0 HD13 LEU A 52 -3.210 -3.172 9.376 1.00 64.24 H new ATOM 0 HD21 LEU A 52 -4.275 -1.583 6.949 1.00 3.35 H new ATOM 0 HD22 LEU A 52 -5.012 -1.485 8.565 1.00 3.35 H new ATOM 0 HD23 LEU A 52 -4.464 -0.003 7.745 1.00 3.35 H new ATOM 808 N PRO A 53 0.432 -0.074 8.794 1.00 72.05 N ATOM 809 CA PRO A 53 1.175 0.566 7.704 1.00 33.11 C ATOM 810 C PRO A 53 0.365 0.592 6.394 1.00 2.01 C ATOM 811 O PRO A 53 0.361 -0.371 5.626 1.00 61.25 O ATOM 812 CB PRO A 53 2.425 -0.313 7.566 1.00 14.04 C ATOM 813 CG PRO A 53 1.995 -1.659 8.051 1.00 20.30 C ATOM 814 CD PRO A 53 0.968 -1.410 9.128 1.00 34.41 C ATOM 0 HA PRO A 53 1.404 1.611 7.911 1.00 33.11 H new ATOM 0 HB2 PRO A 53 2.768 -0.355 6.532 1.00 14.04 H new ATOM 0 HB3 PRO A 53 3.251 0.077 8.160 1.00 14.04 H new ATOM 0 HG2 PRO A 53 1.571 -2.249 7.238 1.00 20.30 H new ATOM 0 HG3 PRO A 53 2.843 -2.220 8.444 1.00 20.30 H new ATOM 0 HD2 PRO A 53 0.186 -2.169 9.120 1.00 34.41 H new ATOM 0 HD3 PRO A 53 1.417 -1.425 10.121 1.00 34.41 H new ATOM 822 N TRP A 54 -0.312 1.709 6.147 1.00 51.21 N ATOM 823 CA TRP A 54 -1.139 1.873 4.943 1.00 51.53 C ATOM 824 C TRP A 54 -0.280 2.238 3.726 1.00 72.43 C ATOM 825 O TRP A 54 -0.582 1.861 2.595 1.00 43.14 O ATOM 826 CB TRP A 54 -2.206 2.955 5.182 1.00 71.42 C ATOM 827 CG TRP A 54 -1.635 4.283 5.608 1.00 41.03 C ATOM 828 CD1 TRP A 54 -1.368 4.690 6.885 1.00 63.35 C ATOM 829 CD2 TRP A 54 -1.264 5.377 4.754 1.00 32.24 C ATOM 830 NE1 TRP A 54 -0.846 5.959 6.877 1.00 65.12 N ATOM 831 CE2 TRP A 54 -0.773 6.404 5.583 1.00 51.42 C ATOM 832 CE3 TRP A 54 -1.294 5.588 3.372 1.00 1.14 C ATOM 833 CZ2 TRP A 54 -0.319 7.618 5.076 1.00 25.04 C ATOM 834 CZ3 TRP A 54 -0.841 6.794 2.871 1.00 0.21 C ATOM 835 CH2 TRP A 54 -0.359 7.795 3.721 1.00 51.43 C ATOM 0 H TRP A 54 -0.308 2.521 6.764 1.00 51.21 H new ATOM 0 HA TRP A 54 -1.631 0.922 4.736 1.00 51.53 H new ATOM 0 HB2 TRP A 54 -2.782 3.094 4.267 1.00 71.42 H new ATOM 0 HB3 TRP A 54 -2.900 2.606 5.946 1.00 71.42 H new ATOM 0 HD1 TRP A 54 -1.543 4.099 7.772 1.00 63.35 H new ATOM 0 HE1 TRP A 54 -0.559 6.486 7.702 1.00 65.12 H new ATOM 0 HE3 TRP A 54 -1.665 4.822 2.707 1.00 1.14 H new ATOM 0 HZ2 TRP A 54 0.052 8.393 5.730 1.00 25.04 H new ATOM 0 HZ3 TRP A 54 -0.860 6.966 1.805 1.00 0.21 H new ATOM 0 HH2 TRP A 54 -0.012 8.726 3.298 1.00 51.43 H new ATOM 846 N PHE A 55 0.806 2.957 3.983 1.00 3.34 N ATOM 847 CA PHE A 55 1.695 3.449 2.927 1.00 2.40 C ATOM 848 C PHE A 55 2.326 2.323 2.083 1.00 60.40 C ATOM 849 O PHE A 55 2.789 2.566 0.969 1.00 52.30 O ATOM 850 CB PHE A 55 2.789 4.342 3.541 1.00 41.41 C ATOM 851 CG PHE A 55 3.469 3.762 4.763 1.00 33.53 C ATOM 852 CD1 PHE A 55 4.603 2.971 4.643 1.00 22.34 C ATOM 853 CD2 PHE A 55 2.977 4.026 6.036 1.00 1.44 C ATOM 854 CE1 PHE A 55 5.230 2.457 5.763 1.00 1.43 C ATOM 855 CE2 PHE A 55 3.600 3.512 7.156 1.00 22.24 C ATOM 856 CZ PHE A 55 4.727 2.727 7.019 1.00 72.00 C ATOM 0 H PHE A 55 1.098 3.217 4.925 1.00 3.34 H new ATOM 0 HA PHE A 55 1.080 4.032 2.241 1.00 2.40 H new ATOM 0 HB2 PHE A 55 3.545 4.541 2.781 1.00 41.41 H new ATOM 0 HB3 PHE A 55 2.347 5.302 3.809 1.00 41.41 H new ATOM 0 HD1 PHE A 55 5.001 2.754 3.663 1.00 22.34 H new ATOM 0 HD2 PHE A 55 2.096 4.641 6.150 1.00 1.44 H new ATOM 0 HE1 PHE A 55 6.113 1.845 5.655 1.00 1.43 H new ATOM 0 HE2 PHE A 55 3.206 3.724 8.139 1.00 22.24 H new ATOM 0 HZ PHE A 55 5.215 2.324 7.894 1.00 72.00 H new ATOM 866 N ARG A 56 2.328 1.095 2.601 1.00 10.12 N ATOM 867 CA ARG A 56 2.947 -0.041 1.896 1.00 3.11 C ATOM 868 C ARG A 56 1.991 -0.726 0.909 1.00 54.33 C ATOM 869 O ARG A 56 2.291 -1.811 0.409 1.00 55.43 O ATOM 870 CB ARG A 56 3.476 -1.076 2.898 1.00 63.13 C ATOM 871 CG ARG A 56 4.656 -0.580 3.721 1.00 61.13 C ATOM 872 CD ARG A 56 5.317 -1.710 4.505 1.00 62.31 C ATOM 873 NE ARG A 56 6.515 -1.255 5.203 1.00 4.55 N ATOM 874 CZ ARG A 56 7.678 -1.093 4.640 1.00 14.41 C ATOM 875 NH1 ARG A 56 7.852 -1.365 3.381 1.00 71.01 N ATOM 876 NH2 ARG A 56 8.676 -0.672 5.344 1.00 61.22 N ATOM 0 H ARG A 56 1.912 0.856 3.501 1.00 10.12 H new ATOM 0 HA ARG A 56 3.773 0.373 1.318 1.00 3.11 H new ATOM 0 HB2 ARG A 56 2.669 -1.362 3.572 1.00 63.13 H new ATOM 0 HB3 ARG A 56 3.773 -1.974 2.357 1.00 63.13 H new ATOM 0 HG2 ARG A 56 5.390 -0.118 3.061 1.00 61.13 H new ATOM 0 HG3 ARG A 56 4.318 0.192 4.412 1.00 61.13 H new ATOM 0 HD2 ARG A 56 4.608 -2.116 5.226 1.00 62.31 H new ATOM 0 HD3 ARG A 56 5.578 -2.520 3.825 1.00 62.31 H new ATOM 0 HE ARG A 56 6.436 -1.050 6.199 1.00 4.55 H new ATOM 0 HH11 ARG A 56 7.072 -1.710 2.821 1.00 71.01 H new ATOM 0 HH12 ARG A 56 8.768 -1.233 2.953 1.00 71.01 H new ATOM 0 HH21 ARG A 56 8.551 -0.468 6.336 1.00 61.22 H new ATOM 0 HH22 ARG A 56 9.589 -0.543 4.908 1.00 61.22 H new ATOM 890 N VAL A 57 0.847 -0.107 0.624 1.00 12.15 N ATOM 891 CA VAL A 57 -0.111 -0.686 -0.327 1.00 72.21 C ATOM 892 C VAL A 57 -0.475 0.309 -1.449 1.00 54.42 C ATOM 893 O VAL A 57 -1.159 1.311 -1.223 1.00 72.23 O ATOM 894 CB VAL A 57 -1.403 -1.165 0.385 1.00 24.43 C ATOM 895 CG1 VAL A 57 -2.251 -2.024 -0.552 1.00 22.31 C ATOM 896 CG2 VAL A 57 -1.070 -1.927 1.669 1.00 31.14 C ATOM 0 H VAL A 57 0.560 0.784 1.030 1.00 12.15 H new ATOM 0 HA VAL A 57 0.381 -1.549 -0.775 1.00 72.21 H new ATOM 0 HB VAL A 57 -1.984 -0.284 0.658 1.00 24.43 H new ATOM 0 HG11 VAL A 57 -3.152 -2.349 -0.032 1.00 22.31 H new ATOM 0 HG12 VAL A 57 -2.529 -1.440 -1.429 1.00 22.31 H new ATOM 0 HG13 VAL A 57 -1.678 -2.897 -0.864 1.00 22.31 H new ATOM 0 HG21 VAL A 57 -1.993 -2.252 2.149 1.00 31.14 H new ATOM 0 HG22 VAL A 57 -0.461 -2.798 1.428 1.00 31.14 H new ATOM 0 HG23 VAL A 57 -0.519 -1.275 2.347 1.00 31.14 H new ATOM 906 N ILE A 58 -0.001 0.016 -2.663 1.00 72.31 N ATOM 907 CA ILE A 58 -0.247 0.862 -3.841 1.00 43.03 C ATOM 908 C ILE A 58 -1.119 0.132 -4.884 1.00 70.21 C ATOM 909 O ILE A 58 -1.610 -0.968 -4.627 1.00 2.13 O ATOM 910 CB ILE A 58 1.091 1.298 -4.490 1.00 45.05 C ATOM 911 CG1 ILE A 58 1.951 0.067 -4.834 1.00 11.10 C ATOM 912 CG2 ILE A 58 1.847 2.252 -3.562 1.00 51.42 C ATOM 913 CD1 ILE A 58 3.303 0.405 -5.429 1.00 1.10 C ATOM 0 H ILE A 58 0.563 -0.811 -2.860 1.00 72.31 H new ATOM 0 HA ILE A 58 -0.785 1.747 -3.502 1.00 43.03 H new ATOM 0 HB ILE A 58 0.873 1.827 -5.418 1.00 45.05 H new ATOM 0 HG12 ILE A 58 2.101 -0.523 -3.930 1.00 11.10 H new ATOM 0 HG13 ILE A 58 1.403 -0.561 -5.537 1.00 11.10 H new ATOM 0 HG21 ILE A 58 2.785 2.549 -4.032 1.00 51.42 H new ATOM 0 HG22 ILE A 58 1.238 3.137 -3.375 1.00 51.42 H new ATOM 0 HG23 ILE A 58 2.057 1.750 -2.617 1.00 51.42 H new ATOM 0 HD11 ILE A 58 3.847 -0.515 -5.643 1.00 1.10 H new ATOM 0 HD12 ILE A 58 3.164 0.967 -6.352 1.00 1.10 H new ATOM 0 HD13 ILE A 58 3.872 1.006 -4.720 1.00 1.10 H new ATOM 925 N ASN A 59 -1.332 0.739 -6.057 1.00 43.01 N ATOM 926 CA ASN A 59 -2.192 0.121 -7.080 1.00 73.44 C ATOM 927 C ASN A 59 -1.403 -0.841 -7.988 1.00 3.13 C ATOM 928 O ASN A 59 -0.175 -0.897 -7.937 1.00 63.51 O ATOM 929 CB ASN A 59 -2.926 1.190 -7.911 1.00 44.12 C ATOM 930 CG ASN A 59 -2.000 2.116 -8.683 1.00 33.03 C ATOM 931 OD1 ASN A 59 -0.913 1.733 -9.102 1.00 23.11 O ATOM 932 ND2 ASN A 59 -2.433 3.344 -8.891 1.00 72.53 N ATOM 0 H ASN A 59 -0.931 1.639 -6.321 1.00 43.01 H new ATOM 0 HA ASN A 59 -2.942 -0.471 -6.555 1.00 73.44 H new ATOM 0 HB2 ASN A 59 -3.595 0.693 -8.614 1.00 44.12 H new ATOM 0 HB3 ASN A 59 -3.549 1.788 -7.246 1.00 44.12 H new ATOM 0 HD21 ASN A 59 -1.859 4.006 -9.414 1.00 72.53 H new ATOM 0 HD22 ASN A 59 -3.342 3.632 -8.529 1.00 72.53 H new ATOM 939 N SER A 60 -2.122 -1.585 -8.831 1.00 2.32 N ATOM 940 CA SER A 60 -1.513 -2.627 -9.683 1.00 63.02 C ATOM 941 C SER A 60 -0.542 -2.048 -10.725 1.00 40.12 C ATOM 942 O SER A 60 0.237 -2.783 -11.338 1.00 33.32 O ATOM 943 CB SER A 60 -2.608 -3.433 -10.390 1.00 33.11 C ATOM 944 OG SER A 60 -3.439 -2.589 -11.168 1.00 61.23 O ATOM 0 H SER A 60 -3.131 -1.490 -8.947 1.00 2.32 H new ATOM 0 HA SER A 60 -0.934 -3.276 -9.026 1.00 63.02 H new ATOM 0 HB2 SER A 60 -2.152 -4.189 -11.029 1.00 33.11 H new ATOM 0 HB3 SER A 60 -3.210 -3.961 -9.651 1.00 33.11 H new ATOM 0 HG SER A 60 -4.129 -3.127 -11.610 1.00 61.23 H new ATOM 950 N GLN A 61 -0.600 -0.736 -10.938 1.00 25.25 N ATOM 951 CA GLN A 61 0.337 -0.054 -11.838 1.00 53.02 C ATOM 952 C GLN A 61 1.722 0.092 -11.194 1.00 44.12 C ATOM 953 O GLN A 61 2.747 0.095 -11.880 1.00 41.42 O ATOM 954 CB GLN A 61 -0.189 1.344 -12.192 1.00 64.03 C ATOM 955 CG GLN A 61 -1.523 1.353 -12.925 1.00 35.22 C ATOM 956 CD GLN A 61 -2.016 2.763 -13.192 1.00 44.24 C ATOM 957 OE1 GLN A 61 -1.684 3.365 -14.203 1.00 4.23 O ATOM 958 NE2 GLN A 61 -2.822 3.300 -12.294 1.00 32.00 N ATOM 0 H GLN A 61 -1.285 -0.120 -10.501 1.00 25.25 H new ATOM 0 HA GLN A 61 0.425 -0.661 -12.739 1.00 53.02 H new ATOM 0 HB2 GLN A 61 -0.290 1.923 -11.274 1.00 64.03 H new ATOM 0 HB3 GLN A 61 0.553 1.851 -12.809 1.00 64.03 H new ATOM 0 HG2 GLN A 61 -1.421 0.820 -13.870 1.00 35.22 H new ATOM 0 HG3 GLN A 61 -2.265 0.815 -12.334 1.00 35.22 H new ATOM 0 HE21 GLN A 61 -3.081 2.772 -11.460 1.00 32.00 H new ATOM 0 HE22 GLN A 61 -3.186 4.243 -12.434 1.00 32.00 H new ATOM 967 N GLY A 62 1.733 0.200 -9.869 1.00 65.40 N ATOM 968 CA GLY A 62 2.944 0.554 -9.143 1.00 33.23 C ATOM 969 C GLY A 62 2.931 2.011 -8.705 1.00 70.40 C ATOM 970 O GLY A 62 3.948 2.555 -8.279 1.00 72.40 O ATOM 0 H GLY A 62 0.916 0.047 -9.278 1.00 65.40 H new ATOM 0 HA2 GLY A 62 3.045 -0.088 -8.268 1.00 33.23 H new ATOM 0 HA3 GLY A 62 3.814 0.371 -9.774 1.00 33.23 H new ATOM 974 N LYS A 63 1.764 2.645 -8.818 1.00 11.44 N ATOM 975 CA LYS A 63 1.601 4.052 -8.445 1.00 71.41 C ATOM 976 C LYS A 63 0.892 4.215 -7.094 1.00 53.45 C ATOM 977 O LYS A 63 0.132 3.347 -6.660 1.00 30.42 O ATOM 978 CB LYS A 63 0.795 4.800 -9.514 1.00 34.23 C ATOM 979 CG LYS A 63 1.488 4.925 -10.866 1.00 32.41 C ATOM 980 CD LYS A 63 0.674 5.801 -11.814 1.00 54.23 C ATOM 981 CE LYS A 63 1.396 6.059 -13.128 1.00 3.21 C ATOM 982 NZ LYS A 63 0.649 7.017 -13.980 1.00 31.44 N ATOM 0 H LYS A 63 0.913 2.204 -9.167 1.00 11.44 H new ATOM 0 HA LYS A 63 2.604 4.472 -8.363 1.00 71.41 H new ATOM 0 HB2 LYS A 63 -0.157 4.288 -9.655 1.00 34.23 H new ATOM 0 HB3 LYS A 63 0.568 5.800 -9.144 1.00 34.23 H new ATOM 0 HG2 LYS A 63 2.482 5.352 -10.732 1.00 32.41 H new ATOM 0 HG3 LYS A 63 1.623 3.936 -11.303 1.00 32.41 H new ATOM 0 HD2 LYS A 63 -0.283 5.321 -12.017 1.00 54.23 H new ATOM 0 HD3 LYS A 63 0.457 6.753 -11.329 1.00 54.23 H new ATOM 0 HE2 LYS A 63 2.393 6.451 -12.926 1.00 3.21 H new ATOM 0 HE3 LYS A 63 1.526 5.119 -13.664 1.00 3.21 H new ATOM 0 HZ1 LYS A 63 1.169 7.170 -14.868 1.00 31.44 H new ATOM 0 HZ2 LYS A 63 -0.293 6.631 -14.193 1.00 31.44 H new ATOM 0 HZ3 LYS A 63 0.547 7.922 -13.478 1.00 31.44 H new ATOM 996 N ILE A 64 1.135 5.350 -6.448 1.00 34.03 N ATOM 997 CA ILE A 64 0.439 5.703 -5.209 1.00 11.10 C ATOM 998 C ILE A 64 -1.019 6.105 -5.504 1.00 42.15 C ATOM 999 O ILE A 64 -1.276 6.931 -6.382 1.00 31.20 O ATOM 1000 CB ILE A 64 1.161 6.865 -4.474 1.00 33.40 C ATOM 1001 CG1 ILE A 64 2.609 6.466 -4.133 1.00 23.23 C ATOM 1002 CG2 ILE A 64 0.398 7.267 -3.212 1.00 33.03 C ATOM 1003 CD1 ILE A 64 3.396 7.552 -3.424 1.00 55.23 C ATOM 0 H ILE A 64 1.811 6.046 -6.761 1.00 34.03 H new ATOM 0 HA ILE A 64 0.446 4.825 -4.564 1.00 11.10 H new ATOM 0 HB ILE A 64 1.189 7.728 -5.139 1.00 33.40 H new ATOM 0 HG12 ILE A 64 2.592 5.575 -3.505 1.00 23.23 H new ATOM 0 HG13 ILE A 64 3.128 6.197 -5.053 1.00 23.23 H new ATOM 0 HG21 ILE A 64 0.923 8.082 -2.714 1.00 33.03 H new ATOM 0 HG22 ILE A 64 -0.606 7.593 -3.482 1.00 33.03 H new ATOM 0 HG23 ILE A 64 0.333 6.412 -2.538 1.00 33.03 H new ATOM 0 HD11 ILE A 64 4.405 7.195 -3.218 1.00 55.23 H new ATOM 0 HD12 ILE A 64 3.447 8.437 -4.058 1.00 55.23 H new ATOM 0 HD13 ILE A 64 2.902 7.805 -2.486 1.00 55.23 H new ATOM 1015 N SER A 65 -1.971 5.502 -4.786 1.00 50.34 N ATOM 1016 CA SER A 65 -3.402 5.799 -4.996 1.00 1.10 C ATOM 1017 C SER A 65 -3.757 7.228 -4.563 1.00 14.51 C ATOM 1018 O SER A 65 -4.566 7.898 -5.203 1.00 61.21 O ATOM 1019 CB SER A 65 -4.288 4.808 -4.232 1.00 70.40 C ATOM 1020 OG SER A 65 -5.670 5.097 -4.415 1.00 32.21 O ATOM 0 H SER A 65 -1.785 4.811 -4.059 1.00 50.34 H new ATOM 0 HA SER A 65 -3.588 5.702 -6.066 1.00 1.10 H new ATOM 0 HB2 SER A 65 -4.079 3.794 -4.572 1.00 70.40 H new ATOM 0 HB3 SER A 65 -4.045 4.844 -3.170 1.00 70.40 H new ATOM 0 HG SER A 65 -6.209 4.447 -3.917 1.00 32.21 H new ATOM 1026 N LEU A 66 -3.162 7.680 -3.462 1.00 12.53 N ATOM 1027 CA LEU A 66 -3.399 9.036 -2.960 1.00 65.44 C ATOM 1028 C LEU A 66 -2.680 10.081 -3.825 1.00 15.30 C ATOM 1029 O LEU A 66 -1.571 9.848 -4.305 1.00 31.12 O ATOM 1030 CB LEU A 66 -2.943 9.153 -1.501 1.00 73.45 C ATOM 1031 CG LEU A 66 -3.673 8.229 -0.509 1.00 11.24 C ATOM 1032 CD1 LEU A 66 -3.165 8.451 0.912 1.00 24.43 C ATOM 1033 CD2 LEU A 66 -5.185 8.441 -0.580 1.00 45.35 C ATOM 0 H LEU A 66 -2.513 7.130 -2.899 1.00 12.53 H new ATOM 0 HA LEU A 66 -4.470 9.231 -3.013 1.00 65.44 H new ATOM 0 HB2 LEU A 66 -1.875 8.940 -1.453 1.00 73.45 H new ATOM 0 HB3 LEU A 66 -3.077 10.185 -1.177 1.00 73.45 H new ATOM 0 HG LEU A 66 -3.461 7.197 -0.790 1.00 11.24 H new ATOM 0 HD11 LEU A 66 -3.695 7.788 1.596 1.00 24.43 H new ATOM 0 HD12 LEU A 66 -2.097 8.238 0.954 1.00 24.43 H new ATOM 0 HD13 LEU A 66 -3.340 9.487 1.203 1.00 24.43 H new ATOM 0 HD21 LEU A 66 -5.679 7.777 0.130 1.00 45.35 H new ATOM 0 HD22 LEU A 66 -5.419 9.476 -0.332 1.00 45.35 H new ATOM 0 HD23 LEU A 66 -5.536 8.221 -1.588 1.00 45.35 H new ATOM 1045 N LYS A 67 -3.315 11.231 -4.013 1.00 51.52 N ATOM 1046 CA LYS A 67 -2.762 12.293 -4.860 1.00 15.11 C ATOM 1047 C LYS A 67 -2.666 13.622 -4.098 1.00 0.22 C ATOM 1048 O LYS A 67 -3.306 13.810 -3.062 1.00 40.33 O ATOM 1049 CB LYS A 67 -3.618 12.451 -6.127 1.00 13.44 C ATOM 1050 CG LYS A 67 -5.077 12.810 -5.853 1.00 13.30 C ATOM 1051 CD LYS A 67 -5.929 12.706 -7.116 1.00 23.11 C ATOM 1052 CE LYS A 67 -7.377 13.110 -6.861 1.00 13.15 C ATOM 1053 NZ LYS A 67 -7.508 14.554 -6.529 1.00 74.23 N ATOM 0 H LYS A 67 -4.216 11.457 -3.591 1.00 51.52 H new ATOM 0 HA LYS A 67 -1.750 12.009 -5.150 1.00 15.11 H new ATOM 0 HB2 LYS A 67 -3.177 13.224 -6.756 1.00 13.44 H new ATOM 0 HB3 LYS A 67 -3.584 11.521 -6.694 1.00 13.44 H new ATOM 0 HG2 LYS A 67 -5.478 12.146 -5.087 1.00 13.30 H new ATOM 0 HG3 LYS A 67 -5.135 13.824 -5.457 1.00 13.30 H new ATOM 0 HD2 LYS A 67 -5.506 13.343 -7.893 1.00 23.11 H new ATOM 0 HD3 LYS A 67 -5.898 11.683 -7.491 1.00 23.11 H new ATOM 0 HE2 LYS A 67 -7.976 12.886 -7.744 1.00 13.15 H new ATOM 0 HE3 LYS A 67 -7.780 12.513 -6.043 1.00 13.15 H new ATOM 0 HZ1 LYS A 67 -8.514 14.817 -6.514 1.00 74.23 H new ATOM 0 HZ2 LYS A 67 -7.089 14.735 -5.595 1.00 74.23 H new ATOM 0 HZ3 LYS A 67 -7.013 15.121 -7.246 1.00 74.23 H new ATOM 1067 N GLY A 68 -1.855 14.538 -4.613 1.00 45.34 N ATOM 1068 CA GLY A 68 -1.628 15.807 -3.937 1.00 23.32 C ATOM 1069 C GLY A 68 -0.667 15.678 -2.760 1.00 71.12 C ATOM 1070 O GLY A 68 0.332 14.961 -2.842 1.00 73.44 O ATOM 0 H GLY A 68 -1.347 14.426 -5.491 1.00 45.34 H new ATOM 0 HA2 GLY A 68 -1.229 16.529 -4.650 1.00 23.32 H new ATOM 0 HA3 GLY A 68 -2.580 16.202 -3.583 1.00 23.32 H new ATOM 1074 N ARG A 69 -0.973 16.358 -1.659 1.00 61.12 N ATOM 1075 CA ARG A 69 -0.131 16.314 -0.455 1.00 15.24 C ATOM 1076 C ARG A 69 -0.033 14.888 0.113 1.00 72.12 C ATOM 1077 O ARG A 69 1.023 14.456 0.577 1.00 41.05 O ATOM 1078 CB ARG A 69 -0.698 17.258 0.612 1.00 54.01 C ATOM 1079 CG ARG A 69 -0.883 18.693 0.128 1.00 63.21 C ATOM 1080 CD ARG A 69 -1.501 19.577 1.206 1.00 71.52 C ATOM 1081 NE ARG A 69 -2.778 19.046 1.681 1.00 20.51 N ATOM 1082 CZ ARG A 69 -3.308 19.335 2.838 1.00 63.40 C ATOM 1083 NH1 ARG A 69 -2.732 20.169 3.639 1.00 11.10 N ATOM 1084 NH2 ARG A 69 -4.418 18.783 3.192 1.00 30.22 N ATOM 0 H ARG A 69 -1.799 16.949 -1.570 1.00 61.12 H new ATOM 0 HA ARG A 69 0.872 16.635 -0.736 1.00 15.24 H new ATOM 0 HB2 ARG A 69 -1.659 16.872 0.952 1.00 54.01 H new ATOM 0 HB3 ARG A 69 -0.032 17.258 1.475 1.00 54.01 H new ATOM 0 HG2 ARG A 69 0.082 19.104 -0.170 1.00 63.21 H new ATOM 0 HG3 ARG A 69 -1.520 18.699 -0.757 1.00 63.21 H new ATOM 0 HD2 ARG A 69 -0.810 19.664 2.044 1.00 71.52 H new ATOM 0 HD3 ARG A 69 -1.650 20.582 0.810 1.00 71.52 H new ATOM 0 HE ARG A 69 -3.287 18.409 1.069 1.00 20.51 H new ATOM 0 HH11 ARG A 69 -1.853 20.610 3.370 1.00 11.10 H new ATOM 0 HH12 ARG A 69 -3.157 20.386 4.541 1.00 11.10 H new ATOM 0 HH21 ARG A 69 -4.880 18.122 2.568 1.00 30.22 H new ATOM 0 HH22 ARG A 69 -4.834 19.008 4.096 1.00 30.22 H new ATOM 1098 N ASP A 70 -1.145 14.159 0.060 1.00 63.12 N ATOM 1099 CA ASP A 70 -1.200 12.781 0.556 1.00 11.21 C ATOM 1100 C ASP A 70 -0.233 11.859 -0.218 1.00 21.15 C ATOM 1101 O ASP A 70 0.245 10.856 0.316 1.00 2.34 O ATOM 1102 CB ASP A 70 -2.636 12.255 0.453 1.00 73.13 C ATOM 1103 CG ASP A 70 -3.632 13.167 1.152 1.00 15.41 C ATOM 1104 OD1 ASP A 70 -4.001 14.208 0.568 1.00 53.21 O ATOM 1105 OD2 ASP A 70 -4.048 12.858 2.288 1.00 42.13 O ATOM 0 H ASP A 70 -2.027 14.500 -0.323 1.00 63.12 H new ATOM 0 HA ASP A 70 -0.886 12.781 1.600 1.00 11.21 H new ATOM 0 HB2 ASP A 70 -2.911 12.156 -0.597 1.00 73.13 H new ATOM 0 HB3 ASP A 70 -2.689 11.258 0.891 1.00 73.13 H new ATOM 1110 N LEU A 71 0.058 12.218 -1.471 1.00 42.23 N ATOM 1111 CA LEU A 71 0.966 11.435 -2.319 1.00 43.23 C ATOM 1112 C LEU A 71 2.400 11.456 -1.762 1.00 31.14 C ATOM 1113 O LEU A 71 2.955 10.410 -1.414 1.00 43.43 O ATOM 1114 CB LEU A 71 0.925 11.972 -3.765 1.00 63.05 C ATOM 1115 CG LEU A 71 1.662 11.130 -4.835 1.00 33.03 C ATOM 1116 CD1 LEU A 71 1.123 11.446 -6.228 1.00 14.23 C ATOM 1117 CD2 LEU A 71 3.173 11.370 -4.795 1.00 10.43 C ATOM 0 H LEU A 71 -0.323 13.049 -1.924 1.00 42.23 H new ATOM 0 HA LEU A 71 0.633 10.397 -2.322 1.00 43.23 H new ATOM 0 HB2 LEU A 71 -0.119 12.067 -4.064 1.00 63.05 H new ATOM 0 HB3 LEU A 71 1.350 12.976 -3.768 1.00 63.05 H new ATOM 0 HG LEU A 71 1.479 10.080 -4.609 1.00 33.03 H new ATOM 0 HD11 LEU A 71 1.652 10.845 -6.968 1.00 14.23 H new ATOM 0 HD12 LEU A 71 0.058 11.215 -6.267 1.00 14.23 H new ATOM 0 HD13 LEU A 71 1.273 12.504 -6.445 1.00 14.23 H new ATOM 0 HD21 LEU A 71 3.658 10.763 -5.559 1.00 10.43 H new ATOM 0 HD22 LEU A 71 3.379 12.424 -4.983 1.00 10.43 H new ATOM 0 HD23 LEU A 71 3.559 11.095 -3.814 1.00 10.43 H new ATOM 1129 N ASP A 72 2.999 12.647 -1.676 1.00 14.01 N ATOM 1130 CA ASP A 72 4.371 12.770 -1.169 1.00 55.42 C ATOM 1131 C ASP A 72 4.464 12.356 0.308 1.00 42.42 C ATOM 1132 O ASP A 72 5.525 11.949 0.783 1.00 64.21 O ATOM 1133 CB ASP A 72 4.912 14.192 -1.380 1.00 15.01 C ATOM 1134 CG ASP A 72 4.042 15.266 -0.754 1.00 62.52 C ATOM 1135 OD1 ASP A 72 4.191 15.530 0.456 1.00 13.14 O ATOM 1136 OD2 ASP A 72 3.225 15.873 -1.480 1.00 1.51 O ATOM 0 H ASP A 72 2.564 13.529 -1.946 1.00 14.01 H new ATOM 0 HA ASP A 72 4.996 12.085 -1.742 1.00 55.42 H new ATOM 0 HB2 ASP A 72 5.916 14.257 -0.960 1.00 15.01 H new ATOM 0 HB3 ASP A 72 5.001 14.384 -2.449 1.00 15.01 H new ATOM 1141 N ARG A 73 3.344 12.450 1.021 1.00 30.20 N ATOM 1142 CA ARG A 73 3.261 11.955 2.398 1.00 44.41 C ATOM 1143 C ARG A 73 3.542 10.443 2.450 1.00 0.22 C ATOM 1144 O ARG A 73 4.392 9.981 3.216 1.00 51.13 O ATOM 1145 CB ARG A 73 1.875 12.248 2.982 1.00 22.22 C ATOM 1146 CG ARG A 73 1.751 11.937 4.470 1.00 22.53 C ATOM 1147 CD ARG A 73 0.337 12.195 4.973 1.00 2.53 C ATOM 1148 NE ARG A 73 -0.115 13.545 4.634 1.00 63.03 N ATOM 1149 CZ ARG A 73 -1.322 13.836 4.242 1.00 11.22 C ATOM 1150 NH1 ARG A 73 -2.229 12.918 4.182 1.00 63.21 N ATOM 1151 NH2 ARG A 73 -1.624 15.050 3.918 1.00 72.00 N ATOM 0 H ARG A 73 2.480 12.864 0.670 1.00 30.20 H new ATOM 0 HA ARG A 73 4.016 12.470 2.993 1.00 44.41 H new ATOM 0 HB2 ARG A 73 1.639 13.300 2.820 1.00 22.22 H new ATOM 0 HB3 ARG A 73 1.132 11.667 2.436 1.00 22.22 H new ATOM 0 HG2 ARG A 73 2.019 10.896 4.650 1.00 22.53 H new ATOM 0 HG3 ARG A 73 2.457 12.549 5.032 1.00 22.53 H new ATOM 0 HD2 ARG A 73 -0.344 11.463 4.539 1.00 2.53 H new ATOM 0 HD3 ARG A 73 0.304 12.060 6.054 1.00 2.53 H new ATOM 0 HE ARG A 73 0.559 14.307 4.710 1.00 63.03 H new ATOM 0 HH11 ARG A 73 -2.001 11.958 4.443 1.00 63.21 H new ATOM 0 HH12 ARG A 73 -3.173 13.153 3.874 1.00 63.21 H new ATOM 0 HH21 ARG A 73 -0.916 15.783 3.969 1.00 72.00 H new ATOM 0 HH22 ARG A 73 -2.570 15.276 3.611 1.00 72.00 H new ATOM 1165 N GLN A 74 2.820 9.678 1.628 1.00 63.41 N ATOM 1166 CA GLN A 74 3.035 8.229 1.526 1.00 13.13 C ATOM 1167 C GLN A 74 4.451 7.928 1.010 1.00 12.22 C ATOM 1168 O GLN A 74 5.111 6.990 1.463 1.00 24.41 O ATOM 1169 CB GLN A 74 1.986 7.592 0.598 1.00 64.42 C ATOM 1170 CG GLN A 74 2.062 6.069 0.547 1.00 51.45 C ATOM 1171 CD GLN A 74 0.949 5.432 -0.271 1.00 1.13 C ATOM 1172 OE1 GLN A 74 -0.144 5.970 -0.388 1.00 72.04 O ATOM 1173 NE2 GLN A 74 1.211 4.260 -0.821 1.00 0.10 N ATOM 0 H GLN A 74 2.081 10.036 1.023 1.00 63.41 H new ATOM 0 HA GLN A 74 2.928 7.798 2.521 1.00 13.13 H new ATOM 0 HB2 GLN A 74 0.991 7.887 0.931 1.00 64.42 H new ATOM 0 HB3 GLN A 74 2.115 7.988 -0.409 1.00 64.42 H new ATOM 0 HG2 GLN A 74 3.024 5.775 0.127 1.00 51.45 H new ATOM 0 HG3 GLN A 74 2.025 5.677 1.563 1.00 51.45 H new ATOM 0 HE21 GLN A 74 2.132 3.837 -0.706 1.00 0.10 H new ATOM 0 HE22 GLN A 74 0.492 3.778 -1.361 1.00 0.10 H new ATOM 1182 N LYS A 75 4.902 8.743 0.059 1.00 22.43 N ATOM 1183 CA LYS A 75 6.270 8.673 -0.467 1.00 44.23 C ATOM 1184 C LYS A 75 7.318 8.712 0.662 1.00 73.31 C ATOM 1185 O LYS A 75 8.138 7.802 0.791 1.00 22.42 O ATOM 1186 CB LYS A 75 6.488 9.834 -1.453 1.00 71.22 C ATOM 1187 CG LYS A 75 7.948 10.158 -1.758 1.00 41.43 C ATOM 1188 CD LYS A 75 8.065 11.286 -2.782 1.00 50.12 C ATOM 1189 CE LYS A 75 9.500 11.779 -2.937 1.00 14.33 C ATOM 1190 NZ LYS A 75 10.417 10.713 -3.413 1.00 1.14 N ATOM 0 H LYS A 75 4.332 9.472 -0.371 1.00 22.43 H new ATOM 0 HA LYS A 75 6.397 7.722 -0.984 1.00 44.23 H new ATOM 0 HB2 LYS A 75 5.982 9.596 -2.388 1.00 71.22 H new ATOM 0 HB3 LYS A 75 6.010 10.727 -1.050 1.00 71.22 H new ATOM 0 HG2 LYS A 75 8.459 10.444 -0.839 1.00 41.43 H new ATOM 0 HG3 LYS A 75 8.449 9.267 -2.137 1.00 41.43 H new ATOM 0 HD2 LYS A 75 7.696 10.938 -3.747 1.00 50.12 H new ATOM 0 HD3 LYS A 75 7.428 12.117 -2.479 1.00 50.12 H new ATOM 0 HE2 LYS A 75 9.521 12.613 -3.639 1.00 14.33 H new ATOM 0 HE3 LYS A 75 9.856 12.160 -1.980 1.00 14.33 H new ATOM 0 HZ1 LYS A 75 11.063 10.442 -2.644 1.00 1.14 H new ATOM 0 HZ2 LYS A 75 9.862 9.884 -3.707 1.00 1.14 H new ATOM 0 HZ3 LYS A 75 10.969 11.065 -4.221 1.00 1.14 H new ATOM 1204 N GLN A 76 7.268 9.757 1.486 1.00 55.21 N ATOM 1205 CA GLN A 76 8.227 9.930 2.588 1.00 44.15 C ATOM 1206 C GLN A 76 8.142 8.785 3.609 1.00 62.33 C ATOM 1207 O GLN A 76 9.156 8.372 4.178 1.00 73.02 O ATOM 1208 CB GLN A 76 7.997 11.281 3.281 1.00 4.12 C ATOM 1209 CG GLN A 76 8.261 12.485 2.378 1.00 4.11 C ATOM 1210 CD GLN A 76 9.737 12.677 2.039 1.00 32.35 C ATOM 1211 OE1 GLN A 76 10.513 11.732 1.986 1.00 21.45 O ATOM 1212 NE2 GLN A 76 10.134 13.911 1.807 1.00 21.01 N ATOM 0 H GLN A 76 6.574 10.501 1.415 1.00 55.21 H new ATOM 0 HA GLN A 76 9.229 9.910 2.159 1.00 44.15 H new ATOM 0 HB2 GLN A 76 6.969 11.325 3.640 1.00 4.12 H new ATOM 0 HB3 GLN A 76 8.643 11.345 4.156 1.00 4.12 H new ATOM 0 HG2 GLN A 76 7.696 12.367 1.453 1.00 4.11 H new ATOM 0 HG3 GLN A 76 7.888 13.385 2.867 1.00 4.11 H new ATOM 0 HE21 GLN A 76 9.466 14.680 1.858 1.00 21.01 H new ATOM 0 HE22 GLN A 76 11.110 14.098 1.576 1.00 21.01 H new ATOM 1221 N LYS A 77 6.932 8.280 3.847 1.00 54.43 N ATOM 1222 CA LYS A 77 6.740 7.122 4.732 1.00 64.34 C ATOM 1223 C LYS A 77 7.510 5.894 4.217 1.00 11.34 C ATOM 1224 O LYS A 77 8.188 5.205 4.979 1.00 13.32 O ATOM 1225 CB LYS A 77 5.247 6.785 4.853 1.00 75.14 C ATOM 1226 CG LYS A 77 4.421 7.833 5.596 1.00 62.35 C ATOM 1227 CD LYS A 77 4.803 7.923 7.072 1.00 75.33 C ATOM 1228 CE LYS A 77 3.949 8.946 7.814 1.00 14.21 C ATOM 1229 NZ LYS A 77 4.286 9.005 9.263 1.00 63.23 N ATOM 0 H LYS A 77 6.071 8.649 3.444 1.00 54.43 H new ATOM 0 HA LYS A 77 7.131 7.386 5.715 1.00 64.34 H new ATOM 0 HB2 LYS A 77 4.834 6.657 3.852 1.00 75.14 H new ATOM 0 HB3 LYS A 77 5.143 5.829 5.365 1.00 75.14 H new ATOM 0 HG2 LYS A 77 4.562 8.806 5.125 1.00 62.35 H new ATOM 0 HG3 LYS A 77 3.362 7.588 5.510 1.00 62.35 H new ATOM 0 HD2 LYS A 77 4.686 6.945 7.538 1.00 75.33 H new ATOM 0 HD3 LYS A 77 5.855 8.195 7.160 1.00 75.33 H new ATOM 0 HE2 LYS A 77 4.092 9.930 7.368 1.00 14.21 H new ATOM 0 HE3 LYS A 77 2.895 8.693 7.696 1.00 14.21 H new ATOM 0 HZ1 LYS A 77 3.684 9.712 9.731 1.00 63.23 H new ATOM 0 HZ2 LYS A 77 4.125 8.073 9.695 1.00 63.23 H new ATOM 0 HZ3 LYS A 77 5.285 9.272 9.377 1.00 63.23 H new ATOM 1243 N LEU A 78 7.406 5.641 2.916 1.00 71.42 N ATOM 1244 CA LEU A 78 8.072 4.497 2.284 1.00 5.52 C ATOM 1245 C LEU A 78 9.594 4.690 2.192 1.00 43.12 C ATOM 1246 O LEU A 78 10.369 3.782 2.502 1.00 73.24 O ATOM 1247 CB LEU A 78 7.489 4.274 0.885 1.00 11.42 C ATOM 1248 CG LEU A 78 6.032 3.787 0.862 1.00 51.04 C ATOM 1249 CD1 LEU A 78 5.456 3.859 -0.546 1.00 4.31 C ATOM 1250 CD2 LEU A 78 5.940 2.365 1.409 1.00 32.32 C ATOM 0 H LEU A 78 6.863 6.215 2.271 1.00 71.42 H new ATOM 0 HA LEU A 78 7.893 3.622 2.909 1.00 5.52 H new ATOM 0 HB2 LEU A 78 7.553 5.208 0.327 1.00 11.42 H new ATOM 0 HB3 LEU A 78 8.108 3.546 0.361 1.00 11.42 H new ATOM 0 HG LEU A 78 5.441 4.444 1.500 1.00 51.04 H new ATOM 0 HD11 LEU A 78 4.424 3.509 -0.535 1.00 4.31 H new ATOM 0 HD12 LEU A 78 5.486 4.890 -0.899 1.00 4.31 H new ATOM 0 HD13 LEU A 78 6.046 3.230 -1.213 1.00 4.31 H new ATOM 0 HD21 LEU A 78 4.902 2.033 1.387 1.00 32.32 H new ATOM 0 HD22 LEU A 78 6.547 1.699 0.796 1.00 32.32 H new ATOM 0 HD23 LEU A 78 6.305 2.346 2.436 1.00 32.32 H new ATOM 1262 N GLU A 79 10.024 5.872 1.766 1.00 5.24 N ATOM 1263 CA GLU A 79 11.453 6.149 1.602 1.00 24.51 C ATOM 1264 C GLU A 79 12.180 6.207 2.951 1.00 23.33 C ATOM 1265 O GLU A 79 13.378 5.938 3.026 1.00 4.35 O ATOM 1266 CB GLU A 79 11.663 7.442 0.811 1.00 61.32 C ATOM 1267 CG GLU A 79 11.021 7.404 -0.571 1.00 44.03 C ATOM 1268 CD GLU A 79 11.431 8.567 -1.451 1.00 1.25 C ATOM 1269 OE1 GLU A 79 11.252 9.727 -1.034 1.00 71.14 O ATOM 1270 OE2 GLU A 79 11.909 8.331 -2.583 1.00 2.12 O ATOM 0 H GLU A 79 9.411 6.652 1.528 1.00 5.24 H new ATOM 0 HA GLU A 79 11.886 5.324 1.037 1.00 24.51 H new ATOM 0 HB2 GLU A 79 11.250 8.278 1.375 1.00 61.32 H new ATOM 0 HB3 GLU A 79 12.732 7.627 0.704 1.00 61.32 H new ATOM 0 HG2 GLU A 79 11.291 6.470 -1.065 1.00 44.03 H new ATOM 0 HG3 GLU A 79 9.937 7.404 -0.461 1.00 44.03 H new ATOM 1277 N ALA A 80 11.454 6.546 4.018 1.00 13.44 N ATOM 1278 CA ALA A 80 12.006 6.481 5.379 1.00 25.42 C ATOM 1279 C ALA A 80 12.333 5.029 5.772 1.00 52.31 C ATOM 1280 O ALA A 80 13.166 4.773 6.647 1.00 13.32 O ATOM 1281 CB ALA A 80 11.031 7.091 6.378 1.00 33.35 C ATOM 0 H ALA A 80 10.487 6.867 3.970 1.00 13.44 H new ATOM 0 HA ALA A 80 12.932 7.056 5.396 1.00 25.42 H new ATOM 0 HB1 ALA A 80 11.455 7.035 7.381 1.00 33.35 H new ATOM 0 HB2 ALA A 80 10.849 8.134 6.119 1.00 33.35 H new ATOM 0 HB3 ALA A 80 10.090 6.541 6.350 1.00 33.35 H new ATOM 1287 N GLU A 81 11.659 4.086 5.117 1.00 60.01 N ATOM 1288 CA GLU A 81 11.898 2.655 5.325 1.00 32.33 C ATOM 1289 C GLU A 81 13.025 2.132 4.410 1.00 70.22 C ATOM 1290 O GLU A 81 13.501 1.009 4.580 1.00 63.03 O ATOM 1291 CB GLU A 81 10.602 1.873 5.061 1.00 22.22 C ATOM 1292 CG GLU A 81 9.443 2.256 5.983 1.00 11.11 C ATOM 1293 CD GLU A 81 9.592 1.707 7.397 1.00 71.34 C ATOM 1294 OE1 GLU A 81 10.341 2.302 8.200 1.00 53.13 O ATOM 1295 OE2 GLU A 81 8.958 0.677 7.711 1.00 32.11 O ATOM 0 H GLU A 81 10.934 4.289 4.429 1.00 60.01 H new ATOM 0 HA GLU A 81 12.213 2.509 6.358 1.00 32.33 H new ATOM 0 HB2 GLU A 81 10.298 2.033 4.027 1.00 22.22 H new ATOM 0 HB3 GLU A 81 10.804 0.808 5.172 1.00 22.22 H new ATOM 0 HG2 GLU A 81 9.367 3.342 6.028 1.00 11.11 H new ATOM 0 HG3 GLU A 81 8.510 1.889 5.555 1.00 11.11 H new ATOM 1302 N GLY A 82 13.444 2.955 3.442 1.00 21.51 N ATOM 1303 CA GLY A 82 14.521 2.567 2.523 1.00 4.15 C ATOM 1304 C GLY A 82 14.047 2.268 1.098 1.00 41.43 C ATOM 1305 O GLY A 82 14.750 1.612 0.326 1.00 54.01 O ATOM 0 H GLY A 82 13.059 3.885 3.275 1.00 21.51 H new ATOM 0 HA2 GLY A 82 15.261 3.367 2.488 1.00 4.15 H new ATOM 0 HA3 GLY A 82 15.023 1.685 2.920 1.00 4.15 H new ATOM 1309 N ILE A 83 12.860 2.751 0.739 1.00 62.25 N ATOM 1310 CA ILE A 83 12.292 2.514 -0.599 1.00 0.42 C ATOM 1311 C ILE A 83 12.495 3.735 -1.525 1.00 53.03 C ATOM 1312 O ILE A 83 12.738 4.846 -1.056 1.00 4.45 O ATOM 1313 CB ILE A 83 10.780 2.174 -0.482 1.00 61.02 C ATOM 1314 CG1 ILE A 83 10.583 0.996 0.491 1.00 10.43 C ATOM 1315 CG2 ILE A 83 10.170 1.852 -1.851 1.00 21.40 C ATOM 1316 CD1 ILE A 83 9.134 0.632 0.733 1.00 22.33 C ATOM 0 H ILE A 83 12.267 3.310 1.352 1.00 62.25 H new ATOM 0 HA ILE A 83 12.818 1.669 -1.043 1.00 0.42 H new ATOM 0 HB ILE A 83 10.262 3.050 -0.092 1.00 61.02 H new ATOM 0 HG12 ILE A 83 11.105 0.123 0.099 1.00 10.43 H new ATOM 0 HG13 ILE A 83 11.049 1.244 1.445 1.00 10.43 H new ATOM 0 HG21 ILE A 83 9.112 1.619 -1.732 1.00 21.40 H new ATOM 0 HG22 ILE A 83 10.280 2.713 -2.510 1.00 21.40 H new ATOM 0 HG23 ILE A 83 10.684 0.995 -2.286 1.00 21.40 H new ATOM 0 HD11 ILE A 83 9.081 -0.206 1.428 1.00 22.33 H new ATOM 0 HD12 ILE A 83 8.609 1.489 1.156 1.00 22.33 H new ATOM 0 HD13 ILE A 83 8.667 0.350 -0.211 1.00 22.33 H new ATOM 1328 N GLU A 84 12.426 3.517 -2.843 1.00 13.32 N ATOM 1329 CA GLU A 84 12.541 4.608 -3.827 1.00 25.05 C ATOM 1330 C GLU A 84 11.173 4.944 -4.438 1.00 1.40 C ATOM 1331 O GLU A 84 10.559 4.100 -5.097 1.00 21.14 O ATOM 1332 CB GLU A 84 13.498 4.216 -4.962 1.00 53.23 C ATOM 1333 CG GLU A 84 14.903 3.842 -4.515 1.00 15.32 C ATOM 1334 CD GLU A 84 15.742 3.318 -5.672 1.00 71.21 C ATOM 1335 OE1 GLU A 84 15.502 2.172 -6.108 1.00 64.31 O ATOM 1336 OE2 GLU A 84 16.628 4.050 -6.163 1.00 71.42 O ATOM 0 H GLU A 84 12.291 2.595 -3.257 1.00 13.32 H new ATOM 0 HA GLU A 84 12.929 5.480 -3.300 1.00 25.05 H new ATOM 0 HB2 GLU A 84 13.069 3.374 -5.505 1.00 53.23 H new ATOM 0 HB3 GLU A 84 13.565 5.047 -5.664 1.00 53.23 H new ATOM 0 HG2 GLU A 84 15.390 4.714 -4.078 1.00 15.32 H new ATOM 0 HG3 GLU A 84 14.847 3.084 -3.734 1.00 15.32 H new ATOM 1343 N VAL A 85 10.699 6.170 -4.230 1.00 55.05 N ATOM 1344 CA VAL A 85 9.420 6.612 -4.799 1.00 45.42 C ATOM 1345 C VAL A 85 9.608 7.822 -5.728 1.00 33.14 C ATOM 1346 O VAL A 85 9.978 8.909 -5.281 1.00 52.00 O ATOM 1347 CB VAL A 85 8.406 6.997 -3.692 1.00 44.00 C ATOM 1348 CG1 VAL A 85 7.040 7.332 -4.294 1.00 43.34 C ATOM 1349 CG2 VAL A 85 8.289 5.890 -2.645 1.00 30.11 C ATOM 0 H VAL A 85 11.178 6.877 -3.673 1.00 55.05 H new ATOM 0 HA VAL A 85 9.031 5.769 -5.370 1.00 45.42 H new ATOM 0 HB VAL A 85 8.779 7.890 -3.191 1.00 44.00 H new ATOM 0 HG11 VAL A 85 6.346 7.599 -3.497 1.00 43.34 H new ATOM 0 HG12 VAL A 85 7.142 8.171 -4.982 1.00 43.34 H new ATOM 0 HG13 VAL A 85 6.657 6.465 -4.833 1.00 43.34 H new ATOM 0 HG21 VAL A 85 7.571 6.187 -1.880 1.00 30.11 H new ATOM 0 HG22 VAL A 85 7.951 4.971 -3.123 1.00 30.11 H new ATOM 0 HG23 VAL A 85 9.262 5.722 -2.183 1.00 30.11 H new ATOM 1359 N SER A 86 9.345 7.634 -7.021 1.00 43.24 N ATOM 1360 CA SER A 86 9.413 8.736 -7.991 1.00 4.32 C ATOM 1361 C SER A 86 8.376 9.817 -7.655 1.00 53.01 C ATOM 1362 O SER A 86 7.256 9.501 -7.248 1.00 14.45 O ATOM 1363 CB SER A 86 9.194 8.215 -9.419 1.00 24.52 C ATOM 1364 OG SER A 86 10.202 7.282 -9.787 1.00 44.34 O ATOM 0 H SER A 86 9.084 6.734 -7.424 1.00 43.24 H new ATOM 0 HA SER A 86 10.407 9.179 -7.932 1.00 4.32 H new ATOM 0 HB2 SER A 86 8.214 7.743 -9.490 1.00 24.52 H new ATOM 0 HB3 SER A 86 9.196 9.051 -10.118 1.00 24.52 H new ATOM 0 HG SER A 86 10.037 6.965 -10.700 1.00 44.34 H new ATOM 1370 N GLU A 87 8.764 11.083 -7.844 1.00 23.33 N ATOM 1371 CA GLU A 87 7.960 12.253 -7.433 1.00 64.41 C ATOM 1372 C GLU A 87 6.478 12.159 -7.844 1.00 34.54 C ATOM 1373 O GLU A 87 5.589 12.490 -7.058 1.00 33.12 O ATOM 1374 CB GLU A 87 8.575 13.537 -8.013 1.00 4.51 C ATOM 1375 CG GLU A 87 8.710 13.525 -9.534 1.00 51.00 C ATOM 1376 CD GLU A 87 9.315 14.808 -10.081 1.00 3.31 C ATOM 1377 OE1 GLU A 87 10.555 14.955 -10.036 1.00 23.24 O ATOM 1378 OE2 GLU A 87 8.555 15.672 -10.565 1.00 50.31 O ATOM 0 H GLU A 87 9.648 11.332 -8.288 1.00 23.33 H new ATOM 0 HA GLU A 87 7.981 12.274 -6.343 1.00 64.41 H new ATOM 0 HB2 GLU A 87 7.960 14.388 -7.719 1.00 4.51 H new ATOM 0 HB3 GLU A 87 9.560 13.688 -7.572 1.00 4.51 H new ATOM 0 HG2 GLU A 87 9.330 12.680 -9.833 1.00 51.00 H new ATOM 0 HG3 GLU A 87 7.727 13.373 -9.980 1.00 51.00 H new ATOM 1385 N ILE A 88 6.213 11.696 -9.065 1.00 30.01 N ATOM 1386 CA ILE A 88 4.835 11.597 -9.572 1.00 75.40 C ATOM 1387 C ILE A 88 4.057 10.420 -8.946 1.00 71.31 C ATOM 1388 O ILE A 88 2.937 10.111 -9.357 1.00 65.30 O ATOM 1389 CB ILE A 88 4.804 11.522 -11.129 1.00 22.33 C ATOM 1390 CG1 ILE A 88 5.763 10.440 -11.677 1.00 64.31 C ATOM 1391 CG2 ILE A 88 5.146 12.887 -11.729 1.00 51.31 C ATOM 1392 CD1 ILE A 88 5.254 9.021 -11.542 1.00 55.12 C ATOM 0 H ILE A 88 6.927 11.384 -9.723 1.00 30.01 H new ATOM 0 HA ILE A 88 4.327 12.512 -9.266 1.00 75.40 H new ATOM 0 HB ILE A 88 3.793 11.240 -11.424 1.00 22.33 H new ATOM 0 HG12 ILE A 88 5.956 10.644 -12.730 1.00 64.31 H new ATOM 0 HG13 ILE A 88 6.717 10.521 -11.156 1.00 64.31 H new ATOM 0 HG21 ILE A 88 5.121 12.823 -12.817 1.00 51.31 H new ATOM 0 HG22 ILE A 88 4.418 13.625 -11.392 1.00 51.31 H new ATOM 0 HG23 ILE A 88 6.143 13.187 -11.406 1.00 51.31 H new ATOM 0 HD11 ILE A 88 5.990 8.330 -11.952 1.00 55.12 H new ATOM 0 HD12 ILE A 88 5.088 8.792 -10.489 1.00 55.12 H new ATOM 0 HD13 ILE A 88 4.316 8.917 -12.088 1.00 55.12 H new ATOM 1404 N GLY A 89 4.654 9.788 -7.937 1.00 51.31 N ATOM 1405 CA GLY A 89 3.999 8.707 -7.212 1.00 13.24 C ATOM 1406 C GLY A 89 4.157 7.343 -7.872 1.00 44.51 C ATOM 1407 O GLY A 89 3.175 6.632 -8.076 1.00 51.11 O ATOM 0 H GLY A 89 5.593 10.009 -7.604 1.00 51.31 H new ATOM 0 HA2 GLY A 89 4.405 8.661 -6.201 1.00 13.24 H new ATOM 0 HA3 GLY A 89 2.937 8.935 -7.119 1.00 13.24 H new ATOM 1411 N LYS A 90 5.395 6.961 -8.191 1.00 3.14 N ATOM 1412 CA LYS A 90 5.658 5.663 -8.836 1.00 52.03 C ATOM 1413 C LYS A 90 6.750 4.873 -8.096 1.00 13.21 C ATOM 1414 O LYS A 90 7.773 5.427 -7.690 1.00 30.11 O ATOM 1415 CB LYS A 90 6.039 5.872 -10.316 1.00 43.42 C ATOM 1416 CG LYS A 90 6.102 4.587 -11.156 1.00 13.42 C ATOM 1417 CD LYS A 90 7.462 3.891 -11.072 1.00 11.10 C ATOM 1418 CE LYS A 90 7.464 2.558 -11.816 1.00 43.23 C ATOM 1419 NZ LYS A 90 8.804 1.913 -11.791 1.00 3.24 N ATOM 0 H LYS A 90 6.228 7.523 -8.017 1.00 3.14 H new ATOM 0 HA LYS A 90 4.743 5.072 -8.789 1.00 52.03 H new ATOM 0 HB2 LYS A 90 5.316 6.550 -10.770 1.00 43.42 H new ATOM 0 HB3 LYS A 90 7.010 6.365 -10.360 1.00 43.42 H new ATOM 0 HG2 LYS A 90 5.326 3.900 -10.820 1.00 13.42 H new ATOM 0 HG3 LYS A 90 5.886 4.828 -12.197 1.00 13.42 H new ATOM 0 HD2 LYS A 90 8.230 4.542 -11.490 1.00 11.10 H new ATOM 0 HD3 LYS A 90 7.721 3.724 -10.026 1.00 11.10 H new ATOM 0 HE2 LYS A 90 6.730 1.889 -11.366 1.00 43.23 H new ATOM 0 HE3 LYS A 90 7.157 2.718 -12.850 1.00 43.23 H new ATOM 0 HZ1 LYS A 90 8.738 0.960 -12.201 1.00 3.24 H new ATOM 0 HZ2 LYS A 90 9.474 2.483 -12.346 1.00 3.24 H new ATOM 0 HZ3 LYS A 90 9.138 1.845 -10.808 1.00 3.24 H new ATOM 1433 N ILE A 91 6.513 3.572 -7.934 1.00 53.01 N ATOM 1434 CA ILE A 91 7.452 2.668 -7.259 1.00 45.33 C ATOM 1435 C ILE A 91 7.753 1.447 -8.147 1.00 43.55 C ATOM 1436 O ILE A 91 6.865 0.939 -8.833 1.00 12.12 O ATOM 1437 CB ILE A 91 6.869 2.179 -5.907 1.00 35.02 C ATOM 1438 CG1 ILE A 91 6.416 3.378 -5.055 1.00 3.25 C ATOM 1439 CG2 ILE A 91 7.894 1.329 -5.149 1.00 70.53 C ATOM 1440 CD1 ILE A 91 5.654 2.989 -3.809 1.00 54.13 C ATOM 0 H ILE A 91 5.665 3.112 -8.266 1.00 53.01 H new ATOM 0 HA ILE A 91 8.373 3.221 -7.073 1.00 45.33 H new ATOM 0 HB ILE A 91 6.000 1.554 -6.112 1.00 35.02 H new ATOM 0 HG12 ILE A 91 7.292 3.959 -4.767 1.00 3.25 H new ATOM 0 HG13 ILE A 91 5.789 4.029 -5.665 1.00 3.25 H new ATOM 0 HG21 ILE A 91 7.464 0.997 -4.204 1.00 70.53 H new ATOM 0 HG22 ILE A 91 8.163 0.461 -5.751 1.00 70.53 H new ATOM 0 HG23 ILE A 91 8.786 1.924 -4.952 1.00 70.53 H new ATOM 0 HD11 ILE A 91 5.369 3.887 -3.262 1.00 54.13 H new ATOM 0 HD12 ILE A 91 4.758 2.435 -4.089 1.00 54.13 H new ATOM 0 HD13 ILE A 91 6.285 2.364 -3.177 1.00 54.13 H new ATOM 1452 N ALA A 92 9.002 0.986 -8.148 1.00 31.43 N ATOM 1453 CA ALA A 92 9.386 -0.181 -8.950 1.00 33.32 C ATOM 1454 C ALA A 92 8.951 -1.494 -8.284 1.00 34.24 C ATOM 1455 O ALA A 92 9.675 -2.049 -7.452 1.00 71.03 O ATOM 1456 CB ALA A 92 10.893 -0.190 -9.195 1.00 14.23 C ATOM 0 H ALA A 92 9.763 1.397 -7.608 1.00 31.43 H new ATOM 0 HA ALA A 92 8.870 -0.104 -9.907 1.00 33.32 H new ATOM 0 HB1 ALA A 92 11.159 -1.063 -9.791 1.00 14.23 H new ATOM 0 HB2 ALA A 92 11.180 0.716 -9.729 1.00 14.23 H new ATOM 0 HB3 ALA A 92 11.417 -0.230 -8.240 1.00 14.23 H new ATOM 1462 N LEU A 93 7.769 -1.991 -8.655 1.00 34.40 N ATOM 1463 CA LEU A 93 7.250 -3.250 -8.107 1.00 20.11 C ATOM 1464 C LEU A 93 8.240 -4.405 -8.312 1.00 65.10 C ATOM 1465 O LEU A 93 8.627 -5.072 -7.361 1.00 14.13 O ATOM 1466 CB LEU A 93 5.898 -3.602 -8.750 1.00 40.10 C ATOM 1467 CG LEU A 93 4.735 -2.662 -8.398 1.00 73.45 C ATOM 1468 CD1 LEU A 93 3.479 -3.040 -9.180 1.00 54.53 C ATOM 1469 CD2 LEU A 93 4.460 -2.685 -6.895 1.00 44.21 C ATOM 0 H LEU A 93 7.152 -1.542 -9.332 1.00 34.40 H new ATOM 0 HA LEU A 93 7.112 -3.107 -7.035 1.00 20.11 H new ATOM 0 HB2 LEU A 93 6.021 -3.610 -9.833 1.00 40.10 H new ATOM 0 HB3 LEU A 93 5.627 -4.615 -8.453 1.00 40.10 H new ATOM 0 HG LEU A 93 5.020 -1.648 -8.679 1.00 73.45 H new ATOM 0 HD11 LEU A 93 2.668 -2.362 -8.916 1.00 54.53 H new ATOM 0 HD12 LEU A 93 3.680 -2.966 -10.249 1.00 54.53 H new ATOM 0 HD13 LEU A 93 3.192 -4.062 -8.935 1.00 54.53 H new ATOM 0 HD21 LEU A 93 3.633 -2.013 -6.666 1.00 44.21 H new ATOM 0 HD22 LEU A 93 4.200 -3.698 -6.588 1.00 44.21 H new ATOM 0 HD23 LEU A 93 5.351 -2.361 -6.357 1.00 44.21 H new ATOM 1481 N ARG A 94 8.673 -4.609 -9.551 1.00 30.02 N ATOM 1482 CA ARG A 94 9.581 -5.715 -9.897 1.00 73.41 C ATOM 1483 C ARG A 94 10.841 -5.780 -8.992 1.00 32.43 C ATOM 1484 O ARG A 94 11.543 -6.792 -8.971 1.00 52.10 O ATOM 1485 CB ARG A 94 9.987 -5.598 -11.378 1.00 45.40 C ATOM 1486 CG ARG A 94 10.874 -6.737 -11.881 1.00 71.24 C ATOM 1487 CD ARG A 94 11.173 -6.610 -13.372 1.00 60.31 C ATOM 1488 NE ARG A 94 12.130 -7.618 -13.825 1.00 11.34 N ATOM 1489 CZ ARG A 94 11.944 -8.409 -14.849 1.00 22.32 C ATOM 1490 NH1 ARG A 94 10.854 -8.352 -15.547 1.00 10.22 N ATOM 1491 NH2 ARG A 94 12.862 -9.256 -15.174 1.00 32.13 N ATOM 0 H ARG A 94 8.412 -4.022 -10.343 1.00 30.02 H new ATOM 0 HA ARG A 94 9.038 -6.645 -9.727 1.00 73.41 H new ATOM 0 HB2 ARG A 94 9.084 -5.560 -11.988 1.00 45.40 H new ATOM 0 HB3 ARG A 94 10.511 -4.654 -11.525 1.00 45.40 H new ATOM 0 HG2 ARG A 94 11.810 -6.742 -11.322 1.00 71.24 H new ATOM 0 HG3 ARG A 94 10.383 -7.691 -11.689 1.00 71.24 H new ATOM 0 HD2 ARG A 94 10.247 -6.709 -13.938 1.00 60.31 H new ATOM 0 HD3 ARG A 94 11.568 -5.616 -13.579 1.00 60.31 H new ATOM 0 HE ARG A 94 13.003 -7.711 -13.306 1.00 11.34 H new ATOM 0 HH11 ARG A 94 10.125 -7.683 -15.300 1.00 10.22 H new ATOM 0 HH12 ARG A 94 10.725 -8.977 -16.343 1.00 10.22 H new ATOM 0 HH21 ARG A 94 13.725 -9.305 -14.633 1.00 32.13 H new ATOM 0 HH22 ARG A 94 12.724 -9.877 -15.972 1.00 32.13 H new ATOM 1505 N LYS A 95 11.134 -4.709 -8.246 1.00 51.14 N ATOM 1506 CA LYS A 95 12.276 -4.715 -7.315 1.00 4.31 C ATOM 1507 C LYS A 95 11.834 -4.642 -5.836 1.00 0.53 C ATOM 1508 O LYS A 95 12.541 -5.121 -4.950 1.00 43.14 O ATOM 1509 CB LYS A 95 13.248 -3.565 -7.632 1.00 22.22 C ATOM 1510 CG LYS A 95 14.509 -3.584 -6.762 1.00 21.54 C ATOM 1511 CD LYS A 95 15.568 -2.585 -7.227 1.00 23.31 C ATOM 1512 CE LYS A 95 15.086 -1.142 -7.144 1.00 42.44 C ATOM 1513 NZ LYS A 95 16.204 -0.179 -7.320 1.00 74.43 N ATOM 0 H LYS A 95 10.606 -3.836 -8.265 1.00 51.14 H new ATOM 0 HA LYS A 95 12.788 -5.667 -7.457 1.00 4.31 H new ATOM 0 HB2 LYS A 95 13.537 -3.621 -8.681 1.00 22.22 H new ATOM 0 HB3 LYS A 95 12.733 -2.614 -7.494 1.00 22.22 H new ATOM 0 HG2 LYS A 95 14.236 -3.362 -5.730 1.00 21.54 H new ATOM 0 HG3 LYS A 95 14.935 -4.587 -6.770 1.00 21.54 H new ATOM 0 HD2 LYS A 95 16.464 -2.701 -6.618 1.00 23.31 H new ATOM 0 HD3 LYS A 95 15.850 -2.812 -8.255 1.00 23.31 H new ATOM 0 HE2 LYS A 95 14.330 -0.966 -7.909 1.00 42.44 H new ATOM 0 HE3 LYS A 95 14.608 -0.973 -6.179 1.00 42.44 H new ATOM 0 HZ1 LYS A 95 15.880 0.778 -7.075 1.00 74.43 H new ATOM 0 HZ2 LYS A 95 16.994 -0.447 -6.699 1.00 74.43 H new ATOM 0 HZ3 LYS A 95 16.522 -0.194 -8.310 1.00 74.43 H new ATOM 1527 N TYR A 96 10.662 -4.057 -5.566 1.00 32.42 N ATOM 1528 CA TYR A 96 10.196 -3.868 -4.179 1.00 43.54 C ATOM 1529 C TYR A 96 8.891 -4.622 -3.894 1.00 15.45 C ATOM 1530 O TYR A 96 8.270 -4.420 -2.854 1.00 4.54 O ATOM 1531 CB TYR A 96 9.995 -2.373 -3.875 1.00 35.21 C ATOM 1532 CG TYR A 96 11.282 -1.575 -3.829 1.00 3.21 C ATOM 1533 CD1 TYR A 96 12.113 -1.624 -2.716 1.00 50.02 C ATOM 1534 CD2 TYR A 96 11.665 -0.772 -4.897 1.00 54.54 C ATOM 1535 CE1 TYR A 96 13.287 -0.900 -2.668 1.00 34.24 C ATOM 1536 CE2 TYR A 96 12.838 -0.045 -4.856 1.00 13.42 C ATOM 1537 CZ TYR A 96 13.646 -0.112 -3.739 1.00 33.13 C ATOM 1538 OH TYR A 96 14.824 0.602 -3.702 1.00 70.22 O ATOM 0 H TYR A 96 10.021 -3.708 -6.278 1.00 32.42 H new ATOM 0 HA TYR A 96 10.971 -4.278 -3.531 1.00 43.54 H new ATOM 0 HB2 TYR A 96 9.340 -1.943 -4.633 1.00 35.21 H new ATOM 0 HB3 TYR A 96 9.483 -2.273 -2.918 1.00 35.21 H new ATOM 0 HD1 TYR A 96 11.835 -2.240 -1.873 1.00 50.02 H new ATOM 0 HD2 TYR A 96 11.035 -0.716 -5.773 1.00 54.54 H new ATOM 0 HE1 TYR A 96 13.921 -0.951 -1.795 1.00 34.24 H new ATOM 0 HE2 TYR A 96 13.122 0.574 -5.694 1.00 13.42 H new ATOM 0 HH TYR A 96 14.959 1.054 -4.561 1.00 70.22 H new ATOM 1548 N LYS A 97 8.490 -5.499 -4.805 1.00 30.20 N ATOM 1549 CA LYS A 97 7.226 -6.225 -4.677 1.00 35.00 C ATOM 1550 C LYS A 97 7.237 -7.177 -3.474 1.00 71.41 C ATOM 1551 O LYS A 97 8.206 -7.907 -3.248 1.00 24.14 O ATOM 1552 CB LYS A 97 6.950 -7.013 -5.962 1.00 72.44 C ATOM 1553 CG LYS A 97 5.555 -7.609 -6.034 1.00 54.33 C ATOM 1554 CD LYS A 97 5.333 -8.358 -7.345 1.00 12.24 C ATOM 1555 CE LYS A 97 3.978 -9.058 -7.373 1.00 34.51 C ATOM 1556 NZ LYS A 97 3.823 -10.025 -6.253 1.00 35.21 N ATOM 0 H LYS A 97 9.022 -5.728 -5.645 1.00 30.20 H new ATOM 0 HA LYS A 97 6.435 -5.493 -4.514 1.00 35.00 H new ATOM 0 HB2 LYS A 97 7.097 -6.355 -6.818 1.00 72.44 H new ATOM 0 HB3 LYS A 97 7.682 -7.816 -6.048 1.00 72.44 H new ATOM 0 HG2 LYS A 97 5.405 -8.289 -5.195 1.00 54.33 H new ATOM 0 HG3 LYS A 97 4.814 -6.816 -5.937 1.00 54.33 H new ATOM 0 HD2 LYS A 97 5.399 -7.659 -8.179 1.00 12.24 H new ATOM 0 HD3 LYS A 97 6.125 -9.094 -7.482 1.00 12.24 H new ATOM 0 HE2 LYS A 97 3.184 -8.313 -7.320 1.00 34.51 H new ATOM 0 HE3 LYS A 97 3.861 -9.581 -8.322 1.00 34.51 H new ATOM 0 HZ1 LYS A 97 3.372 -10.894 -6.604 1.00 35.21 H new ATOM 0 HZ2 LYS A 97 4.758 -10.255 -5.861 1.00 35.21 H new ATOM 0 HZ3 LYS A 97 3.230 -9.603 -5.510 1.00 35.21 H new ATOM 1570 N TRP A 98 6.156 -7.167 -2.701 1.00 55.33 N ATOM 1571 CA TRP A 98 6.038 -8.047 -1.543 1.00 1.44 C ATOM 1572 C TRP A 98 5.963 -9.522 -1.962 1.00 2.13 C ATOM 1573 O TRP A 98 4.900 -10.029 -2.325 1.00 32.22 O ATOM 1574 CB TRP A 98 4.813 -7.676 -0.695 1.00 11.50 C ATOM 1575 CG TRP A 98 4.572 -8.621 0.448 1.00 44.52 C ATOM 1576 CD1 TRP A 98 5.517 -9.199 1.248 1.00 12.34 C ATOM 1577 CD2 TRP A 98 3.307 -9.098 0.918 1.00 13.32 C ATOM 1578 NE1 TRP A 98 4.917 -10.002 2.183 1.00 71.03 N ATOM 1579 CE2 TRP A 98 3.562 -9.958 2.000 1.00 12.34 C ATOM 1580 CE3 TRP A 98 1.984 -8.878 0.528 1.00 43.43 C ATOM 1581 CZ2 TRP A 98 2.545 -10.597 2.700 1.00 14.42 C ATOM 1582 CZ3 TRP A 98 0.973 -9.516 1.220 1.00 33.31 C ATOM 1583 CH2 TRP A 98 1.257 -10.369 2.295 1.00 23.41 C ATOM 0 H TRP A 98 5.350 -6.561 -2.855 1.00 55.33 H new ATOM 0 HA TRP A 98 6.936 -7.911 -0.940 1.00 1.44 H new ATOM 0 HB2 TRP A 98 4.944 -6.668 -0.302 1.00 11.50 H new ATOM 0 HB3 TRP A 98 3.930 -7.657 -1.334 1.00 11.50 H new ATOM 0 HD1 TRP A 98 6.582 -9.045 1.157 1.00 12.34 H new ATOM 0 HE1 TRP A 98 5.402 -10.544 2.898 1.00 71.03 H new ATOM 0 HE3 TRP A 98 1.756 -8.222 -0.299 1.00 43.43 H new ATOM 0 HZ2 TRP A 98 2.763 -11.249 3.533 1.00 14.42 H new ATOM 0 HZ3 TRP A 98 -0.054 -9.355 0.928 1.00 33.31 H new ATOM 0 HH2 TRP A 98 0.445 -10.856 2.814 1.00 23.41 H new ATOM 1594 N GLN A 99 7.110 -10.192 -1.928 1.00 55.13 N ATOM 1595 CA GLN A 99 7.178 -11.635 -2.167 1.00 3.51 C ATOM 1596 C GLN A 99 7.414 -12.392 -0.848 1.00 52.41 C ATOM 1597 O GLN A 99 8.557 -12.558 -0.420 1.00 3.01 O ATOM 1598 CB GLN A 99 8.303 -11.961 -3.163 1.00 20.05 C ATOM 1599 CG GLN A 99 8.145 -11.297 -4.529 1.00 61.13 C ATOM 1600 CD GLN A 99 6.856 -11.688 -5.234 1.00 71.41 C ATOM 1601 OE1 GLN A 99 5.831 -11.027 -5.102 1.00 40.41 O ATOM 1602 NE2 GLN A 99 6.891 -12.774 -5.978 1.00 61.42 N ATOM 0 H GLN A 99 8.013 -9.758 -1.736 1.00 55.13 H new ATOM 0 HA GLN A 99 6.226 -11.955 -2.590 1.00 3.51 H new ATOM 0 HB2 GLN A 99 9.255 -11.654 -2.731 1.00 20.05 H new ATOM 0 HB3 GLN A 99 8.349 -13.041 -3.300 1.00 20.05 H new ATOM 0 HG2 GLN A 99 8.171 -10.214 -4.406 1.00 61.13 H new ATOM 0 HG3 GLN A 99 8.993 -11.567 -5.158 1.00 61.13 H new ATOM 0 HE21 GLN A 99 7.759 -13.303 -6.068 1.00 61.42 H new ATOM 0 HE22 GLN A 99 6.050 -13.087 -6.464 1.00 61.42 H new ATOM 1611 N PRO A 100 6.336 -12.853 -0.179 1.00 11.53 N ATOM 1612 CA PRO A 100 6.441 -13.603 1.096 1.00 64.15 C ATOM 1613 C PRO A 100 7.040 -15.016 0.930 1.00 15.31 C ATOM 1614 O PRO A 100 7.058 -15.809 1.877 1.00 42.44 O ATOM 1615 CB PRO A 100 4.980 -13.689 1.565 1.00 13.13 C ATOM 1616 CG PRO A 100 4.183 -13.618 0.307 1.00 33.04 C ATOM 1617 CD PRO A 100 4.930 -12.670 -0.592 1.00 73.55 C ATOM 0 HA PRO A 100 7.113 -13.109 1.798 1.00 64.15 H new ATOM 0 HB2 PRO A 100 4.790 -14.617 2.104 1.00 13.13 H new ATOM 0 HB3 PRO A 100 4.730 -12.871 2.240 1.00 13.13 H new ATOM 0 HG2 PRO A 100 4.088 -14.602 -0.153 1.00 33.04 H new ATOM 0 HG3 PRO A 100 3.173 -13.259 0.503 1.00 33.04 H new ATOM 0 HD2 PRO A 100 4.784 -12.913 -1.644 1.00 73.55 H new ATOM 0 HD3 PRO A 100 4.600 -11.640 -0.454 1.00 73.55 H new ATOM 1625 N LEU A 101 7.523 -15.325 -0.273 1.00 35.22 N ATOM 1626 CA LEU A 101 8.111 -16.636 -0.574 1.00 74.54 C ATOM 1627 C LEU A 101 9.582 -16.496 -1.001 1.00 73.31 C ATOM 1628 O LEU A 101 9.941 -15.563 -1.720 1.00 11.55 O ATOM 1629 CB LEU A 101 7.314 -17.322 -1.697 1.00 3.40 C ATOM 1630 CG LEU A 101 5.805 -17.483 -1.439 1.00 0.32 C ATOM 1631 CD1 LEU A 101 5.121 -18.139 -2.637 1.00 12.31 C ATOM 1632 CD2 LEU A 101 5.556 -18.284 -0.162 1.00 51.42 C ATOM 0 H LEU A 101 7.519 -14.681 -1.064 1.00 35.22 H new ATOM 0 HA LEU A 101 8.068 -17.243 0.331 1.00 74.54 H new ATOM 0 HB2 LEU A 101 7.448 -16.750 -2.615 1.00 3.40 H new ATOM 0 HB3 LEU A 101 7.742 -18.309 -1.871 1.00 3.40 H new ATOM 0 HG LEU A 101 5.373 -16.491 -1.303 1.00 0.32 H new ATOM 0 HD11 LEU A 101 4.055 -18.244 -2.435 1.00 12.31 H new ATOM 0 HD12 LEU A 101 5.263 -17.519 -3.522 1.00 12.31 H new ATOM 0 HD13 LEU A 101 5.556 -19.123 -2.810 1.00 12.31 H new ATOM 0 HD21 LEU A 101 4.483 -18.385 0.001 1.00 51.42 H new ATOM 0 HD22 LEU A 101 6.003 -19.273 -0.260 1.00 51.42 H new ATOM 0 HD23 LEU A 101 6.004 -17.766 0.686 1.00 51.42 H new ATOM 1644 N GLU A 102 10.424 -17.425 -0.553 1.00 13.25 N ATOM 1645 CA GLU A 102 11.850 -17.435 -0.920 1.00 72.33 C ATOM 1646 C GLU A 102 12.073 -18.024 -2.325 1.00 73.23 C ATOM 1647 O GLU A 102 12.384 -17.253 -3.260 1.00 37.91 O ATOM 1648 CB GLU A 102 12.668 -18.222 0.121 1.00 1.10 C ATOM 1649 CG GLU A 102 13.020 -17.423 1.375 1.00 65.24 C ATOM 1650 CD GLU A 102 11.813 -16.791 2.051 1.00 61.51 C ATOM 1651 OE1 GLU A 102 11.048 -17.521 2.717 1.00 5.12 O ATOM 1652 OE2 GLU A 102 11.631 -15.559 1.930 1.00 64.52 O ATOM 0 H GLU A 102 10.148 -18.186 0.067 1.00 13.25 H new ATOM 0 HA GLU A 102 12.191 -16.400 -0.935 1.00 72.33 H new ATOM 0 HB2 GLU A 102 12.105 -19.108 0.414 1.00 1.10 H new ATOM 0 HB3 GLU A 102 13.590 -18.570 -0.345 1.00 1.10 H new ATOM 0 HG2 GLU A 102 13.522 -18.080 2.086 1.00 65.24 H new ATOM 0 HG3 GLU A 102 13.729 -16.639 1.109 1.00 65.24 H new TER 1659 GLU A 102