USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 937 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 37 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 11 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -124:sc= -1.26 (180deg=-2.53!) USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.0246 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0218 USER MOD Single : A 9 LYS NZ :NH3+ 147:sc= 0.744 (180deg=0.217) USER MOD Single : A 16 ASN : amide:sc= 0.228 X(o=0.23,f=-0.096) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 157:sc= 0.645 (180deg=0.374) USER MOD Single : A 34 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.37) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.375 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -179:sc= 0.196 (180deg=0.195) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= -0.0223 (180deg=-0.174) USER MOD Single : A 84 LYS NZ :NH3+ -151:sc= 0.186 (180deg=-0.234) USER MOD Single : A 88 ASN : amide:sc= 0.373 X(o=0.37,f=0) USER MOD Single : A 90 THR OG1 : rot 69:sc= 0.189 USER MOD Single : A 92 THR OG1 : rot 86:sc= 0.00744 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -130:sc= 0.769 USER MOD Single : A 101 SER OG : rot 40:sc= 0.187 USER MOD Single : A 102 SER OG : rot 180:sc= 0.0172 USER MOD Single : A 104 SER OG : rot 28:sc= 0.0637 USER MOD Single : A 107 HIS : no HD1:sc= -0.133 X(o=-0.13,f=0.0086) USER MOD Single : A 108 HIS : no HD1:sc= -0.153 X(o=-0.15,f=-0.15) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc=-0.00503 X(o=-0.005,f=-0.005) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.428 -4.296 20.539 1.00 10.34 N ATOM 2 CA MET A 1 -5.003 -3.903 19.172 1.00 32.32 C ATOM 3 C MET A 1 -3.745 -4.681 18.773 1.00 34.11 C ATOM 4 O MET A 1 -2.865 -4.921 19.608 1.00 41.24 O ATOM 5 CB MET A 1 -4.735 -2.371 19.072 1.00 53.42 C ATOM 6 CG MET A 1 -5.964 -1.479 19.269 1.00 34.14 C ATOM 7 SD MET A 1 -5.588 0.280 19.074 1.00 50.10 S ATOM 8 CE MET A 1 -5.077 0.376 17.355 1.00 1.43 C ATOM 0 H1 MET A 1 -6.337 -4.799 20.489 1.00 10.34 H new ATOM 0 H2 MET A 1 -4.710 -4.920 20.960 1.00 10.34 H new ATOM 0 H3 MET A 1 -5.535 -3.445 21.127 1.00 10.34 H new ATOM 0 HA MET A 1 -5.815 -4.145 18.487 1.00 32.32 H new ATOM 0 HB2 MET A 1 -3.986 -2.100 19.817 1.00 53.42 H new ATOM 0 HB3 MET A 1 -4.304 -2.157 18.094 1.00 53.42 H new ATOM 0 HG2 MET A 1 -6.733 -1.764 18.551 1.00 34.14 H new ATOM 0 HG3 MET A 1 -6.377 -1.650 20.263 1.00 34.14 H new ATOM 0 HE1 MET A 1 -4.081 0.814 17.296 1.00 1.43 H new ATOM 0 HE2 MET A 1 -5.060 -0.625 16.924 1.00 1.43 H new ATOM 0 HE3 MET A 1 -5.780 0.998 16.801 1.00 1.43 H new ATOM 20 N LEU A 2 -3.673 -5.069 17.492 1.00 21.34 N ATOM 21 CA LEU A 2 -2.508 -5.748 16.896 1.00 70.23 C ATOM 22 C LEU A 2 -1.917 -4.889 15.778 1.00 71.10 C ATOM 23 O LEU A 2 -2.576 -3.972 15.272 1.00 41.22 O ATOM 24 CB LEU A 2 -2.897 -7.174 16.399 1.00 63.10 C ATOM 25 CG LEU A 2 -4.181 -7.325 15.499 1.00 74.11 C ATOM 26 CD1 LEU A 2 -3.996 -6.784 14.056 1.00 1.03 C ATOM 27 CD2 LEU A 2 -4.657 -8.797 15.471 1.00 61.01 C ATOM 0 H LEU A 2 -4.433 -4.919 16.828 1.00 21.34 H new ATOM 0 HA LEU A 2 -1.738 -5.875 17.657 1.00 70.23 H new ATOM 0 HB2 LEU A 2 -2.051 -7.574 15.841 1.00 63.10 H new ATOM 0 HB3 LEU A 2 -3.029 -7.808 17.276 1.00 63.10 H new ATOM 0 HG LEU A 2 -4.949 -6.704 15.960 1.00 74.11 H new ATOM 0 HD11 LEU A 2 -4.920 -6.921 13.495 1.00 1.03 H new ATOM 0 HD12 LEU A 2 -3.749 -5.723 14.094 1.00 1.03 H new ATOM 0 HD13 LEU A 2 -3.189 -7.327 13.564 1.00 1.03 H new ATOM 0 HD21 LEU A 2 -5.545 -8.880 14.844 1.00 61.01 H new ATOM 0 HD22 LEU A 2 -3.866 -9.428 15.065 1.00 61.01 H new ATOM 0 HD23 LEU A 2 -4.896 -9.121 16.484 1.00 61.01 H new ATOM 39 N THR A 3 -0.660 -5.166 15.427 1.00 52.14 N ATOM 40 CA THR A 3 0.014 -4.516 14.303 1.00 51.32 C ATOM 41 C THR A 3 0.453 -5.574 13.270 1.00 74.43 C ATOM 42 O THR A 3 1.306 -6.424 13.563 1.00 60.14 O ATOM 43 CB THR A 3 1.237 -3.687 14.798 1.00 11.22 C ATOM 44 OG1 THR A 3 0.830 -2.809 15.860 1.00 12.12 O ATOM 45 CG2 THR A 3 1.846 -2.847 13.670 1.00 31.41 C ATOM 0 H THR A 3 -0.080 -5.849 15.915 1.00 52.14 H new ATOM 0 HA THR A 3 -0.685 -3.829 13.825 1.00 51.32 H new ATOM 0 HB THR A 3 1.990 -4.391 15.151 1.00 11.22 H new ATOM 0 HG1 THR A 3 1.602 -2.291 16.170 1.00 12.12 H new ATOM 0 HG21 THR A 3 2.696 -2.283 14.054 1.00 31.41 H new ATOM 0 HG22 THR A 3 2.180 -3.504 12.867 1.00 31.41 H new ATOM 0 HG23 THR A 3 1.096 -2.156 13.286 1.00 31.41 H new ATOM 53 N VAL A 4 -0.148 -5.513 12.074 1.00 13.32 N ATOM 54 CA VAL A 4 0.161 -6.421 10.964 1.00 70.34 C ATOM 55 C VAL A 4 1.112 -5.728 9.985 1.00 21.13 C ATOM 56 O VAL A 4 0.917 -4.568 9.619 1.00 41.01 O ATOM 57 CB VAL A 4 -1.141 -6.909 10.227 1.00 42.32 C ATOM 58 CG1 VAL A 4 -2.011 -5.730 9.727 1.00 31.44 C ATOM 59 CG2 VAL A 4 -0.796 -7.888 9.070 1.00 12.24 C ATOM 0 H VAL A 4 -0.868 -4.826 11.849 1.00 13.32 H new ATOM 0 HA VAL A 4 0.646 -7.307 11.373 1.00 70.34 H new ATOM 0 HB VAL A 4 -1.738 -7.450 10.961 1.00 42.32 H new ATOM 0 HG11 VAL A 4 -2.897 -6.119 9.226 1.00 31.44 H new ATOM 0 HG12 VAL A 4 -2.314 -5.116 10.575 1.00 31.44 H new ATOM 0 HG13 VAL A 4 -1.435 -5.124 9.028 1.00 31.44 H new ATOM 0 HG21 VAL A 4 -1.715 -8.209 8.579 1.00 12.24 H new ATOM 0 HG22 VAL A 4 -0.154 -7.385 8.347 1.00 12.24 H new ATOM 0 HG23 VAL A 4 -0.277 -8.758 9.472 1.00 12.24 H new ATOM 69 N GLU A 5 2.167 -6.444 9.607 1.00 65.33 N ATOM 70 CA GLU A 5 3.159 -5.990 8.630 1.00 34.21 C ATOM 71 C GLU A 5 3.066 -6.876 7.380 1.00 0.04 C ATOM 72 O GLU A 5 2.975 -8.105 7.485 1.00 50.11 O ATOM 73 CB GLU A 5 4.580 -6.049 9.245 1.00 32.30 C ATOM 74 CG GLU A 5 4.769 -5.187 10.511 1.00 0.11 C ATOM 75 CD GLU A 5 6.197 -5.240 11.073 1.00 0.45 C ATOM 76 OE1 GLU A 5 7.099 -4.601 10.494 1.00 32.32 O ATOM 77 OE2 GLU A 5 6.427 -5.933 12.091 1.00 23.24 O ATOM 0 H GLU A 5 2.363 -7.374 9.977 1.00 65.33 H new ATOM 0 HA GLU A 5 2.959 -4.956 8.351 1.00 34.21 H new ATOM 0 HB2 GLU A 5 4.813 -7.085 9.489 1.00 32.30 H new ATOM 0 HB3 GLU A 5 5.301 -5.729 8.493 1.00 32.30 H new ATOM 0 HG2 GLU A 5 4.515 -4.153 10.279 1.00 0.11 H new ATOM 0 HG3 GLU A 5 4.071 -5.522 11.278 1.00 0.11 H new ATOM 84 N VAL A 6 3.079 -6.237 6.212 1.00 21.13 N ATOM 85 CA VAL A 6 3.014 -6.898 4.905 1.00 61.41 C ATOM 86 C VAL A 6 3.988 -6.189 3.951 1.00 10.33 C ATOM 87 O VAL A 6 4.022 -4.950 3.876 1.00 34.53 O ATOM 88 CB VAL A 6 1.542 -6.900 4.326 1.00 21.13 C ATOM 89 CG1 VAL A 6 0.969 -5.482 4.261 1.00 2.45 C ATOM 90 CG2 VAL A 6 1.454 -7.586 2.936 1.00 40.45 C ATOM 0 H VAL A 6 3.136 -5.221 6.144 1.00 21.13 H new ATOM 0 HA VAL A 6 3.304 -7.943 5.014 1.00 61.41 H new ATOM 0 HB VAL A 6 0.938 -7.487 5.017 1.00 21.13 H new ATOM 0 HG11 VAL A 6 -0.044 -5.517 3.859 1.00 2.45 H new ATOM 0 HG12 VAL A 6 0.947 -5.052 5.262 1.00 2.45 H new ATOM 0 HG13 VAL A 6 1.595 -4.866 3.615 1.00 2.45 H new ATOM 0 HG21 VAL A 6 0.423 -7.561 2.583 1.00 40.45 H new ATOM 0 HG22 VAL A 6 2.093 -7.058 2.228 1.00 40.45 H new ATOM 0 HG23 VAL A 6 1.784 -8.621 3.020 1.00 40.45 H new ATOM 100 N GLU A 7 4.816 -6.987 3.279 1.00 0.22 N ATOM 101 CA GLU A 7 5.747 -6.516 2.262 1.00 15.15 C ATOM 102 C GLU A 7 5.075 -6.638 0.892 1.00 32.21 C ATOM 103 O GLU A 7 4.866 -7.754 0.398 1.00 22.31 O ATOM 104 CB GLU A 7 7.028 -7.377 2.319 1.00 55.41 C ATOM 105 CG GLU A 7 8.131 -6.972 1.327 1.00 54.34 C ATOM 106 CD GLU A 7 9.291 -7.980 1.295 1.00 41.20 C ATOM 107 OE1 GLU A 7 9.875 -8.258 2.367 1.00 40.35 O ATOM 108 OE2 GLU A 7 9.592 -8.539 0.223 1.00 61.44 O ATOM 0 H GLU A 7 4.857 -7.995 3.430 1.00 0.22 H new ATOM 0 HA GLU A 7 6.017 -5.474 2.436 1.00 15.15 H new ATOM 0 HB2 GLU A 7 7.434 -7.330 3.329 1.00 55.41 H new ATOM 0 HB3 GLU A 7 6.757 -8.416 2.133 1.00 55.41 H new ATOM 0 HG2 GLU A 7 7.703 -6.883 0.329 1.00 54.34 H new ATOM 0 HG3 GLU A 7 8.515 -5.989 1.597 1.00 54.34 H new ATOM 115 N VAL A 8 4.692 -5.498 0.305 1.00 34.43 N ATOM 116 CA VAL A 8 4.194 -5.462 -1.070 1.00 71.15 C ATOM 117 C VAL A 8 5.369 -5.011 -1.958 1.00 51.41 C ATOM 118 O VAL A 8 5.716 -3.838 -1.984 1.00 33.32 O ATOM 119 CB VAL A 8 2.964 -4.482 -1.204 1.00 55.13 C ATOM 120 CG1 VAL A 8 2.378 -4.515 -2.637 1.00 42.30 C ATOM 121 CG2 VAL A 8 1.879 -4.793 -0.130 1.00 1.44 C ATOM 0 H VAL A 8 4.719 -4.588 0.764 1.00 34.43 H new ATOM 0 HA VAL A 8 3.836 -6.444 -1.378 1.00 71.15 H new ATOM 0 HB VAL A 8 3.320 -3.468 -1.022 1.00 55.13 H new ATOM 0 HG11 VAL A 8 1.532 -3.830 -2.700 1.00 42.30 H new ATOM 0 HG12 VAL A 8 3.144 -4.212 -3.350 1.00 42.30 H new ATOM 0 HG13 VAL A 8 2.045 -5.526 -2.871 1.00 42.30 H new ATOM 0 HG21 VAL A 8 1.044 -4.103 -0.246 1.00 1.44 H new ATOM 0 HG22 VAL A 8 1.525 -5.816 -0.256 1.00 1.44 H new ATOM 0 HG23 VAL A 8 2.309 -4.678 0.865 1.00 1.44 H new ATOM 131 N LYS A 9 5.979 -5.957 -2.678 1.00 54.13 N ATOM 132 CA LYS A 9 7.174 -5.690 -3.476 1.00 41.42 C ATOM 133 C LYS A 9 6.777 -5.588 -4.960 1.00 34.11 C ATOM 134 O LYS A 9 6.498 -6.591 -5.621 1.00 74.34 O ATOM 135 CB LYS A 9 8.270 -6.776 -3.203 1.00 74.01 C ATOM 136 CG LYS A 9 9.689 -6.172 -3.103 1.00 55.24 C ATOM 137 CD LYS A 9 10.794 -7.198 -2.824 1.00 41.11 C ATOM 138 CE LYS A 9 12.168 -6.526 -2.672 1.00 34.23 C ATOM 139 NZ LYS A 9 13.251 -7.511 -2.431 1.00 62.13 N ATOM 0 H LYS A 9 5.658 -6.924 -2.723 1.00 54.13 H new ATOM 0 HA LYS A 9 7.617 -4.736 -3.189 1.00 41.42 H new ATOM 0 HB2 LYS A 9 8.035 -7.300 -2.276 1.00 74.01 H new ATOM 0 HB3 LYS A 9 8.249 -7.517 -4.002 1.00 74.01 H new ATOM 0 HG2 LYS A 9 9.917 -5.654 -4.035 1.00 55.24 H new ATOM 0 HG3 LYS A 9 9.697 -5.423 -2.312 1.00 55.24 H new ATOM 0 HD2 LYS A 9 10.557 -7.751 -1.915 1.00 41.11 H new ATOM 0 HD3 LYS A 9 10.831 -7.923 -3.637 1.00 41.11 H new ATOM 0 HE2 LYS A 9 12.393 -5.955 -3.573 1.00 34.23 H new ATOM 0 HE3 LYS A 9 12.134 -5.817 -1.845 1.00 34.23 H new ATOM 0 HZ1 LYS A 9 14.132 -7.172 -2.868 1.00 62.13 H new ATOM 0 HZ2 LYS A 9 13.394 -7.626 -1.407 1.00 62.13 H new ATOM 0 HZ3 LYS A 9 12.987 -8.426 -2.849 1.00 62.13 H new ATOM 153 N ILE A 10 6.766 -4.350 -5.449 1.00 32.34 N ATOM 154 CA ILE A 10 6.205 -3.950 -6.734 1.00 3.13 C ATOM 155 C ILE A 10 7.321 -3.880 -7.792 1.00 3.33 C ATOM 156 O ILE A 10 8.133 -2.949 -7.783 1.00 45.52 O ATOM 157 CB ILE A 10 5.537 -2.532 -6.569 1.00 25.01 C ATOM 158 CG1 ILE A 10 4.512 -2.552 -5.375 1.00 41.53 C ATOM 159 CG2 ILE A 10 4.891 -2.056 -7.899 1.00 54.11 C ATOM 160 CD1 ILE A 10 3.910 -1.210 -5.008 1.00 25.14 C ATOM 0 H ILE A 10 7.166 -3.564 -4.936 1.00 32.34 H new ATOM 0 HA ILE A 10 5.461 -4.678 -7.058 1.00 3.13 H new ATOM 0 HB ILE A 10 6.310 -1.804 -6.326 1.00 25.01 H new ATOM 0 HG12 ILE A 10 3.702 -3.237 -5.626 1.00 41.53 H new ATOM 0 HG13 ILE A 10 5.013 -2.958 -4.496 1.00 41.53 H new ATOM 0 HG21 ILE A 10 4.439 -1.075 -7.753 1.00 54.11 H new ATOM 0 HG22 ILE A 10 5.656 -1.991 -8.672 1.00 54.11 H new ATOM 0 HG23 ILE A 10 4.124 -2.767 -8.206 1.00 54.11 H new ATOM 0 HD11 ILE A 10 3.219 -1.337 -4.175 1.00 25.14 H new ATOM 0 HD12 ILE A 10 4.704 -0.522 -4.719 1.00 25.14 H new ATOM 0 HD13 ILE A 10 3.373 -0.805 -5.866 1.00 25.14 H new ATOM 172 N THR A 11 7.367 -4.868 -8.688 1.00 2.34 N ATOM 173 CA THR A 11 8.294 -4.869 -9.811 1.00 64.51 C ATOM 174 C THR A 11 7.605 -4.162 -10.994 1.00 75.51 C ATOM 175 O THR A 11 6.647 -4.672 -11.561 1.00 72.12 O ATOM 176 CB THR A 11 8.789 -6.324 -10.150 1.00 4.43 C ATOM 177 OG1 THR A 11 9.738 -6.279 -11.221 1.00 33.12 O ATOM 178 CG2 THR A 11 7.658 -7.324 -10.493 1.00 62.01 C ATOM 0 H THR A 11 6.761 -5.688 -8.652 1.00 2.34 H new ATOM 0 HA THR A 11 9.202 -4.320 -9.561 1.00 64.51 H new ATOM 0 HB THR A 11 9.252 -6.699 -9.237 1.00 4.43 H new ATOM 0 HG1 THR A 11 10.043 -7.187 -11.426 1.00 33.12 H new ATOM 0 HG21 THR A 11 8.090 -8.300 -10.713 1.00 62.01 H new ATOM 0 HG22 THR A 11 6.979 -7.410 -9.645 1.00 62.01 H new ATOM 0 HG23 THR A 11 7.108 -6.966 -11.363 1.00 62.01 H new ATOM 186 N ALA A 12 8.072 -2.946 -11.318 1.00 55.44 N ATOM 187 CA ALA A 12 7.429 -2.063 -12.307 1.00 62.44 C ATOM 188 C ALA A 12 8.484 -1.547 -13.283 1.00 2.41 C ATOM 189 O ALA A 12 9.637 -1.351 -12.886 1.00 34.32 O ATOM 190 CB ALA A 12 6.738 -0.888 -11.588 1.00 11.11 C ATOM 0 H ALA A 12 8.911 -2.544 -10.899 1.00 55.44 H new ATOM 0 HA ALA A 12 6.674 -2.620 -12.862 1.00 62.44 H new ATOM 0 HB1 ALA A 12 6.264 -0.239 -12.324 1.00 11.11 H new ATOM 0 HB2 ALA A 12 5.982 -1.274 -10.905 1.00 11.11 H new ATOM 0 HB3 ALA A 12 7.479 -0.319 -11.026 1.00 11.11 H new ATOM 196 N ASP A 13 8.080 -1.334 -14.550 1.00 75.33 N ATOM 197 CA ASP A 13 8.956 -0.795 -15.619 1.00 20.32 C ATOM 198 C ASP A 13 9.508 0.593 -15.224 1.00 44.42 C ATOM 199 O ASP A 13 10.700 0.868 -15.379 1.00 21.05 O ATOM 200 CB ASP A 13 8.181 -0.730 -16.960 1.00 5.12 C ATOM 201 CG ASP A 13 8.972 -0.072 -18.108 1.00 53.12 C ATOM 202 OD1 ASP A 13 9.875 -0.723 -18.676 1.00 2.24 O ATOM 203 OD2 ASP A 13 8.700 1.104 -18.439 1.00 34.14 O ATOM 0 H ASP A 13 7.131 -1.531 -14.867 1.00 75.33 H new ATOM 0 HA ASP A 13 9.807 -1.464 -15.748 1.00 20.32 H new ATOM 0 HB2 ASP A 13 7.903 -1.741 -17.257 1.00 5.12 H new ATOM 0 HB3 ASP A 13 7.255 -0.177 -16.806 1.00 5.12 H new ATOM 208 N ASP A 14 8.626 1.450 -14.689 1.00 14.20 N ATOM 209 CA ASP A 14 9.020 2.726 -14.075 1.00 31.43 C ATOM 210 C ASP A 14 8.872 2.598 -12.556 1.00 25.34 C ATOM 211 O ASP A 14 7.804 2.880 -12.015 1.00 32.02 O ATOM 212 CB ASP A 14 8.156 3.902 -14.602 1.00 34.33 C ATOM 213 CG ASP A 14 8.411 4.242 -16.071 1.00 34.23 C ATOM 214 OD1 ASP A 14 9.555 4.597 -16.414 1.00 25.13 O ATOM 215 OD2 ASP A 14 7.467 4.193 -16.881 1.00 53.35 O ATOM 0 H ASP A 14 7.621 1.278 -14.670 1.00 14.20 H new ATOM 0 HA ASP A 14 10.055 2.944 -14.338 1.00 31.43 H new ATOM 0 HB2 ASP A 14 7.103 3.653 -14.473 1.00 34.33 H new ATOM 0 HB3 ASP A 14 8.351 4.786 -13.994 1.00 34.33 H new ATOM 220 N GLU A 15 9.928 2.099 -11.888 1.00 33.43 N ATOM 221 CA GLU A 15 9.949 1.911 -10.417 1.00 71.43 C ATOM 222 C GLU A 15 10.013 3.261 -9.667 1.00 14.12 C ATOM 223 O GLU A 15 9.497 3.379 -8.556 1.00 31.31 O ATOM 224 CB GLU A 15 11.132 0.988 -9.985 1.00 60.23 C ATOM 225 CG GLU A 15 12.549 1.604 -10.084 1.00 15.44 C ATOM 226 CD GLU A 15 12.984 1.960 -11.518 1.00 40.44 C ATOM 227 OE1 GLU A 15 13.549 1.099 -12.203 1.00 43.42 O ATOM 228 OE2 GLU A 15 12.741 3.104 -11.972 1.00 72.40 O ATOM 0 H GLU A 15 10.792 1.813 -12.348 1.00 33.43 H new ATOM 0 HA GLU A 15 9.013 1.423 -10.143 1.00 71.43 H new ATOM 0 HB2 GLU A 15 10.965 0.676 -8.954 1.00 60.23 H new ATOM 0 HB3 GLU A 15 11.106 0.087 -10.598 1.00 60.23 H new ATOM 0 HG2 GLU A 15 12.585 2.505 -9.471 1.00 15.44 H new ATOM 0 HG3 GLU A 15 13.268 0.902 -9.662 1.00 15.44 H new ATOM 235 N ASN A 16 10.651 4.273 -10.273 1.00 22.14 N ATOM 236 CA ASN A 16 10.783 5.616 -9.667 1.00 11.21 C ATOM 237 C ASN A 16 9.417 6.326 -9.664 1.00 25.02 C ATOM 238 O ASN A 16 9.051 7.000 -8.689 1.00 55.32 O ATOM 239 CB ASN A 16 11.858 6.454 -10.398 1.00 75.53 C ATOM 240 CG ASN A 16 11.525 6.793 -11.855 1.00 23.13 C ATOM 241 OD1 ASN A 16 10.893 7.808 -12.131 1.00 54.34 O ATOM 242 ND2 ASN A 16 11.902 5.929 -12.782 1.00 22.31 N ATOM 0 H ASN A 16 11.089 4.190 -11.190 1.00 22.14 H new ATOM 0 HA ASN A 16 11.113 5.504 -8.634 1.00 11.21 H new ATOM 0 HB2 ASN A 16 12.010 7.383 -9.849 1.00 75.53 H new ATOM 0 HB3 ASN A 16 12.802 5.910 -10.373 1.00 75.53 H new ATOM 0 HD21 ASN A 16 11.668 6.097 -13.761 1.00 22.31 H new ATOM 0 HD22 ASN A 16 12.427 5.095 -12.519 1.00 22.31 H new ATOM 249 N LYS A 17 8.665 6.142 -10.769 1.00 34.11 N ATOM 250 CA LYS A 17 7.285 6.616 -10.889 1.00 54.23 C ATOM 251 C LYS A 17 6.376 5.768 -10.002 1.00 23.42 C ATOM 252 O LYS A 17 5.461 6.296 -9.391 1.00 34.22 O ATOM 253 CB LYS A 17 6.798 6.572 -12.362 1.00 11.23 C ATOM 254 CG LYS A 17 7.599 7.464 -13.333 1.00 54.13 C ATOM 255 CD LYS A 17 7.605 8.954 -12.923 1.00 14.42 C ATOM 256 CE LYS A 17 8.379 9.837 -13.917 1.00 62.45 C ATOM 257 NZ LYS A 17 8.478 11.246 -13.451 1.00 74.25 N ATOM 0 H LYS A 17 9.005 5.659 -11.600 1.00 34.11 H new ATOM 0 HA LYS A 17 7.247 7.655 -10.561 1.00 54.23 H new ATOM 0 HB2 LYS A 17 6.844 5.542 -12.715 1.00 11.23 H new ATOM 0 HB3 LYS A 17 5.751 6.873 -12.393 1.00 11.23 H new ATOM 0 HG2 LYS A 17 8.626 7.103 -13.384 1.00 54.13 H new ATOM 0 HG3 LYS A 17 7.178 7.371 -14.334 1.00 54.13 H new ATOM 0 HD2 LYS A 17 6.578 9.311 -12.849 1.00 14.42 H new ATOM 0 HD3 LYS A 17 8.049 9.053 -11.932 1.00 14.42 H new ATOM 0 HE2 LYS A 17 9.381 9.431 -14.059 1.00 62.45 H new ATOM 0 HE3 LYS A 17 7.884 9.810 -14.888 1.00 62.45 H new ATOM 0 HZ1 LYS A 17 9.007 11.806 -14.150 1.00 74.25 H new ATOM 0 HZ2 LYS A 17 7.523 11.643 -13.340 1.00 74.25 H new ATOM 0 HZ3 LYS A 17 8.974 11.275 -12.537 1.00 74.25 H new ATOM 271 N ALA A 18 6.662 4.449 -9.927 1.00 35.24 N ATOM 272 CA ALA A 18 5.880 3.500 -9.105 1.00 35.40 C ATOM 273 C ALA A 18 5.915 3.892 -7.626 1.00 32.11 C ATOM 274 O ALA A 18 4.897 3.833 -6.942 1.00 31.31 O ATOM 275 CB ALA A 18 6.381 2.060 -9.273 1.00 72.55 C ATOM 0 H ALA A 18 7.436 4.015 -10.431 1.00 35.24 H new ATOM 0 HA ALA A 18 4.850 3.548 -9.458 1.00 35.40 H new ATOM 0 HB1 ALA A 18 5.782 1.392 -8.654 1.00 72.55 H new ATOM 0 HB2 ALA A 18 6.292 1.763 -10.318 1.00 72.55 H new ATOM 0 HB3 ALA A 18 7.425 2.000 -8.967 1.00 72.55 H new ATOM 281 N GLU A 19 7.107 4.306 -7.170 1.00 10.12 N ATOM 282 CA GLU A 19 7.327 4.781 -5.808 1.00 54.41 C ATOM 283 C GLU A 19 6.457 6.025 -5.545 1.00 44.41 C ATOM 284 O GLU A 19 5.667 6.043 -4.609 1.00 22.12 O ATOM 285 CB GLU A 19 8.832 5.079 -5.581 1.00 43.42 C ATOM 286 CG GLU A 19 9.163 5.627 -4.182 1.00 43.32 C ATOM 287 CD GLU A 19 10.662 5.833 -3.955 1.00 42.23 C ATOM 288 OE1 GLU A 19 11.188 6.913 -4.308 1.00 52.20 O ATOM 289 OE2 GLU A 19 11.335 4.906 -3.446 1.00 15.42 O ATOM 0 H GLU A 19 7.948 4.318 -7.746 1.00 10.12 H new ATOM 0 HA GLU A 19 7.034 4.006 -5.100 1.00 54.41 H new ATOM 0 HB2 GLU A 19 9.401 4.163 -5.744 1.00 43.42 H new ATOM 0 HB3 GLU A 19 9.165 5.799 -6.329 1.00 43.42 H new ATOM 0 HG2 GLU A 19 8.647 6.576 -4.039 1.00 43.32 H new ATOM 0 HG3 GLU A 19 8.779 4.939 -3.429 1.00 43.32 H new ATOM 296 N GLU A 20 6.558 7.028 -6.427 1.00 35.51 N ATOM 297 CA GLU A 20 5.813 8.296 -6.286 1.00 3.41 C ATOM 298 C GLU A 20 4.280 8.108 -6.368 1.00 13.34 C ATOM 299 O GLU A 20 3.533 8.804 -5.658 1.00 34.10 O ATOM 300 CB GLU A 20 6.309 9.324 -7.331 1.00 15.13 C ATOM 301 CG GLU A 20 7.668 9.961 -6.988 1.00 72.01 C ATOM 302 CD GLU A 20 7.671 10.657 -5.606 1.00 54.00 C ATOM 303 OE1 GLU A 20 6.860 11.586 -5.397 1.00 43.43 O ATOM 304 OE2 GLU A 20 8.478 10.281 -4.727 1.00 3.33 O ATOM 0 H GLU A 20 7.153 6.989 -7.255 1.00 35.51 H new ATOM 0 HA GLU A 20 6.015 8.679 -5.286 1.00 3.41 H new ATOM 0 HB2 GLU A 20 6.384 8.833 -8.301 1.00 15.13 H new ATOM 0 HB3 GLU A 20 5.564 10.114 -7.430 1.00 15.13 H new ATOM 0 HG2 GLU A 20 8.440 9.191 -7.004 1.00 72.01 H new ATOM 0 HG3 GLU A 20 7.928 10.689 -7.757 1.00 72.01 H new ATOM 311 N ILE A 21 3.835 7.171 -7.217 1.00 61.24 N ATOM 312 CA ILE A 21 2.415 6.813 -7.351 1.00 24.11 C ATOM 313 C ILE A 21 1.915 6.263 -6.008 1.00 24.51 C ATOM 314 O ILE A 21 1.032 6.843 -5.385 1.00 71.25 O ATOM 315 CB ILE A 21 2.190 5.757 -8.514 1.00 23.53 C ATOM 316 CG1 ILE A 21 2.408 6.414 -9.923 1.00 34.20 C ATOM 317 CG2 ILE A 21 0.795 5.092 -8.431 1.00 44.31 C ATOM 318 CD1 ILE A 21 2.332 5.453 -11.106 1.00 31.12 C ATOM 0 H ILE A 21 4.451 6.639 -7.832 1.00 61.24 H new ATOM 0 HA ILE A 21 1.846 7.704 -7.617 1.00 24.11 H new ATOM 0 HB ILE A 21 2.935 4.972 -8.381 1.00 23.53 H new ATOM 0 HG12 ILE A 21 1.661 7.195 -10.061 1.00 34.20 H new ATOM 0 HG13 ILE A 21 3.383 6.900 -9.932 1.00 34.20 H new ATOM 0 HG21 ILE A 21 0.684 4.377 -9.246 1.00 44.31 H new ATOM 0 HG22 ILE A 21 0.695 4.574 -7.477 1.00 44.31 H new ATOM 0 HG23 ILE A 21 0.022 5.856 -8.511 1.00 44.31 H new ATOM 0 HD11 ILE A 21 2.496 6.003 -12.033 1.00 31.12 H new ATOM 0 HD12 ILE A 21 3.098 4.684 -11.000 1.00 31.12 H new ATOM 0 HD13 ILE A 21 1.348 4.984 -11.131 1.00 31.12 H new ATOM 330 N VAL A 22 2.580 5.205 -5.535 1.00 51.02 N ATOM 331 CA VAL A 22 2.170 4.449 -4.346 1.00 32.33 C ATOM 332 C VAL A 22 2.271 5.320 -3.067 1.00 64.43 C ATOM 333 O VAL A 22 1.419 5.211 -2.192 1.00 63.33 O ATOM 334 CB VAL A 22 3.010 3.121 -4.246 1.00 43.25 C ATOM 335 CG1 VAL A 22 2.770 2.350 -2.931 1.00 63.13 C ATOM 336 CG2 VAL A 22 2.720 2.214 -5.466 1.00 51.43 C ATOM 0 H VAL A 22 3.428 4.844 -5.972 1.00 51.02 H new ATOM 0 HA VAL A 22 1.120 4.170 -4.439 1.00 32.33 H new ATOM 0 HB VAL A 22 4.061 3.411 -4.246 1.00 43.25 H new ATOM 0 HG11 VAL A 22 3.378 1.445 -2.924 1.00 63.13 H new ATOM 0 HG12 VAL A 22 3.046 2.979 -2.085 1.00 63.13 H new ATOM 0 HG13 VAL A 22 1.717 2.080 -2.854 1.00 63.13 H new ATOM 0 HG21 VAL A 22 3.306 1.299 -5.386 1.00 51.43 H new ATOM 0 HG22 VAL A 22 1.659 1.965 -5.490 1.00 51.43 H new ATOM 0 HG23 VAL A 22 2.990 2.739 -6.382 1.00 51.43 H new ATOM 346 N LYS A 23 3.274 6.226 -3.004 1.00 55.53 N ATOM 347 CA LYS A 23 3.409 7.219 -1.900 1.00 40.11 C ATOM 348 C LYS A 23 2.155 8.106 -1.821 1.00 21.25 C ATOM 349 O LYS A 23 1.510 8.202 -0.765 1.00 55.24 O ATOM 350 CB LYS A 23 4.655 8.133 -2.107 1.00 32.34 C ATOM 351 CG LYS A 23 6.020 7.472 -1.836 1.00 51.01 C ATOM 352 CD LYS A 23 7.201 8.416 -2.158 1.00 4.11 C ATOM 353 CE LYS A 23 7.145 9.741 -1.372 1.00 31.32 C ATOM 354 NZ LYS A 23 8.231 10.670 -1.770 1.00 2.03 N ATOM 0 H LYS A 23 4.009 6.294 -3.708 1.00 55.53 H new ATOM 0 HA LYS A 23 3.529 6.658 -0.973 1.00 40.11 H new ATOM 0 HB2 LYS A 23 4.647 8.500 -3.133 1.00 32.34 H new ATOM 0 HB3 LYS A 23 4.557 9.002 -1.457 1.00 32.34 H new ATOM 0 HG2 LYS A 23 6.074 7.169 -0.790 1.00 51.01 H new ATOM 0 HG3 LYS A 23 6.108 6.566 -2.435 1.00 51.01 H new ATOM 0 HD2 LYS A 23 8.138 7.906 -1.934 1.00 4.11 H new ATOM 0 HD3 LYS A 23 7.204 8.633 -3.226 1.00 4.11 H new ATOM 0 HE2 LYS A 23 6.180 10.220 -1.537 1.00 31.32 H new ATOM 0 HE3 LYS A 23 7.219 9.533 -0.305 1.00 31.32 H new ATOM 0 HZ1 LYS A 23 7.955 11.646 -1.538 1.00 2.03 H new ATOM 0 HZ2 LYS A 23 9.102 10.425 -1.258 1.00 2.03 H new ATOM 0 HZ3 LYS A 23 8.398 10.591 -2.794 1.00 2.03 H new ATOM 368 N ARG A 24 1.833 8.736 -2.971 1.00 63.13 N ATOM 369 CA ARG A 24 0.670 9.633 -3.115 1.00 44.20 C ATOM 370 C ARG A 24 -0.627 8.912 -2.730 1.00 74.50 C ATOM 371 O ARG A 24 -1.441 9.438 -1.957 1.00 2.11 O ATOM 372 CB ARG A 24 0.566 10.138 -4.581 1.00 21.30 C ATOM 373 CG ARG A 24 -0.707 10.966 -4.886 1.00 10.43 C ATOM 374 CD ARG A 24 -0.849 11.333 -6.369 1.00 3.21 C ATOM 375 NE ARG A 24 -2.156 11.960 -6.663 1.00 40.24 N ATOM 376 CZ ARG A 24 -2.433 12.709 -7.746 1.00 72.43 C ATOM 377 NH1 ARG A 24 -1.498 12.949 -8.668 1.00 52.32 N ATOM 378 NH2 ARG A 24 -3.658 13.201 -7.906 1.00 72.04 N ATOM 0 H ARG A 24 2.376 8.635 -3.829 1.00 63.13 H new ATOM 0 HA ARG A 24 0.811 10.481 -2.445 1.00 44.20 H new ATOM 0 HB2 ARG A 24 1.442 10.746 -4.805 1.00 21.30 H new ATOM 0 HB3 ARG A 24 0.594 9.279 -5.251 1.00 21.30 H new ATOM 0 HG2 ARG A 24 -1.584 10.400 -4.573 1.00 10.43 H new ATOM 0 HG3 ARG A 24 -0.689 11.880 -4.292 1.00 10.43 H new ATOM 0 HD2 ARG A 24 -0.048 12.016 -6.652 1.00 3.21 H new ATOM 0 HD3 ARG A 24 -0.733 10.436 -6.977 1.00 3.21 H new ATOM 0 HE ARG A 24 -2.908 11.813 -5.990 1.00 40.24 H new ATOM 0 HH11 ARG A 24 -0.561 12.563 -8.556 1.00 52.32 H new ATOM 0 HH12 ARG A 24 -1.721 13.518 -9.484 1.00 52.32 H new ATOM 0 HH21 ARG A 24 -4.379 13.010 -7.211 1.00 72.04 H new ATOM 0 HH22 ARG A 24 -3.876 13.770 -8.724 1.00 72.04 H new ATOM 392 N VAL A 25 -0.773 7.699 -3.275 1.00 10.04 N ATOM 393 CA VAL A 25 -1.975 6.882 -3.136 1.00 73.32 C ATOM 394 C VAL A 25 -2.234 6.527 -1.664 1.00 32.12 C ATOM 395 O VAL A 25 -3.316 6.790 -1.164 1.00 3.13 O ATOM 396 CB VAL A 25 -1.888 5.586 -4.025 1.00 75.15 C ATOM 397 CG1 VAL A 25 -2.998 4.582 -3.677 1.00 65.21 C ATOM 398 CG2 VAL A 25 -1.943 5.944 -5.529 1.00 65.34 C ATOM 0 H VAL A 25 -0.045 7.254 -3.834 1.00 10.04 H new ATOM 0 HA VAL A 25 -2.820 7.471 -3.491 1.00 73.32 H new ATOM 0 HB VAL A 25 -0.929 5.113 -3.812 1.00 75.15 H new ATOM 0 HG11 VAL A 25 -2.904 3.701 -4.312 1.00 65.21 H new ATOM 0 HG12 VAL A 25 -2.907 4.287 -2.632 1.00 65.21 H new ATOM 0 HG13 VAL A 25 -3.971 5.045 -3.840 1.00 65.21 H new ATOM 0 HG21 VAL A 25 -1.881 5.032 -6.123 1.00 65.34 H new ATOM 0 HG22 VAL A 25 -2.880 6.456 -5.747 1.00 65.34 H new ATOM 0 HG23 VAL A 25 -1.106 6.597 -5.778 1.00 65.34 H new ATOM 408 N ILE A 26 -1.230 5.968 -0.970 1.00 61.13 N ATOM 409 CA ILE A 26 -1.390 5.554 0.444 1.00 34.40 C ATOM 410 C ILE A 26 -1.672 6.777 1.331 1.00 23.35 C ATOM 411 O ILE A 26 -2.446 6.681 2.274 1.00 14.22 O ATOM 412 CB ILE A 26 -0.130 4.800 0.996 1.00 71.54 C ATOM 413 CG1 ILE A 26 0.202 3.566 0.111 1.00 34.45 C ATOM 414 CG2 ILE A 26 -0.333 4.355 2.477 1.00 74.34 C ATOM 415 CD1 ILE A 26 1.549 2.957 0.397 1.00 10.20 C ATOM 0 H ILE A 26 -0.303 5.791 -1.356 1.00 61.13 H new ATOM 0 HA ILE A 26 -2.234 4.865 0.473 1.00 34.40 H new ATOM 0 HB ILE A 26 0.708 5.497 0.963 1.00 71.54 H new ATOM 0 HG12 ILE A 26 -0.567 2.808 0.258 1.00 34.45 H new ATOM 0 HG13 ILE A 26 0.163 3.861 -0.937 1.00 34.45 H new ATOM 0 HG21 ILE A 26 0.559 3.836 2.827 1.00 74.34 H new ATOM 0 HG22 ILE A 26 -0.510 5.232 3.099 1.00 74.34 H new ATOM 0 HG23 ILE A 26 -1.191 3.686 2.541 1.00 74.34 H new ATOM 0 HD11 ILE A 26 1.708 2.102 -0.260 1.00 10.20 H new ATOM 0 HD12 ILE A 26 2.328 3.699 0.222 1.00 10.20 H new ATOM 0 HD13 ILE A 26 1.587 2.629 1.436 1.00 10.20 H new ATOM 427 N ASP A 27 -1.044 7.911 0.985 1.00 1.54 N ATOM 428 CA ASP A 27 -1.158 9.170 1.742 1.00 74.34 C ATOM 429 C ASP A 27 -2.608 9.722 1.695 1.00 42.30 C ATOM 430 O ASP A 27 -3.145 10.148 2.732 1.00 54.44 O ATOM 431 CB ASP A 27 -0.129 10.200 1.199 1.00 20.50 C ATOM 432 CG ASP A 27 0.006 11.469 2.065 1.00 35.23 C ATOM 433 OD1 ASP A 27 0.834 11.474 3.003 1.00 43.22 O ATOM 434 OD2 ASP A 27 -0.722 12.452 1.815 1.00 2.13 O ATOM 0 H ASP A 27 -0.439 7.982 0.167 1.00 1.54 H new ATOM 0 HA ASP A 27 -0.930 8.978 2.790 1.00 74.34 H new ATOM 0 HB2 ASP A 27 0.846 9.719 1.124 1.00 20.50 H new ATOM 0 HB3 ASP A 27 -0.420 10.491 0.190 1.00 20.50 H new ATOM 439 N GLU A 28 -3.245 9.688 0.503 1.00 61.24 N ATOM 440 CA GLU A 28 -4.646 10.156 0.323 1.00 14.14 C ATOM 441 C GLU A 28 -5.663 9.109 0.816 1.00 23.25 C ATOM 442 O GLU A 28 -6.727 9.466 1.305 1.00 73.13 O ATOM 443 CB GLU A 28 -4.928 10.542 -1.158 1.00 54.14 C ATOM 444 CG GLU A 28 -4.752 9.399 -2.177 1.00 62.30 C ATOM 445 CD GLU A 28 -4.877 9.845 -3.639 1.00 62.02 C ATOM 446 OE1 GLU A 28 -3.902 10.404 -4.189 1.00 64.50 O ATOM 447 OE2 GLU A 28 -5.944 9.637 -4.250 1.00 13.03 O ATOM 0 H GLU A 28 -2.813 9.341 -0.353 1.00 61.24 H new ATOM 0 HA GLU A 28 -4.766 11.050 0.935 1.00 14.14 H new ATOM 0 HB2 GLU A 28 -5.948 10.919 -1.231 1.00 54.14 H new ATOM 0 HB3 GLU A 28 -4.265 11.361 -1.436 1.00 54.14 H new ATOM 0 HG2 GLU A 28 -3.774 8.941 -2.029 1.00 62.30 H new ATOM 0 HG3 GLU A 28 -5.497 8.629 -1.977 1.00 62.30 H new ATOM 454 N VAL A 29 -5.329 7.816 0.677 1.00 72.04 N ATOM 455 CA VAL A 29 -6.170 6.708 1.184 1.00 41.42 C ATOM 456 C VAL A 29 -6.092 6.650 2.719 1.00 24.33 C ATOM 457 O VAL A 29 -7.042 6.220 3.374 1.00 72.42 O ATOM 458 CB VAL A 29 -5.761 5.331 0.529 1.00 50.05 C ATOM 459 CG1 VAL A 29 -6.475 4.105 1.164 1.00 34.51 C ATOM 460 CG2 VAL A 29 -6.024 5.374 -0.991 1.00 63.23 C ATOM 0 H VAL A 29 -4.475 7.505 0.214 1.00 72.04 H new ATOM 0 HA VAL A 29 -7.205 6.898 0.900 1.00 41.42 H new ATOM 0 HB VAL A 29 -4.697 5.198 0.722 1.00 50.05 H new ATOM 0 HG11 VAL A 29 -6.146 3.194 0.665 1.00 34.51 H new ATOM 0 HG12 VAL A 29 -6.227 4.048 2.224 1.00 34.51 H new ATOM 0 HG13 VAL A 29 -7.554 4.212 1.049 1.00 34.51 H new ATOM 0 HG21 VAL A 29 -5.740 4.421 -1.437 1.00 63.23 H new ATOM 0 HG22 VAL A 29 -7.083 5.558 -1.172 1.00 63.23 H new ATOM 0 HG23 VAL A 29 -5.435 6.174 -1.440 1.00 63.23 H new ATOM 470 N GLU A 30 -4.971 7.144 3.273 1.00 2.31 N ATOM 471 CA GLU A 30 -4.745 7.198 4.719 1.00 63.31 C ATOM 472 C GLU A 30 -5.791 8.107 5.383 1.00 53.24 C ATOM 473 O GLU A 30 -6.410 7.705 6.361 1.00 20.21 O ATOM 474 CB GLU A 30 -3.311 7.689 5.040 1.00 2.43 C ATOM 475 CG GLU A 30 -2.955 7.731 6.535 1.00 60.23 C ATOM 476 CD GLU A 30 -1.506 8.158 6.774 1.00 34.13 C ATOM 477 OE1 GLU A 30 -1.203 9.362 6.613 1.00 23.52 O ATOM 478 OE2 GLU A 30 -0.656 7.299 7.081 1.00 43.11 O ATOM 0 H GLU A 30 -4.196 7.517 2.724 1.00 2.31 H new ATOM 0 HA GLU A 30 -4.850 6.190 5.121 1.00 63.31 H new ATOM 0 HB2 GLU A 30 -2.599 7.039 4.531 1.00 2.43 H new ATOM 0 HB3 GLU A 30 -3.184 8.689 4.624 1.00 2.43 H new ATOM 0 HG2 GLU A 30 -3.624 8.423 7.046 1.00 60.23 H new ATOM 0 HG3 GLU A 30 -3.118 6.746 6.973 1.00 60.23 H new ATOM 485 N ARG A 31 -6.028 9.306 4.794 1.00 14.31 N ATOM 486 CA ARG A 31 -6.990 10.299 5.345 1.00 11.41 C ATOM 487 C ARG A 31 -8.456 9.817 5.181 1.00 54.20 C ATOM 488 O ARG A 31 -9.357 10.314 5.874 1.00 13.44 O ATOM 489 CB ARG A 31 -6.778 11.721 4.738 1.00 15.15 C ATOM 490 CG ARG A 31 -7.030 11.866 3.216 1.00 11.32 C ATOM 491 CD ARG A 31 -6.846 13.307 2.697 1.00 55.42 C ATOM 492 NE ARG A 31 -7.802 14.248 3.307 1.00 2.40 N ATOM 493 CZ ARG A 31 -7.569 15.543 3.572 1.00 14.42 C ATOM 494 NH1 ARG A 31 -6.403 16.107 3.281 1.00 13.44 N ATOM 495 NH2 ARG A 31 -8.516 16.263 4.148 1.00 33.21 N ATOM 0 H ARG A 31 -5.567 9.610 3.937 1.00 14.31 H new ATOM 0 HA ARG A 31 -6.789 10.381 6.413 1.00 11.41 H new ATOM 0 HB2 ARG A 31 -7.435 12.417 5.261 1.00 15.15 H new ATOM 0 HB3 ARG A 31 -5.754 12.032 4.946 1.00 15.15 H new ATOM 0 HG2 ARG A 31 -6.350 11.205 2.678 1.00 11.32 H new ATOM 0 HG3 ARG A 31 -8.043 11.533 2.990 1.00 11.32 H new ATOM 0 HD2 ARG A 31 -5.829 13.639 2.906 1.00 55.42 H new ATOM 0 HD3 ARG A 31 -6.969 13.319 1.614 1.00 55.42 H new ATOM 0 HE ARG A 31 -8.723 13.883 3.549 1.00 2.40 H new ATOM 0 HH11 ARG A 31 -5.663 15.554 2.848 1.00 13.44 H new ATOM 0 HH12 ARG A 31 -6.247 17.093 3.491 1.00 13.44 H new ATOM 0 HH21 ARG A 31 -9.410 15.833 4.385 1.00 33.21 H new ATOM 0 HH22 ARG A 31 -8.353 17.248 4.355 1.00 33.21 H new ATOM 509 N GLU A 32 -8.683 8.857 4.253 1.00 33.50 N ATOM 510 CA GLU A 32 -9.987 8.168 4.104 1.00 52.40 C ATOM 511 C GLU A 32 -10.165 7.181 5.272 1.00 53.20 C ATOM 512 O GLU A 32 -11.194 7.172 5.953 1.00 15.13 O ATOM 513 CB GLU A 32 -10.082 7.402 2.742 1.00 75.32 C ATOM 514 CG GLU A 32 -9.618 8.188 1.496 1.00 42.40 C ATOM 515 CD GLU A 32 -10.345 9.525 1.274 1.00 1.12 C ATOM 516 OE1 GLU A 32 -11.411 9.533 0.620 1.00 12.30 O ATOM 517 OE2 GLU A 32 -9.849 10.573 1.742 1.00 72.22 O ATOM 0 H GLU A 32 -7.974 8.540 3.592 1.00 33.50 H new ATOM 0 HA GLU A 32 -10.779 8.917 4.116 1.00 52.40 H new ATOM 0 HB2 GLU A 32 -9.487 6.492 2.816 1.00 75.32 H new ATOM 0 HB3 GLU A 32 -11.117 7.095 2.590 1.00 75.32 H new ATOM 0 HG2 GLU A 32 -8.549 8.381 1.582 1.00 42.40 H new ATOM 0 HG3 GLU A 32 -9.759 7.562 0.615 1.00 42.40 H new ATOM 524 N VAL A 33 -9.113 6.377 5.504 1.00 13.41 N ATOM 525 CA VAL A 33 -9.069 5.357 6.569 1.00 14.24 C ATOM 526 C VAL A 33 -9.118 6.010 7.972 1.00 33.00 C ATOM 527 O VAL A 33 -9.638 5.406 8.905 1.00 44.15 O ATOM 528 CB VAL A 33 -7.783 4.445 6.413 1.00 51.02 C ATOM 529 CG1 VAL A 33 -7.573 3.493 7.621 1.00 23.11 C ATOM 530 CG2 VAL A 33 -7.831 3.637 5.084 1.00 13.35 C ATOM 0 H VAL A 33 -8.257 6.417 4.950 1.00 13.41 H new ATOM 0 HA VAL A 33 -9.951 4.725 6.468 1.00 14.24 H new ATOM 0 HB VAL A 33 -6.927 5.119 6.386 1.00 51.02 H new ATOM 0 HG11 VAL A 33 -6.678 2.892 7.460 1.00 23.11 H new ATOM 0 HG12 VAL A 33 -7.456 4.081 8.532 1.00 23.11 H new ATOM 0 HG13 VAL A 33 -8.437 2.836 7.721 1.00 23.11 H new ATOM 0 HG21 VAL A 33 -6.937 3.019 5.001 1.00 13.35 H new ATOM 0 HG22 VAL A 33 -8.715 2.999 5.078 1.00 13.35 H new ATOM 0 HG23 VAL A 33 -7.875 4.326 4.241 1.00 13.35 H new ATOM 540 N GLN A 34 -8.609 7.255 8.103 1.00 14.51 N ATOM 541 CA GLN A 34 -8.567 7.974 9.402 1.00 70.30 C ATOM 542 C GLN A 34 -9.967 8.161 10.009 1.00 73.23 C ATOM 543 O GLN A 34 -10.138 8.061 11.227 1.00 31.44 O ATOM 544 CB GLN A 34 -7.856 9.353 9.266 1.00 52.34 C ATOM 545 CG GLN A 34 -6.332 9.268 9.039 1.00 14.42 C ATOM 546 CD GLN A 34 -5.585 8.519 10.146 1.00 72.32 C ATOM 547 OE1 GLN A 34 -5.961 8.581 11.313 1.00 11.45 O ATOM 548 NE2 GLN A 34 -4.541 7.791 9.783 1.00 5.41 N ATOM 0 H GLN A 34 -8.220 7.787 7.324 1.00 14.51 H new ATOM 0 HA GLN A 34 -7.989 7.347 10.081 1.00 70.30 H new ATOM 0 HB2 GLN A 34 -8.304 9.898 8.435 1.00 52.34 H new ATOM 0 HB3 GLN A 34 -8.044 9.935 10.168 1.00 52.34 H new ATOM 0 HG2 GLN A 34 -6.143 8.773 8.086 1.00 14.42 H new ATOM 0 HG3 GLN A 34 -5.929 10.278 8.960 1.00 14.42 H new ATOM 0 HE21 GLN A 34 -4.255 7.762 8.804 1.00 5.41 H new ATOM 0 HE22 GLN A 34 -4.022 7.259 10.482 1.00 5.41 H new ATOM 557 N LYS A 35 -10.969 8.428 9.164 1.00 52.22 N ATOM 558 CA LYS A 35 -12.347 8.681 9.629 1.00 63.31 C ATOM 559 C LYS A 35 -13.172 7.376 9.709 1.00 24.23 C ATOM 560 O LYS A 35 -14.158 7.318 10.447 1.00 15.40 O ATOM 561 CB LYS A 35 -13.020 9.792 8.758 1.00 4.44 C ATOM 562 CG LYS A 35 -12.972 9.598 7.213 1.00 12.31 C ATOM 563 CD LYS A 35 -14.024 8.608 6.658 1.00 2.25 C ATOM 564 CE LYS A 35 -15.469 9.062 6.907 1.00 53.33 C ATOM 565 NZ LYS A 35 -16.453 8.081 6.382 1.00 4.31 N ATOM 0 H LYS A 35 -10.856 8.476 8.151 1.00 52.22 H new ATOM 0 HA LYS A 35 -12.309 9.061 10.650 1.00 63.31 H new ATOM 0 HB2 LYS A 35 -14.065 9.873 9.058 1.00 4.44 H new ATOM 0 HB3 LYS A 35 -12.546 10.744 8.996 1.00 4.44 H new ATOM 0 HG2 LYS A 35 -13.114 10.566 6.733 1.00 12.31 H new ATOM 0 HG3 LYS A 35 -11.978 9.247 6.934 1.00 12.31 H new ATOM 0 HD2 LYS A 35 -13.868 8.484 5.586 1.00 2.25 H new ATOM 0 HD3 LYS A 35 -13.872 7.631 7.117 1.00 2.25 H new ATOM 0 HE2 LYS A 35 -15.628 9.199 7.977 1.00 53.33 H new ATOM 0 HE3 LYS A 35 -15.633 10.030 6.434 1.00 53.33 H new ATOM 0 HZ1 LYS A 35 -17.417 8.423 6.569 1.00 4.31 H new ATOM 0 HZ2 LYS A 35 -16.318 7.969 5.357 1.00 4.31 H new ATOM 0 HZ3 LYS A 35 -16.313 7.164 6.852 1.00 4.31 H new ATOM 579 N GLN A 36 -12.767 6.340 8.946 1.00 14.40 N ATOM 580 CA GLN A 36 -13.426 5.008 8.974 1.00 14.21 C ATOM 581 C GLN A 36 -12.985 4.218 10.228 1.00 62.04 C ATOM 582 O GLN A 36 -13.812 3.716 11.007 1.00 34.43 O ATOM 583 CB GLN A 36 -13.053 4.208 7.696 1.00 60.45 C ATOM 584 CG GLN A 36 -13.418 4.892 6.367 1.00 61.52 C ATOM 585 CD GLN A 36 -12.988 4.100 5.127 1.00 23.55 C ATOM 586 OE1 GLN A 36 -12.000 3.360 5.147 1.00 31.00 O ATOM 587 NE2 GLN A 36 -13.720 4.255 4.040 1.00 70.44 N ATOM 0 H GLN A 36 -11.982 6.397 8.297 1.00 14.40 H new ATOM 0 HA GLN A 36 -14.506 5.153 9.008 1.00 14.21 H new ATOM 0 HB2 GLN A 36 -11.980 4.018 7.706 1.00 60.45 H new ATOM 0 HB3 GLN A 36 -13.549 3.238 7.736 1.00 60.45 H new ATOM 0 HG2 GLN A 36 -14.496 5.046 6.332 1.00 61.52 H new ATOM 0 HG3 GLN A 36 -12.954 5.878 6.337 1.00 61.52 H new ATOM 0 HE21 GLN A 36 -14.531 4.874 4.055 1.00 70.44 H new ATOM 0 HE22 GLN A 36 -13.475 3.756 3.185 1.00 70.44 H new ATOM 596 N TYR A 37 -11.661 4.107 10.382 1.00 73.05 N ATOM 597 CA TYR A 37 -10.993 3.453 11.517 1.00 42.33 C ATOM 598 C TYR A 37 -10.162 4.539 12.264 1.00 73.01 C ATOM 599 O TYR A 37 -8.998 4.772 11.907 1.00 2.13 O ATOM 600 CB TYR A 37 -10.059 2.308 11.017 1.00 50.14 C ATOM 601 CG TYR A 37 -10.640 1.343 9.959 1.00 20.25 C ATOM 602 CD1 TYR A 37 -10.678 1.695 8.603 1.00 2.05 C ATOM 603 CD2 TYR A 37 -11.129 0.079 10.303 1.00 52.03 C ATOM 604 CE1 TYR A 37 -11.167 0.827 7.643 1.00 3.42 C ATOM 605 CE2 TYR A 37 -11.613 -0.792 9.340 1.00 51.13 C ATOM 606 CZ TYR A 37 -11.636 -0.412 8.017 1.00 73.02 C ATOM 607 OH TYR A 37 -12.129 -1.279 7.066 1.00 62.41 O ATOM 0 H TYR A 37 -11.002 4.481 9.699 1.00 73.05 H new ATOM 0 HA TYR A 37 -11.731 3.009 12.185 1.00 42.33 H new ATOM 0 HB2 TYR A 37 -9.158 2.761 10.604 1.00 50.14 H new ATOM 0 HB3 TYR A 37 -9.752 1.719 11.881 1.00 50.14 H new ATOM 0 HD1 TYR A 37 -10.317 2.667 8.300 1.00 2.05 H new ATOM 0 HD2 TYR A 37 -11.129 -0.224 11.340 1.00 52.03 H new ATOM 0 HE1 TYR A 37 -11.181 1.120 6.604 1.00 3.42 H new ATOM 0 HE2 TYR A 37 -11.972 -1.769 9.627 1.00 51.13 H new ATOM 0 HH TYR A 37 -12.417 -2.110 7.499 1.00 62.41 H new ATOM 617 N PRO A 38 -10.761 5.259 13.270 1.00 50.01 N ATOM 618 CA PRO A 38 -10.111 6.431 13.929 1.00 54.31 C ATOM 619 C PRO A 38 -8.800 6.112 14.684 1.00 65.10 C ATOM 620 O PRO A 38 -7.899 6.961 14.758 1.00 34.33 O ATOM 621 CB PRO A 38 -11.218 6.961 14.881 1.00 52.32 C ATOM 622 CG PRO A 38 -12.123 5.788 15.114 1.00 21.43 C ATOM 623 CD PRO A 38 -12.129 5.027 13.813 1.00 11.20 C ATOM 0 HA PRO A 38 -9.775 7.159 13.190 1.00 54.31 H new ATOM 0 HB2 PRO A 38 -10.793 7.324 15.817 1.00 52.32 H new ATOM 0 HB3 PRO A 38 -11.759 7.794 14.432 1.00 52.32 H new ATOM 0 HG2 PRO A 38 -11.759 5.166 15.932 1.00 21.43 H new ATOM 0 HG3 PRO A 38 -13.128 6.114 15.384 1.00 21.43 H new ATOM 0 HD2 PRO A 38 -12.325 3.966 13.969 1.00 11.20 H new ATOM 0 HD3 PRO A 38 -12.898 5.397 13.135 1.00 11.20 H new ATOM 631 N ASN A 39 -8.690 4.898 15.236 1.00 1.41 N ATOM 632 CA ASN A 39 -7.527 4.481 16.055 1.00 75.01 C ATOM 633 C ASN A 39 -6.491 3.714 15.219 1.00 32.45 C ATOM 634 O ASN A 39 -5.453 3.311 15.749 1.00 10.22 O ATOM 635 CB ASN A 39 -7.991 3.629 17.261 1.00 23.33 C ATOM 636 CG ASN A 39 -8.939 4.386 18.193 1.00 43.15 C ATOM 637 OD1 ASN A 39 -10.156 4.358 18.016 1.00 1.42 O ATOM 638 ND2 ASN A 39 -8.387 5.092 19.171 1.00 42.50 N ATOM 0 H ASN A 39 -9.399 4.172 15.133 1.00 1.41 H new ATOM 0 HA ASN A 39 -7.045 5.384 16.428 1.00 75.01 H new ATOM 0 HB2 ASN A 39 -8.489 2.731 16.895 1.00 23.33 H new ATOM 0 HB3 ASN A 39 -7.118 3.302 17.826 1.00 23.33 H new ATOM 0 HD21 ASN A 39 -8.976 5.633 19.804 1.00 42.50 H new ATOM 0 HD22 ASN A 39 -7.374 5.093 19.290 1.00 42.50 H new ATOM 645 N ALA A 40 -6.769 3.519 13.912 1.00 61.41 N ATOM 646 CA ALA A 40 -5.855 2.804 13.006 1.00 15.31 C ATOM 647 C ALA A 40 -4.688 3.716 12.577 1.00 64.43 C ATOM 648 O ALA A 40 -4.890 4.906 12.291 1.00 10.14 O ATOM 649 CB ALA A 40 -6.609 2.268 11.788 1.00 14.42 C ATOM 0 H ALA A 40 -7.623 3.849 13.463 1.00 61.41 H new ATOM 0 HA ALA A 40 -5.437 1.953 13.544 1.00 15.31 H new ATOM 0 HB1 ALA A 40 -5.914 1.743 11.132 1.00 14.42 H new ATOM 0 HB2 ALA A 40 -7.388 1.580 12.116 1.00 14.42 H new ATOM 0 HB3 ALA A 40 -7.063 3.098 11.247 1.00 14.42 H new ATOM 655 N THR A 41 -3.470 3.153 12.544 1.00 71.41 N ATOM 656 CA THR A 41 -2.252 3.881 12.168 1.00 73.03 C ATOM 657 C THR A 41 -1.553 3.150 11.005 1.00 23.33 C ATOM 658 O THR A 41 -1.127 1.996 11.169 1.00 0.44 O ATOM 659 CB THR A 41 -1.295 3.974 13.403 1.00 51.21 C ATOM 660 OG1 THR A 41 -2.009 4.471 14.550 1.00 20.40 O ATOM 661 CG2 THR A 41 -0.070 4.874 13.134 1.00 21.10 C ATOM 0 H THR A 41 -3.304 2.174 12.779 1.00 71.41 H new ATOM 0 HA THR A 41 -2.512 4.889 11.846 1.00 73.03 H new ATOM 0 HB THR A 41 -0.931 2.965 13.596 1.00 51.21 H new ATOM 0 HG1 THR A 41 -1.401 4.523 15.317 1.00 20.40 H new ATOM 0 HG21 THR A 41 0.561 4.904 14.022 1.00 21.10 H new ATOM 0 HG22 THR A 41 0.500 4.471 12.297 1.00 21.10 H new ATOM 0 HG23 THR A 41 -0.406 5.883 12.893 1.00 21.10 H new ATOM 669 N ILE A 42 -1.466 3.811 9.833 1.00 13.31 N ATOM 670 CA ILE A 42 -0.786 3.261 8.650 1.00 21.34 C ATOM 671 C ILE A 42 0.661 3.785 8.620 1.00 14.41 C ATOM 672 O ILE A 42 0.893 4.958 8.310 1.00 15.03 O ATOM 673 CB ILE A 42 -1.520 3.659 7.313 1.00 4.41 C ATOM 674 CG1 ILE A 42 -3.036 3.255 7.354 1.00 22.52 C ATOM 675 CG2 ILE A 42 -0.805 3.026 6.085 1.00 33.31 C ATOM 676 CD1 ILE A 42 -3.834 3.702 6.140 1.00 42.40 C ATOM 0 H ILE A 42 -1.865 4.738 9.683 1.00 13.31 H new ATOM 0 HA ILE A 42 -0.800 2.173 8.722 1.00 21.34 H new ATOM 0 HB ILE A 42 -1.472 4.743 7.213 1.00 4.41 H new ATOM 0 HG12 ILE A 42 -3.109 2.171 7.444 1.00 22.52 H new ATOM 0 HG13 ILE A 42 -3.489 3.680 8.249 1.00 22.52 H new ATOM 0 HG21 ILE A 42 -1.327 3.313 5.172 1.00 33.31 H new ATOM 0 HG22 ILE A 42 0.225 3.381 6.041 1.00 33.31 H new ATOM 0 HG23 ILE A 42 -0.811 1.940 6.180 1.00 33.31 H new ATOM 0 HD11 ILE A 42 -4.871 3.383 6.248 1.00 42.40 H new ATOM 0 HD12 ILE A 42 -3.795 4.788 6.059 1.00 42.40 H new ATOM 0 HD13 ILE A 42 -3.409 3.256 5.241 1.00 42.40 H new ATOM 688 N THR A 43 1.609 2.929 8.996 1.00 21.21 N ATOM 689 CA THR A 43 3.043 3.176 8.832 1.00 5.52 C ATOM 690 C THR A 43 3.467 2.595 7.466 1.00 71.32 C ATOM 691 O THR A 43 3.298 1.400 7.228 1.00 64.34 O ATOM 692 CB THR A 43 3.842 2.509 10.005 1.00 22.10 C ATOM 693 OG1 THR A 43 3.302 2.938 11.275 1.00 1.23 O ATOM 694 CG2 THR A 43 5.348 2.828 9.954 1.00 44.22 C ATOM 0 H THR A 43 1.401 2.030 9.430 1.00 21.21 H new ATOM 0 HA THR A 43 3.258 4.244 8.859 1.00 5.52 H new ATOM 0 HB THR A 43 3.732 1.430 9.892 1.00 22.10 H new ATOM 0 HG1 THR A 43 3.804 2.516 12.003 1.00 1.23 H new ATOM 0 HG21 THR A 43 5.852 2.341 10.789 1.00 44.22 H new ATOM 0 HG22 THR A 43 5.766 2.463 9.016 1.00 44.22 H new ATOM 0 HG23 THR A 43 5.494 3.906 10.021 1.00 44.22 H new ATOM 702 N ARG A 44 3.995 3.444 6.568 1.00 50.32 N ATOM 703 CA ARG A 44 4.286 3.065 5.173 1.00 63.45 C ATOM 704 C ARG A 44 5.675 3.572 4.765 1.00 73.43 C ATOM 705 O ARG A 44 5.991 4.754 4.938 1.00 0.22 O ATOM 706 CB ARG A 44 3.171 3.552 4.190 1.00 53.42 C ATOM 707 CG ARG A 44 2.936 5.087 4.059 1.00 1.22 C ATOM 708 CD ARG A 44 2.499 5.782 5.372 1.00 31.31 C ATOM 709 NE ARG A 44 1.543 6.885 5.167 1.00 73.12 N ATOM 710 CZ ARG A 44 1.776 8.051 4.538 1.00 63.34 C ATOM 711 NH1 ARG A 44 2.954 8.328 3.991 1.00 21.11 N ATOM 712 NH2 ARG A 44 0.812 8.951 4.480 1.00 43.41 N ATOM 0 H ARG A 44 4.232 4.411 6.787 1.00 50.32 H new ATOM 0 HA ARG A 44 4.292 1.977 5.111 1.00 63.45 H new ATOM 0 HB2 ARG A 44 3.406 3.164 3.199 1.00 53.42 H new ATOM 0 HB3 ARG A 44 2.231 3.094 4.497 1.00 53.42 H new ATOM 0 HG2 ARG A 44 3.855 5.554 3.704 1.00 1.22 H new ATOM 0 HG3 ARG A 44 2.175 5.262 3.299 1.00 1.22 H new ATOM 0 HD2 ARG A 44 2.049 5.041 6.033 1.00 31.31 H new ATOM 0 HD3 ARG A 44 3.383 6.168 5.880 1.00 31.31 H new ATOM 0 HE ARG A 44 0.604 6.750 5.542 1.00 73.12 H new ATOM 0 HH11 ARG A 44 3.712 7.648 4.041 1.00 21.11 H new ATOM 0 HH12 ARG A 44 3.100 9.221 3.521 1.00 21.11 H new ATOM 0 HH21 ARG A 44 -0.093 8.757 4.908 1.00 43.41 H new ATOM 0 HH22 ARG A 44 0.972 9.840 4.007 1.00 43.41 H new ATOM 726 N THR A 45 6.505 2.650 4.251 1.00 32.43 N ATOM 727 CA THR A 45 7.908 2.916 3.895 1.00 12.24 C ATOM 728 C THR A 45 8.230 2.317 2.513 1.00 72.32 C ATOM 729 O THR A 45 8.157 1.102 2.330 1.00 0.43 O ATOM 730 CB THR A 45 8.867 2.307 4.980 1.00 74.00 C ATOM 731 OG1 THR A 45 8.502 2.788 6.289 1.00 62.25 O ATOM 732 CG2 THR A 45 10.348 2.640 4.710 1.00 70.41 C ATOM 0 H THR A 45 6.217 1.688 4.069 1.00 32.43 H new ATOM 0 HA THR A 45 8.059 3.995 3.855 1.00 12.24 H new ATOM 0 HB THR A 45 8.755 1.224 4.931 1.00 74.00 H new ATOM 0 HG1 THR A 45 9.104 2.402 6.959 1.00 62.25 H new ATOM 0 HG21 THR A 45 10.969 2.196 5.488 1.00 70.41 H new ATOM 0 HG22 THR A 45 10.640 2.238 3.740 1.00 70.41 H new ATOM 0 HG23 THR A 45 10.484 3.722 4.711 1.00 70.41 H new ATOM 740 N LEU A 46 8.578 3.183 1.544 1.00 13.24 N ATOM 741 CA LEU A 46 8.961 2.762 0.184 1.00 44.14 C ATOM 742 C LEU A 46 10.471 2.948 -0.004 1.00 23.13 C ATOM 743 O LEU A 46 11.016 4.025 0.280 1.00 13.20 O ATOM 744 CB LEU A 46 8.192 3.561 -0.909 1.00 53.11 C ATOM 745 CG LEU A 46 6.635 3.376 -0.956 1.00 24.34 C ATOM 746 CD1 LEU A 46 5.897 4.150 0.172 1.00 75.31 C ATOM 747 CD2 LEU A 46 6.090 3.753 -2.346 1.00 23.34 C ATOM 0 H LEU A 46 8.602 4.193 1.682 1.00 13.24 H new ATOM 0 HA LEU A 46 8.697 1.710 0.072 1.00 44.14 H new ATOM 0 HB2 LEU A 46 8.404 4.621 -0.768 1.00 53.11 H new ATOM 0 HB3 LEU A 46 8.597 3.282 -1.882 1.00 53.11 H new ATOM 0 HG LEU A 46 6.434 2.320 -0.776 1.00 24.34 H new ATOM 0 HD11 LEU A 46 4.823 3.982 0.086 1.00 75.31 H new ATOM 0 HD12 LEU A 46 6.243 3.796 1.143 1.00 75.31 H new ATOM 0 HD13 LEU A 46 6.106 5.216 0.079 1.00 75.31 H new ATOM 0 HD21 LEU A 46 5.008 3.619 -2.361 1.00 23.34 H new ATOM 0 HD22 LEU A 46 6.330 4.794 -2.561 1.00 23.34 H new ATOM 0 HD23 LEU A 46 6.546 3.113 -3.101 1.00 23.34 H new ATOM 759 N THR A 47 11.142 1.883 -0.458 1.00 64.22 N ATOM 760 CA THR A 47 12.560 1.900 -0.826 1.00 31.24 C ATOM 761 C THR A 47 12.753 0.980 -2.042 1.00 44.42 C ATOM 762 O THR A 47 12.342 -0.179 -2.007 1.00 50.40 O ATOM 763 CB THR A 47 13.467 1.441 0.373 1.00 4.30 C ATOM 764 OG1 THR A 47 13.329 2.367 1.470 1.00 40.32 O ATOM 765 CG2 THR A 47 14.957 1.337 -0.022 1.00 25.42 C ATOM 0 H THR A 47 10.706 0.969 -0.582 1.00 64.22 H new ATOM 0 HA THR A 47 12.859 2.918 -1.077 1.00 31.24 H new ATOM 0 HB THR A 47 13.132 0.447 0.669 1.00 4.30 H new ATOM 0 HG1 THR A 47 13.894 2.077 2.216 1.00 40.32 H new ATOM 0 HG21 THR A 47 15.541 1.017 0.841 1.00 25.42 H new ATOM 0 HG22 THR A 47 15.070 0.611 -0.827 1.00 25.42 H new ATOM 0 HG23 THR A 47 15.313 2.311 -0.359 1.00 25.42 H new ATOM 773 N ARG A 48 13.400 1.497 -3.096 1.00 23.44 N ATOM 774 CA ARG A 48 13.568 0.775 -4.359 1.00 74.10 C ATOM 775 C ARG A 48 14.763 -0.178 -4.256 1.00 54.22 C ATOM 776 O ARG A 48 15.924 0.245 -4.301 1.00 12.30 O ATOM 777 CB ARG A 48 13.729 1.791 -5.524 1.00 25.13 C ATOM 778 CG ARG A 48 12.392 2.386 -6.000 1.00 55.35 C ATOM 779 CD ARG A 48 12.567 3.566 -6.961 1.00 33.03 C ATOM 780 NE ARG A 48 12.808 4.833 -6.256 1.00 13.44 N ATOM 781 CZ ARG A 48 13.513 5.870 -6.721 1.00 74.14 C ATOM 782 NH1 ARG A 48 14.109 5.817 -7.909 1.00 61.15 N ATOM 783 NH2 ARG A 48 13.582 6.972 -5.994 1.00 21.25 N ATOM 0 H ARG A 48 13.820 2.426 -3.094 1.00 23.44 H new ATOM 0 HA ARG A 48 12.684 0.172 -4.566 1.00 74.10 H new ATOM 0 HB2 ARG A 48 14.385 2.600 -5.204 1.00 25.13 H new ATOM 0 HB3 ARG A 48 14.218 1.297 -6.363 1.00 25.13 H new ATOM 0 HG2 ARG A 48 11.810 1.607 -6.493 1.00 55.35 H new ATOM 0 HG3 ARG A 48 11.818 2.713 -5.133 1.00 55.35 H new ATOM 0 HD2 ARG A 48 13.401 3.363 -7.633 1.00 33.03 H new ATOM 0 HD3 ARG A 48 11.675 3.662 -7.580 1.00 33.03 H new ATOM 0 HE ARG A 48 12.400 4.930 -5.326 1.00 13.44 H new ATOM 0 HH11 ARG A 48 14.032 4.976 -8.481 1.00 61.15 H new ATOM 0 HH12 ARG A 48 14.643 6.617 -8.248 1.00 61.15 H new ATOM 0 HH21 ARG A 48 13.102 7.021 -5.095 1.00 21.25 H new ATOM 0 HH22 ARG A 48 14.115 7.773 -6.332 1.00 21.25 H new ATOM 797 N ASP A 49 14.433 -1.460 -4.061 1.00 22.12 N ATOM 798 CA ASP A 49 15.390 -2.567 -4.023 1.00 31.21 C ATOM 799 C ASP A 49 15.853 -2.879 -5.454 1.00 71.11 C ATOM 800 O ASP A 49 15.244 -3.701 -6.155 1.00 35.24 O ATOM 801 CB ASP A 49 14.725 -3.801 -3.353 1.00 63.22 C ATOM 802 CG ASP A 49 15.669 -5.002 -3.185 1.00 43.31 C ATOM 803 OD1 ASP A 49 16.658 -4.887 -2.427 1.00 70.43 O ATOM 804 OD2 ASP A 49 15.414 -6.069 -3.785 1.00 3.24 O ATOM 0 H ASP A 49 13.469 -1.762 -3.922 1.00 22.12 H new ATOM 0 HA ASP A 49 16.265 -2.297 -3.433 1.00 31.21 H new ATOM 0 HB2 ASP A 49 14.345 -3.510 -2.374 1.00 63.22 H new ATOM 0 HB3 ASP A 49 13.866 -4.107 -3.950 1.00 63.22 H new ATOM 809 N ASP A 50 16.902 -2.139 -5.871 1.00 44.20 N ATOM 810 CA ASP A 50 17.518 -2.192 -7.216 1.00 5.14 C ATOM 811 C ASP A 50 16.562 -1.643 -8.295 1.00 33.22 C ATOM 812 O ASP A 50 16.710 -0.495 -8.735 1.00 4.34 O ATOM 813 CB ASP A 50 18.047 -3.617 -7.563 1.00 20.55 C ATOM 814 CG ASP A 50 19.041 -4.159 -6.515 1.00 41.31 C ATOM 815 OD1 ASP A 50 20.215 -3.717 -6.496 1.00 23.23 O ATOM 816 OD2 ASP A 50 18.645 -5.013 -5.689 1.00 72.42 O ATOM 0 H ASP A 50 17.360 -1.464 -5.259 1.00 44.20 H new ATOM 0 HA ASP A 50 18.390 -1.538 -7.199 1.00 5.14 H new ATOM 0 HB2 ASP A 50 17.203 -4.302 -7.645 1.00 20.55 H new ATOM 0 HB3 ASP A 50 18.533 -3.591 -8.538 1.00 20.55 H new ATOM 821 N GLY A 51 15.573 -2.456 -8.693 1.00 4.10 N ATOM 822 CA GLY A 51 14.568 -2.063 -9.691 1.00 51.34 C ATOM 823 C GLY A 51 13.140 -2.360 -9.244 1.00 10.11 C ATOM 824 O GLY A 51 12.183 -1.953 -9.904 1.00 21.15 O ATOM 0 H GLY A 51 15.447 -3.402 -8.333 1.00 4.10 H new ATOM 0 HA2 GLY A 51 14.665 -0.997 -9.896 1.00 51.34 H new ATOM 0 HA3 GLY A 51 14.767 -2.587 -10.626 1.00 51.34 H new ATOM 828 N THR A 52 12.995 -3.083 -8.124 1.00 50.10 N ATOM 829 CA THR A 52 11.692 -3.429 -7.537 1.00 2.00 C ATOM 830 C THR A 52 11.460 -2.580 -6.273 1.00 52.42 C ATOM 831 O THR A 52 12.305 -2.559 -5.388 1.00 72.21 O ATOM 832 CB THR A 52 11.649 -4.960 -7.206 1.00 73.21 C ATOM 833 OG1 THR A 52 11.854 -5.709 -8.411 1.00 44.11 O ATOM 834 CG2 THR A 52 10.327 -5.404 -6.571 1.00 24.35 C ATOM 0 H THR A 52 13.787 -3.448 -7.595 1.00 50.10 H new ATOM 0 HA THR A 52 10.895 -3.215 -8.249 1.00 2.00 H new ATOM 0 HB THR A 52 12.439 -5.148 -6.479 1.00 73.21 H new ATOM 0 HG1 THR A 52 11.830 -6.668 -8.209 1.00 44.11 H new ATOM 0 HG21 THR A 52 10.363 -6.474 -6.367 1.00 24.35 H new ATOM 0 HG22 THR A 52 10.171 -4.862 -5.638 1.00 24.35 H new ATOM 0 HG23 THR A 52 9.505 -5.193 -7.255 1.00 24.35 H new ATOM 842 N VAL A 53 10.297 -1.908 -6.190 1.00 33.12 N ATOM 843 CA VAL A 53 9.952 -1.026 -5.055 1.00 24.32 C ATOM 844 C VAL A 53 9.447 -1.886 -3.898 1.00 4.34 C ATOM 845 O VAL A 53 8.422 -2.536 -4.037 1.00 41.21 O ATOM 846 CB VAL A 53 8.806 0.004 -5.426 1.00 55.22 C ATOM 847 CG1 VAL A 53 8.570 1.025 -4.278 1.00 71.13 C ATOM 848 CG2 VAL A 53 9.103 0.714 -6.758 1.00 23.11 C ATOM 0 H VAL A 53 9.571 -1.959 -6.904 1.00 33.12 H new ATOM 0 HA VAL A 53 10.849 -0.468 -4.788 1.00 24.32 H new ATOM 0 HB VAL A 53 7.883 -0.562 -5.555 1.00 55.22 H new ATOM 0 HG11 VAL A 53 7.778 1.717 -4.564 1.00 71.13 H new ATOM 0 HG12 VAL A 53 8.278 0.493 -3.373 1.00 71.13 H new ATOM 0 HG13 VAL A 53 9.488 1.581 -4.091 1.00 71.13 H new ATOM 0 HG21 VAL A 53 8.299 1.414 -6.985 1.00 23.11 H new ATOM 0 HG22 VAL A 53 10.045 1.257 -6.679 1.00 23.11 H new ATOM 0 HG23 VAL A 53 9.176 -0.025 -7.556 1.00 23.11 H new ATOM 858 N GLU A 54 10.159 -1.899 -2.769 1.00 12.34 N ATOM 859 CA GLU A 54 9.711 -2.626 -1.581 1.00 52.45 C ATOM 860 C GLU A 54 8.861 -1.678 -0.723 1.00 12.34 C ATOM 861 O GLU A 54 9.376 -0.707 -0.144 1.00 2.40 O ATOM 862 CB GLU A 54 10.900 -3.183 -0.755 1.00 35.24 C ATOM 863 CG GLU A 54 10.443 -4.079 0.421 1.00 12.33 C ATOM 864 CD GLU A 54 11.575 -4.524 1.353 1.00 53.42 C ATOM 865 OE1 GLU A 54 12.058 -3.690 2.144 1.00 32.34 O ATOM 866 OE2 GLU A 54 11.967 -5.709 1.324 1.00 31.31 O ATOM 0 H GLU A 54 11.049 -1.414 -2.653 1.00 12.34 H new ATOM 0 HA GLU A 54 9.120 -3.485 -1.899 1.00 52.45 H new ATOM 0 HB2 GLU A 54 11.555 -3.757 -1.410 1.00 35.24 H new ATOM 0 HB3 GLU A 54 11.488 -2.352 -0.366 1.00 35.24 H new ATOM 0 HG2 GLU A 54 9.698 -3.539 1.006 1.00 12.33 H new ATOM 0 HG3 GLU A 54 9.951 -4.964 0.018 1.00 12.33 H new ATOM 873 N LEU A 55 7.556 -1.946 -0.699 1.00 20.33 N ATOM 874 CA LEU A 55 6.593 -1.226 0.127 1.00 62.43 C ATOM 875 C LEU A 55 6.389 -1.988 1.446 1.00 50.02 C ATOM 876 O LEU A 55 6.149 -3.202 1.451 1.00 0.44 O ATOM 877 CB LEU A 55 5.254 -1.076 -0.637 1.00 34.12 C ATOM 878 CG LEU A 55 4.064 -0.505 0.183 1.00 53.22 C ATOM 879 CD1 LEU A 55 4.374 0.901 0.741 1.00 53.53 C ATOM 880 CD2 LEU A 55 2.755 -0.531 -0.639 1.00 3.24 C ATOM 0 H LEU A 55 7.133 -2.683 -1.264 1.00 20.33 H new ATOM 0 HA LEU A 55 6.970 -0.228 0.352 1.00 62.43 H new ATOM 0 HB2 LEU A 55 5.420 -0.429 -1.498 1.00 34.12 H new ATOM 0 HB3 LEU A 55 4.967 -2.054 -1.024 1.00 34.12 H new ATOM 0 HG LEU A 55 3.916 -1.155 1.045 1.00 53.22 H new ATOM 0 HD11 LEU A 55 3.517 1.265 1.308 1.00 53.53 H new ATOM 0 HD12 LEU A 55 5.245 0.849 1.394 1.00 53.53 H new ATOM 0 HD13 LEU A 55 4.579 1.583 -0.084 1.00 53.53 H new ATOM 0 HD21 LEU A 55 1.940 -0.125 -0.039 1.00 3.24 H new ATOM 0 HD22 LEU A 55 2.878 0.072 -1.539 1.00 3.24 H new ATOM 0 HD23 LEU A 55 2.522 -1.558 -0.920 1.00 3.24 H new ATOM 892 N ARG A 56 6.512 -1.256 2.556 1.00 64.33 N ATOM 893 CA ARG A 56 6.295 -1.778 3.910 1.00 73.12 C ATOM 894 C ARG A 56 4.996 -1.175 4.446 1.00 4.14 C ATOM 895 O ARG A 56 4.963 0.009 4.787 1.00 22.42 O ATOM 896 CB ARG A 56 7.493 -1.401 4.839 1.00 54.53 C ATOM 897 CG ARG A 56 8.897 -1.715 4.267 1.00 1.53 C ATOM 898 CD ARG A 56 9.063 -3.182 3.835 1.00 14.02 C ATOM 899 NE ARG A 56 8.735 -4.131 4.917 1.00 44.34 N ATOM 900 CZ ARG A 56 9.123 -5.413 4.973 1.00 52.55 C ATOM 901 NH1 ARG A 56 9.883 -5.935 4.016 1.00 13.53 N ATOM 902 NH2 ARG A 56 8.733 -6.165 5.992 1.00 41.02 N ATOM 0 H ARG A 56 6.769 -0.269 2.540 1.00 64.33 H new ATOM 0 HA ARG A 56 6.223 -2.865 3.885 1.00 73.12 H new ATOM 0 HB2 ARG A 56 7.439 -0.335 5.060 1.00 54.53 H new ATOM 0 HB3 ARG A 56 7.378 -1.929 5.786 1.00 54.53 H new ATOM 0 HG2 ARG A 56 9.086 -1.068 3.411 1.00 1.53 H new ATOM 0 HG3 ARG A 56 9.650 -1.477 5.019 1.00 1.53 H new ATOM 0 HD2 ARG A 56 8.421 -3.379 2.976 1.00 14.02 H new ATOM 0 HD3 ARG A 56 10.090 -3.348 3.510 1.00 14.02 H new ATOM 0 HE ARG A 56 8.165 -3.782 5.687 1.00 44.34 H new ATOM 0 HH11 ARG A 56 10.178 -5.359 3.228 1.00 13.53 H new ATOM 0 HH12 ARG A 56 10.172 -6.912 4.070 1.00 13.53 H new ATOM 0 HH21 ARG A 56 8.144 -5.767 6.723 1.00 41.02 H new ATOM 0 HH22 ARG A 56 9.022 -7.142 6.045 1.00 41.02 H new ATOM 916 N ILE A 57 3.916 -1.964 4.460 1.00 53.41 N ATOM 917 CA ILE A 57 2.636 -1.552 5.058 1.00 53.35 C ATOM 918 C ILE A 57 2.514 -2.194 6.442 1.00 32.40 C ATOM 919 O ILE A 57 2.452 -3.415 6.572 1.00 63.53 O ATOM 920 CB ILE A 57 1.407 -1.933 4.150 1.00 74.24 C ATOM 921 CG1 ILE A 57 1.444 -1.156 2.807 1.00 24.41 C ATOM 922 CG2 ILE A 57 0.056 -1.693 4.872 1.00 75.24 C ATOM 923 CD1 ILE A 57 1.331 0.358 2.947 1.00 44.32 C ATOM 0 H ILE A 57 3.902 -2.902 4.060 1.00 53.41 H new ATOM 0 HA ILE A 57 2.625 -0.466 5.149 1.00 53.35 H new ATOM 0 HB ILE A 57 1.487 -3.000 3.940 1.00 74.24 H new ATOM 0 HG12 ILE A 57 2.375 -1.392 2.291 1.00 24.41 H new ATOM 0 HG13 ILE A 57 0.631 -1.511 2.174 1.00 24.41 H new ATOM 0 HG21 ILE A 57 -0.765 -1.969 4.210 1.00 75.24 H new ATOM 0 HG22 ILE A 57 0.013 -2.301 5.775 1.00 75.24 H new ATOM 0 HG23 ILE A 57 -0.032 -0.640 5.139 1.00 75.24 H new ATOM 0 HD11 ILE A 57 1.366 0.818 1.960 1.00 44.32 H new ATOM 0 HD12 ILE A 57 0.387 0.609 3.431 1.00 44.32 H new ATOM 0 HD13 ILE A 57 2.159 0.730 3.550 1.00 44.32 H new ATOM 935 N LYS A 58 2.499 -1.346 7.460 1.00 21.52 N ATOM 936 CA LYS A 58 2.418 -1.741 8.857 1.00 65.14 C ATOM 937 C LYS A 58 1.203 -1.029 9.464 1.00 2.01 C ATOM 938 O LYS A 58 1.260 0.164 9.750 1.00 53.41 O ATOM 939 CB LYS A 58 3.757 -1.339 9.547 1.00 13.01 C ATOM 940 CG LYS A 58 3.814 -1.574 11.066 1.00 54.01 C ATOM 941 CD LYS A 58 5.156 -1.139 11.700 1.00 32.33 C ATOM 942 CE LYS A 58 5.167 -1.313 13.229 1.00 2.34 C ATOM 943 NZ LYS A 58 6.450 -0.879 13.832 1.00 11.35 N ATOM 0 H LYS A 58 2.544 -0.335 7.332 1.00 21.52 H new ATOM 0 HA LYS A 58 2.286 -2.815 8.989 1.00 65.14 H new ATOM 0 HB2 LYS A 58 4.568 -1.897 9.080 1.00 13.01 H new ATOM 0 HB3 LYS A 58 3.943 -0.283 9.353 1.00 13.01 H new ATOM 0 HG2 LYS A 58 3.000 -1.027 11.542 1.00 54.01 H new ATOM 0 HG3 LYS A 58 3.649 -2.632 11.270 1.00 54.01 H new ATOM 0 HD2 LYS A 58 5.967 -1.724 11.265 1.00 32.33 H new ATOM 0 HD3 LYS A 58 5.349 -0.095 11.455 1.00 32.33 H new ATOM 0 HE2 LYS A 58 4.350 -0.738 13.664 1.00 2.34 H new ATOM 0 HE3 LYS A 58 4.987 -2.359 13.475 1.00 2.34 H new ATOM 0 HZ1 LYS A 58 6.412 -1.014 14.863 1.00 11.35 H new ATOM 0 HZ2 LYS A 58 7.228 -1.445 13.437 1.00 11.35 H new ATOM 0 HZ3 LYS A 58 6.611 0.126 13.620 1.00 11.35 H new ATOM 957 N VAL A 59 0.091 -1.761 9.622 1.00 4.33 N ATOM 958 CA VAL A 59 -1.178 -1.197 10.110 1.00 51.44 C ATOM 959 C VAL A 59 -1.453 -1.698 11.530 1.00 70.35 C ATOM 960 O VAL A 59 -1.651 -2.898 11.747 1.00 72.41 O ATOM 961 CB VAL A 59 -2.391 -1.558 9.165 1.00 1.31 C ATOM 962 CG1 VAL A 59 -3.730 -1.004 9.718 1.00 71.11 C ATOM 963 CG2 VAL A 59 -2.136 -1.047 7.725 1.00 44.53 C ATOM 0 H VAL A 59 0.045 -2.759 9.416 1.00 4.33 H new ATOM 0 HA VAL A 59 -1.079 -0.111 10.112 1.00 51.44 H new ATOM 0 HB VAL A 59 -2.473 -2.644 9.135 1.00 1.31 H new ATOM 0 HG11 VAL A 59 -4.542 -1.272 9.042 1.00 71.11 H new ATOM 0 HG12 VAL A 59 -3.922 -1.431 10.702 1.00 71.11 H new ATOM 0 HG13 VAL A 59 -3.669 0.081 9.799 1.00 71.11 H new ATOM 0 HG21 VAL A 59 -2.984 -1.307 7.091 1.00 44.53 H new ATOM 0 HG22 VAL A 59 -2.012 0.036 7.740 1.00 44.53 H new ATOM 0 HG23 VAL A 59 -1.232 -1.510 7.329 1.00 44.53 H new ATOM 973 N LYS A 60 -1.441 -0.765 12.490 1.00 14.30 N ATOM 974 CA LYS A 60 -1.880 -1.022 13.857 1.00 12.34 C ATOM 975 C LYS A 60 -3.381 -0.725 13.933 1.00 54.34 C ATOM 976 O LYS A 60 -3.785 0.436 13.819 1.00 1.32 O ATOM 977 CB LYS A 60 -1.091 -0.125 14.846 1.00 1.22 C ATOM 978 CG LYS A 60 -1.422 -0.376 16.341 1.00 42.24 C ATOM 979 CD LYS A 60 -0.760 0.659 17.279 1.00 54.32 C ATOM 980 CE LYS A 60 -1.304 2.080 17.049 1.00 41.24 C ATOM 981 NZ LYS A 60 -0.552 3.094 17.823 1.00 62.41 N ATOM 0 H LYS A 60 -1.124 0.192 12.334 1.00 14.30 H new ATOM 0 HA LYS A 60 -1.694 -2.061 14.131 1.00 12.34 H new ATOM 0 HB2 LYS A 60 -0.024 -0.285 14.691 1.00 1.22 H new ATOM 0 HB3 LYS A 60 -1.294 0.920 14.612 1.00 1.22 H new ATOM 0 HG2 LYS A 60 -2.503 -0.347 16.480 1.00 42.24 H new ATOM 0 HG3 LYS A 60 -1.091 -1.377 16.619 1.00 42.24 H new ATOM 0 HD2 LYS A 60 -0.931 0.369 18.316 1.00 54.32 H new ATOM 0 HD3 LYS A 60 0.318 0.654 17.120 1.00 54.32 H new ATOM 0 HE2 LYS A 60 -1.250 2.321 15.987 1.00 41.24 H new ATOM 0 HE3 LYS A 60 -2.356 2.115 17.331 1.00 41.24 H new ATOM 0 HZ1 LYS A 60 -0.951 4.037 17.639 1.00 62.41 H new ATOM 0 HZ2 LYS A 60 -0.624 2.879 18.838 1.00 62.41 H new ATOM 0 HZ3 LYS A 60 0.447 3.079 17.536 1.00 62.41 H new ATOM 995 N ALA A 61 -4.195 -1.769 14.107 1.00 20.32 N ATOM 996 CA ALA A 61 -5.661 -1.656 14.179 1.00 43.41 C ATOM 997 C ALA A 61 -6.203 -2.655 15.216 1.00 4.00 C ATOM 998 O ALA A 61 -5.433 -3.416 15.813 1.00 42.04 O ATOM 999 CB ALA A 61 -6.289 -1.869 12.787 1.00 62.04 C ATOM 0 H ALA A 61 -3.856 -2.726 14.203 1.00 20.32 H new ATOM 0 HA ALA A 61 -5.936 -0.652 14.502 1.00 43.41 H new ATOM 0 HB1 ALA A 61 -7.373 -1.782 12.860 1.00 62.04 H new ATOM 0 HB2 ALA A 61 -5.910 -1.115 12.097 1.00 62.04 H new ATOM 0 HB3 ALA A 61 -6.029 -2.861 12.418 1.00 62.04 H new ATOM 1005 N ASP A 62 -7.528 -2.630 15.410 1.00 54.40 N ATOM 1006 CA ASP A 62 -8.233 -3.415 16.442 1.00 40.31 C ATOM 1007 C ASP A 62 -8.044 -4.935 16.220 1.00 4.12 C ATOM 1008 O ASP A 62 -7.370 -5.603 17.015 1.00 35.25 O ATOM 1009 CB ASP A 62 -9.737 -3.031 16.429 1.00 54.33 C ATOM 1010 CG ASP A 62 -10.588 -3.747 17.495 1.00 13.44 C ATOM 1011 OD1 ASP A 62 -10.545 -3.347 18.676 1.00 5.12 O ATOM 1012 OD2 ASP A 62 -11.299 -4.714 17.153 1.00 30.12 O ATOM 0 H ASP A 62 -8.154 -2.055 14.847 1.00 54.40 H new ATOM 0 HA ASP A 62 -7.809 -3.182 17.419 1.00 40.31 H new ATOM 0 HB2 ASP A 62 -9.825 -1.954 16.575 1.00 54.33 H new ATOM 0 HB3 ASP A 62 -10.148 -3.254 15.444 1.00 54.33 H new ATOM 1017 N THR A 63 -8.628 -5.462 15.127 1.00 23.44 N ATOM 1018 CA THR A 63 -8.539 -6.899 14.770 1.00 71.01 C ATOM 1019 C THR A 63 -7.704 -7.109 13.493 1.00 24.22 C ATOM 1020 O THR A 63 -7.478 -6.166 12.728 1.00 72.43 O ATOM 1021 CB THR A 63 -9.964 -7.515 14.563 1.00 44.00 C ATOM 1022 OG1 THR A 63 -10.744 -6.655 13.719 1.00 0.01 O ATOM 1023 CG2 THR A 63 -10.704 -7.773 15.886 1.00 74.10 C ATOM 0 H THR A 63 -9.174 -4.909 14.466 1.00 23.44 H new ATOM 0 HA THR A 63 -8.046 -7.405 15.600 1.00 71.01 H new ATOM 0 HB THR A 63 -9.829 -8.486 14.087 1.00 44.00 H new ATOM 0 HG1 THR A 63 -11.634 -7.043 13.590 1.00 0.01 H new ATOM 0 HG21 THR A 63 -11.685 -8.200 15.677 1.00 74.10 H new ATOM 0 HG22 THR A 63 -10.128 -8.469 16.495 1.00 74.10 H new ATOM 0 HG23 THR A 63 -10.825 -6.833 16.425 1.00 74.10 H new ATOM 1031 N GLU A 64 -7.276 -8.372 13.266 1.00 30.30 N ATOM 1032 CA GLU A 64 -6.472 -8.776 12.093 1.00 41.11 C ATOM 1033 C GLU A 64 -7.255 -8.561 10.786 1.00 34.35 C ATOM 1034 O GLU A 64 -6.672 -8.189 9.759 1.00 5.22 O ATOM 1035 CB GLU A 64 -6.047 -10.274 12.224 1.00 50.32 C ATOM 1036 CG GLU A 64 -7.241 -11.243 12.219 1.00 13.45 C ATOM 1037 CD GLU A 64 -6.868 -12.718 12.175 1.00 64.41 C ATOM 1038 OE1 GLU A 64 -6.371 -13.176 11.123 1.00 62.52 O ATOM 1039 OE2 GLU A 64 -7.111 -13.435 13.175 1.00 33.32 O ATOM 0 H GLU A 64 -7.482 -9.145 13.899 1.00 30.30 H new ATOM 0 HA GLU A 64 -5.579 -8.152 12.061 1.00 41.11 H new ATOM 0 HB2 GLU A 64 -5.377 -10.528 11.403 1.00 50.32 H new ATOM 0 HB3 GLU A 64 -5.484 -10.406 13.148 1.00 50.32 H new ATOM 0 HG2 GLU A 64 -7.842 -11.061 13.110 1.00 13.45 H new ATOM 0 HG3 GLU A 64 -7.871 -11.016 11.359 1.00 13.45 H new ATOM 1046 N GLU A 65 -8.580 -8.793 10.847 1.00 50.52 N ATOM 1047 CA GLU A 65 -9.461 -8.754 9.679 1.00 40.35 C ATOM 1048 C GLU A 65 -9.566 -7.322 9.151 1.00 30.41 C ATOM 1049 O GLU A 65 -9.405 -7.076 7.955 1.00 14.53 O ATOM 1050 CB GLU A 65 -10.862 -9.306 10.055 1.00 61.13 C ATOM 1051 CG GLU A 65 -11.770 -9.640 8.856 1.00 2.21 C ATOM 1052 CD GLU A 65 -11.201 -10.763 7.970 1.00 50.32 C ATOM 1053 OE1 GLU A 65 -11.311 -11.949 8.357 1.00 35.01 O ATOM 1054 OE2 GLU A 65 -10.610 -10.467 6.902 1.00 54.31 O ATOM 0 H GLU A 65 -9.066 -9.014 11.716 1.00 50.52 H new ATOM 0 HA GLU A 65 -9.043 -9.381 8.892 1.00 40.35 H new ATOM 0 HB2 GLU A 65 -10.733 -10.206 10.656 1.00 61.13 H new ATOM 0 HB3 GLU A 65 -11.369 -8.573 10.683 1.00 61.13 H new ATOM 0 HG2 GLU A 65 -12.753 -9.936 9.222 1.00 2.21 H new ATOM 0 HG3 GLU A 65 -11.911 -8.744 8.252 1.00 2.21 H new ATOM 1061 N LYS A 66 -9.783 -6.381 10.084 1.00 44.13 N ATOM 1062 CA LYS A 66 -9.974 -4.959 9.767 1.00 14.11 C ATOM 1063 C LYS A 66 -8.630 -4.293 9.439 1.00 20.44 C ATOM 1064 O LYS A 66 -8.572 -3.411 8.587 1.00 32.35 O ATOM 1065 CB LYS A 66 -10.678 -4.250 10.945 1.00 73.53 C ATOM 1066 CG LYS A 66 -12.014 -4.913 11.356 1.00 23.12 C ATOM 1067 CD LYS A 66 -12.796 -4.111 12.421 1.00 14.20 C ATOM 1068 CE LYS A 66 -13.313 -2.762 11.893 1.00 71.21 C ATOM 1069 NZ LYS A 66 -14.226 -2.100 12.858 1.00 14.32 N ATOM 0 H LYS A 66 -9.831 -6.587 11.082 1.00 44.13 H new ATOM 0 HA LYS A 66 -10.608 -4.872 8.885 1.00 14.11 H new ATOM 0 HB2 LYS A 66 -10.008 -4.239 11.805 1.00 73.53 H new ATOM 0 HB3 LYS A 66 -10.866 -3.211 10.673 1.00 73.53 H new ATOM 0 HG2 LYS A 66 -12.639 -5.033 10.471 1.00 23.12 H new ATOM 0 HG3 LYS A 66 -11.812 -5.913 11.741 1.00 23.12 H new ATOM 0 HD2 LYS A 66 -13.640 -4.706 12.770 1.00 14.20 H new ATOM 0 HD3 LYS A 66 -12.152 -3.936 13.282 1.00 14.20 H new ATOM 0 HE2 LYS A 66 -12.468 -2.106 11.685 1.00 71.21 H new ATOM 0 HE3 LYS A 66 -13.835 -2.918 10.949 1.00 71.21 H new ATOM 0 HZ1 LYS A 66 -14.551 -1.195 12.463 1.00 14.32 H new ATOM 0 HZ2 LYS A 66 -15.046 -2.714 13.037 1.00 14.32 H new ATOM 0 HZ3 LYS A 66 -13.721 -1.927 13.751 1.00 14.32 H new ATOM 1083 N ALA A 67 -7.559 -4.752 10.105 1.00 75.34 N ATOM 1084 CA ALA A 67 -6.191 -4.264 9.864 1.00 1.51 C ATOM 1085 C ALA A 67 -5.737 -4.572 8.428 1.00 31.40 C ATOM 1086 O ALA A 67 -5.205 -3.702 7.733 1.00 34.21 O ATOM 1087 CB ALA A 67 -5.232 -4.878 10.885 1.00 51.00 C ATOM 0 H ALA A 67 -7.616 -5.472 10.826 1.00 75.34 H new ATOM 0 HA ALA A 67 -6.183 -3.181 9.983 1.00 1.51 H new ATOM 0 HB1 ALA A 67 -4.222 -4.513 10.701 1.00 51.00 H new ATOM 0 HB2 ALA A 67 -5.542 -4.596 11.891 1.00 51.00 H new ATOM 0 HB3 ALA A 67 -5.248 -5.964 10.792 1.00 51.00 H new ATOM 1093 N LYS A 68 -5.979 -5.823 7.991 1.00 12.41 N ATOM 1094 CA LYS A 68 -5.641 -6.282 6.628 1.00 25.44 C ATOM 1095 C LYS A 68 -6.687 -5.811 5.599 1.00 25.23 C ATOM 1096 O LYS A 68 -6.410 -5.820 4.393 1.00 52.43 O ATOM 1097 CB LYS A 68 -5.457 -7.821 6.581 1.00 1.24 C ATOM 1098 CG LYS A 68 -4.292 -8.357 7.458 1.00 12.30 C ATOM 1099 CD LYS A 68 -3.934 -9.842 7.177 1.00 21.53 C ATOM 1100 CE LYS A 68 -5.095 -10.822 7.443 1.00 55.23 C ATOM 1101 NZ LYS A 68 -5.511 -10.833 8.874 1.00 70.25 N ATOM 0 H LYS A 68 -6.413 -6.542 8.570 1.00 12.41 H new ATOM 0 HA LYS A 68 -4.688 -5.828 6.357 1.00 25.44 H new ATOM 0 HB2 LYS A 68 -6.385 -8.295 6.902 1.00 1.24 H new ATOM 0 HB3 LYS A 68 -5.286 -8.122 5.548 1.00 1.24 H new ATOM 0 HG2 LYS A 68 -3.409 -7.741 7.290 1.00 12.30 H new ATOM 0 HG3 LYS A 68 -4.560 -8.249 8.509 1.00 12.30 H new ATOM 0 HD2 LYS A 68 -3.619 -9.940 6.138 1.00 21.53 H new ATOM 0 HD3 LYS A 68 -3.083 -10.125 7.796 1.00 21.53 H new ATOM 0 HE2 LYS A 68 -5.948 -10.549 6.821 1.00 55.23 H new ATOM 0 HE3 LYS A 68 -4.794 -11.827 7.147 1.00 55.23 H new ATOM 0 HZ1 LYS A 68 -6.282 -11.519 9.006 1.00 70.25 H new ATOM 0 HZ2 LYS A 68 -4.702 -11.103 9.469 1.00 70.25 H new ATOM 0 HZ3 LYS A 68 -5.840 -9.885 9.147 1.00 70.25 H new ATOM 1115 N SER A 69 -7.884 -5.423 6.079 1.00 54.05 N ATOM 1116 CA SER A 69 -8.927 -4.798 5.237 1.00 35.24 C ATOM 1117 C SER A 69 -8.458 -3.402 4.772 1.00 50.52 C ATOM 1118 O SER A 69 -8.666 -3.022 3.621 1.00 2.23 O ATOM 1119 CB SER A 69 -10.256 -4.699 6.013 1.00 11.31 C ATOM 1120 OG SER A 69 -11.305 -4.173 5.219 1.00 1.41 O ATOM 0 H SER A 69 -8.156 -5.532 7.056 1.00 54.05 H new ATOM 0 HA SER A 69 -9.095 -5.420 4.358 1.00 35.24 H new ATOM 0 HB2 SER A 69 -10.538 -5.688 6.374 1.00 11.31 H new ATOM 0 HB3 SER A 69 -10.116 -4.067 6.890 1.00 11.31 H new ATOM 0 HG SER A 69 -12.127 -4.130 5.750 1.00 1.41 H new ATOM 1126 N ILE A 70 -7.809 -2.667 5.695 1.00 61.11 N ATOM 1127 CA ILE A 70 -7.173 -1.359 5.421 1.00 3.52 C ATOM 1128 C ILE A 70 -6.067 -1.523 4.362 1.00 44.31 C ATOM 1129 O ILE A 70 -5.961 -0.724 3.413 1.00 5.32 O ATOM 1130 CB ILE A 70 -6.573 -0.759 6.746 1.00 53.04 C ATOM 1131 CG1 ILE A 70 -7.713 -0.486 7.781 1.00 71.31 C ATOM 1132 CG2 ILE A 70 -5.728 0.513 6.477 1.00 60.33 C ATOM 1133 CD1 ILE A 70 -7.242 -0.129 9.177 1.00 73.54 C ATOM 0 H ILE A 70 -7.709 -2.966 6.665 1.00 61.11 H new ATOM 0 HA ILE A 70 -7.928 -0.672 5.038 1.00 3.52 H new ATOM 0 HB ILE A 70 -5.893 -1.497 7.171 1.00 53.04 H new ATOM 0 HG12 ILE A 70 -8.336 0.326 7.406 1.00 71.31 H new ATOM 0 HG13 ILE A 70 -8.346 -1.371 7.843 1.00 71.31 H new ATOM 0 HG21 ILE A 70 -5.333 0.894 7.419 1.00 60.33 H new ATOM 0 HG22 ILE A 70 -4.902 0.267 5.810 1.00 60.33 H new ATOM 0 HG23 ILE A 70 -6.354 1.274 6.012 1.00 60.33 H new ATOM 0 HD11 ILE A 70 -8.106 0.041 9.820 1.00 73.54 H new ATOM 0 HD12 ILE A 70 -6.645 -0.947 9.580 1.00 73.54 H new ATOM 0 HD13 ILE A 70 -6.636 0.776 9.136 1.00 73.54 H new ATOM 1145 N ILE A 71 -5.269 -2.591 4.540 1.00 33.13 N ATOM 1146 CA ILE A 71 -4.221 -2.978 3.588 1.00 12.12 C ATOM 1147 C ILE A 71 -4.842 -3.255 2.208 1.00 23.55 C ATOM 1148 O ILE A 71 -4.271 -2.874 1.201 1.00 75.22 O ATOM 1149 CB ILE A 71 -3.424 -4.243 4.083 1.00 61.11 C ATOM 1150 CG1 ILE A 71 -2.803 -3.977 5.495 1.00 3.13 C ATOM 1151 CG2 ILE A 71 -2.334 -4.661 3.056 1.00 52.21 C ATOM 1152 CD1 ILE A 71 -2.106 -5.167 6.126 1.00 31.24 C ATOM 0 H ILE A 71 -5.335 -3.208 5.349 1.00 33.13 H new ATOM 0 HA ILE A 71 -3.517 -2.149 3.512 1.00 12.12 H new ATOM 0 HB ILE A 71 -4.123 -5.075 4.169 1.00 61.11 H new ATOM 0 HG12 ILE A 71 -2.088 -3.159 5.412 1.00 3.13 H new ATOM 0 HG13 ILE A 71 -3.594 -3.642 6.165 1.00 3.13 H new ATOM 0 HG21 ILE A 71 -1.802 -5.537 3.427 1.00 52.21 H new ATOM 0 HG22 ILE A 71 -2.805 -4.899 2.102 1.00 52.21 H new ATOM 0 HG23 ILE A 71 -1.630 -3.840 2.918 1.00 52.21 H new ATOM 0 HD11 ILE A 71 -1.710 -4.882 7.101 1.00 31.24 H new ATOM 0 HD12 ILE A 71 -2.818 -5.983 6.248 1.00 31.24 H new ATOM 0 HD13 ILE A 71 -1.288 -5.493 5.483 1.00 31.24 H new ATOM 1164 N LYS A 72 -6.037 -3.881 2.194 1.00 34.54 N ATOM 1165 CA LYS A 72 -6.758 -4.226 0.950 1.00 34.21 C ATOM 1166 C LYS A 72 -7.221 -2.961 0.200 1.00 53.15 C ATOM 1167 O LYS A 72 -7.202 -2.938 -1.037 1.00 74.22 O ATOM 1168 CB LYS A 72 -7.955 -5.155 1.262 1.00 35.03 C ATOM 1169 CG LYS A 72 -8.753 -5.641 0.028 1.00 30.43 C ATOM 1170 CD LYS A 72 -7.905 -6.481 -0.954 1.00 22.42 C ATOM 1171 CE LYS A 72 -8.729 -7.001 -2.144 1.00 50.32 C ATOM 1172 NZ LYS A 72 -9.886 -7.828 -1.710 1.00 4.10 N ATOM 0 H LYS A 72 -6.529 -4.161 3.043 1.00 34.54 H new ATOM 0 HA LYS A 72 -6.068 -4.759 0.296 1.00 34.21 H new ATOM 0 HB2 LYS A 72 -7.586 -6.027 1.802 1.00 35.03 H new ATOM 0 HB3 LYS A 72 -8.637 -4.630 1.931 1.00 35.03 H new ATOM 0 HG2 LYS A 72 -9.603 -6.235 0.364 1.00 30.43 H new ATOM 0 HG3 LYS A 72 -9.157 -4.776 -0.499 1.00 30.43 H new ATOM 0 HD2 LYS A 72 -7.078 -5.876 -1.325 1.00 22.42 H new ATOM 0 HD3 LYS A 72 -7.468 -7.326 -0.422 1.00 22.42 H new ATOM 0 HE2 LYS A 72 -9.089 -6.156 -2.731 1.00 50.32 H new ATOM 0 HE3 LYS A 72 -8.087 -7.592 -2.797 1.00 50.32 H new ATOM 0 HZ1 LYS A 72 -10.289 -8.320 -2.533 1.00 4.10 H new ATOM 0 HZ2 LYS A 72 -9.569 -8.528 -1.009 1.00 4.10 H new ATOM 0 HZ3 LYS A 72 -10.610 -7.215 -1.284 1.00 4.10 H new ATOM 1186 N LEU A 73 -7.629 -1.917 0.951 1.00 22.13 N ATOM 1187 CA LEU A 73 -7.943 -0.588 0.364 1.00 22.41 C ATOM 1188 C LEU A 73 -6.698 -0.029 -0.353 1.00 54.23 C ATOM 1189 O LEU A 73 -6.787 0.448 -1.489 1.00 52.31 O ATOM 1190 CB LEU A 73 -8.460 0.426 1.442 1.00 34.04 C ATOM 1191 CG LEU A 73 -9.998 0.419 1.744 1.00 32.43 C ATOM 1192 CD1 LEU A 73 -10.503 -0.969 2.184 1.00 20.54 C ATOM 1193 CD2 LEU A 73 -10.361 1.506 2.790 1.00 64.03 C ATOM 0 H LEU A 73 -7.750 -1.964 1.963 1.00 22.13 H new ATOM 0 HA LEU A 73 -8.749 -0.723 -0.358 1.00 22.41 H new ATOM 0 HB2 LEU A 73 -7.931 0.229 2.374 1.00 34.04 H new ATOM 0 HB3 LEU A 73 -8.182 1.431 1.124 1.00 34.04 H new ATOM 0 HG LEU A 73 -10.509 0.657 0.811 1.00 32.43 H new ATOM 0 HD11 LEU A 73 -11.574 -0.921 2.381 1.00 20.54 H new ATOM 0 HD12 LEU A 73 -10.312 -1.693 1.392 1.00 20.54 H new ATOM 0 HD13 LEU A 73 -9.981 -1.276 3.090 1.00 20.54 H new ATOM 0 HD21 LEU A 73 -11.433 1.481 2.983 1.00 64.03 H new ATOM 0 HD22 LEU A 73 -9.821 1.314 3.717 1.00 64.03 H new ATOM 0 HD23 LEU A 73 -10.084 2.488 2.406 1.00 64.03 H new ATOM 1205 N ILE A 74 -5.548 -0.126 0.331 1.00 55.23 N ATOM 1206 CA ILE A 74 -4.238 0.279 -0.204 1.00 42.10 C ATOM 1207 C ILE A 74 -3.883 -0.546 -1.467 1.00 12.22 C ATOM 1208 O ILE A 74 -3.489 0.025 -2.477 1.00 13.20 O ATOM 1209 CB ILE A 74 -3.122 0.126 0.900 1.00 3.22 C ATOM 1210 CG1 ILE A 74 -3.426 1.070 2.119 1.00 24.41 C ATOM 1211 CG2 ILE A 74 -1.704 0.375 0.327 1.00 74.13 C ATOM 1212 CD1 ILE A 74 -2.472 0.939 3.293 1.00 15.23 C ATOM 0 H ILE A 74 -5.500 -0.492 1.282 1.00 55.23 H new ATOM 0 HA ILE A 74 -4.292 1.329 -0.492 1.00 42.10 H new ATOM 0 HB ILE A 74 -3.139 -0.905 1.253 1.00 3.22 H new ATOM 0 HG12 ILE A 74 -3.409 2.103 1.771 1.00 24.41 H new ATOM 0 HG13 ILE A 74 -4.438 0.869 2.470 1.00 24.41 H new ATOM 0 HG21 ILE A 74 -0.966 0.260 1.120 1.00 74.13 H new ATOM 0 HG22 ILE A 74 -1.500 -0.345 -0.466 1.00 74.13 H new ATOM 0 HG23 ILE A 74 -1.647 1.386 -0.077 1.00 74.13 H new ATOM 0 HD11 ILE A 74 -2.767 1.632 4.081 1.00 15.23 H new ATOM 0 HD12 ILE A 74 -2.504 -0.081 3.676 1.00 15.23 H new ATOM 0 HD13 ILE A 74 -1.459 1.172 2.966 1.00 15.23 H new ATOM 1224 N GLU A 75 -4.088 -1.876 -1.394 1.00 71.25 N ATOM 1225 CA GLU A 75 -3.754 -2.838 -2.474 1.00 14.11 C ATOM 1226 C GLU A 75 -4.485 -2.481 -3.774 1.00 13.20 C ATOM 1227 O GLU A 75 -3.858 -2.340 -4.823 1.00 1.05 O ATOM 1228 CB GLU A 75 -4.134 -4.284 -2.054 1.00 22.40 C ATOM 1229 CG GLU A 75 -3.262 -4.904 -0.946 1.00 11.23 C ATOM 1230 CD GLU A 75 -3.829 -6.241 -0.434 1.00 43.52 C ATOM 1231 OE1 GLU A 75 -3.918 -7.199 -1.227 1.00 73.22 O ATOM 1232 OE2 GLU A 75 -4.188 -6.345 0.764 1.00 51.52 O ATOM 0 H GLU A 75 -4.496 -2.323 -0.573 1.00 71.25 H new ATOM 0 HA GLU A 75 -2.679 -2.781 -2.645 1.00 14.11 H new ATOM 0 HB2 GLU A 75 -5.171 -4.286 -1.719 1.00 22.40 H new ATOM 0 HB3 GLU A 75 -4.082 -4.925 -2.934 1.00 22.40 H new ATOM 0 HG2 GLU A 75 -2.253 -5.062 -1.327 1.00 11.23 H new ATOM 0 HG3 GLU A 75 -3.183 -4.204 -0.115 1.00 11.23 H new ATOM 1239 N GLU A 76 -5.810 -2.314 -3.661 1.00 23.14 N ATOM 1240 CA GLU A 76 -6.694 -1.989 -4.798 1.00 15.53 C ATOM 1241 C GLU A 76 -6.286 -0.675 -5.474 1.00 30.24 C ATOM 1242 O GLU A 76 -6.177 -0.603 -6.699 1.00 4.15 O ATOM 1243 CB GLU A 76 -8.168 -1.908 -4.321 1.00 53.13 C ATOM 1244 CG GLU A 76 -8.763 -3.252 -3.864 1.00 52.35 C ATOM 1245 CD GLU A 76 -8.791 -4.298 -4.991 1.00 5.11 C ATOM 1246 OE1 GLU A 76 -9.579 -4.126 -5.945 1.00 64.42 O ATOM 1247 OE2 GLU A 76 -8.023 -5.282 -4.942 1.00 54.14 O ATOM 0 H GLU A 76 -6.306 -2.400 -2.774 1.00 23.14 H new ATOM 0 HA GLU A 76 -6.595 -2.786 -5.535 1.00 15.53 H new ATOM 0 HB2 GLU A 76 -8.232 -1.197 -3.497 1.00 53.13 H new ATOM 0 HB3 GLU A 76 -8.778 -1.511 -5.132 1.00 53.13 H new ATOM 0 HG2 GLU A 76 -8.179 -3.639 -3.029 1.00 52.35 H new ATOM 0 HG3 GLU A 76 -9.777 -3.091 -3.497 1.00 52.35 H new ATOM 1254 N ARG A 77 -6.042 0.338 -4.643 1.00 4.11 N ATOM 1255 CA ARG A 77 -5.748 1.704 -5.087 1.00 55.24 C ATOM 1256 C ARG A 77 -4.363 1.806 -5.768 1.00 32.34 C ATOM 1257 O ARG A 77 -4.249 2.393 -6.853 1.00 23.02 O ATOM 1258 CB ARG A 77 -5.825 2.642 -3.869 1.00 41.34 C ATOM 1259 CG ARG A 77 -7.239 2.916 -3.315 1.00 35.52 C ATOM 1260 CD ARG A 77 -8.053 3.883 -4.188 1.00 33.22 C ATOM 1261 NE ARG A 77 -9.299 4.292 -3.518 1.00 55.31 N ATOM 1262 CZ ARG A 77 -9.558 5.510 -3.011 1.00 62.42 C ATOM 1263 NH1 ARG A 77 -8.662 6.490 -3.077 1.00 61.22 N ATOM 1264 NH2 ARG A 77 -10.704 5.721 -2.395 1.00 42.33 N ATOM 0 H ARG A 77 -6.043 0.233 -3.628 1.00 4.11 H new ATOM 0 HA ARG A 77 -6.485 1.997 -5.834 1.00 55.24 H new ATOM 0 HB2 ARG A 77 -5.219 2.217 -3.069 1.00 41.34 H new ATOM 0 HB3 ARG A 77 -5.371 3.595 -4.140 1.00 41.34 H new ATOM 0 HG2 ARG A 77 -7.778 1.972 -3.229 1.00 35.52 H new ATOM 0 HG3 ARG A 77 -7.155 3.328 -2.309 1.00 35.52 H new ATOM 0 HD2 ARG A 77 -7.453 4.765 -4.414 1.00 33.22 H new ATOM 0 HD3 ARG A 77 -8.289 3.406 -5.139 1.00 33.22 H new ATOM 0 HE ARG A 77 -10.032 3.588 -3.431 1.00 55.31 H new ATOM 0 HH11 ARG A 77 -7.758 6.325 -3.519 1.00 61.22 H new ATOM 0 HH12 ARG A 77 -8.879 7.407 -2.686 1.00 61.22 H new ATOM 0 HH21 ARG A 77 -11.383 4.965 -2.307 1.00 42.33 H new ATOM 0 HH22 ARG A 77 -10.912 6.641 -2.006 1.00 42.33 H new ATOM 1278 N ILE A 78 -3.308 1.249 -5.115 1.00 2.41 N ATOM 1279 CA ILE A 78 -1.923 1.329 -5.637 1.00 62.32 C ATOM 1280 C ILE A 78 -1.813 0.539 -6.950 1.00 11.14 C ATOM 1281 O ILE A 78 -1.300 1.060 -7.936 1.00 34.41 O ATOM 1282 CB ILE A 78 -0.808 0.853 -4.607 1.00 41.43 C ATOM 1283 CG1 ILE A 78 -0.915 -0.672 -4.259 1.00 75.51 C ATOM 1284 CG2 ILE A 78 -0.852 1.710 -3.320 1.00 1.10 C ATOM 1285 CD1 ILE A 78 0.154 -1.213 -3.321 1.00 44.35 C ATOM 0 H ILE A 78 -3.392 0.744 -4.233 1.00 2.41 H new ATOM 0 HA ILE A 78 -1.726 2.386 -5.814 1.00 62.32 H new ATOM 0 HB ILE A 78 0.155 0.997 -5.098 1.00 41.43 H new ATOM 0 HG12 ILE A 78 -1.892 -0.856 -3.811 1.00 75.51 H new ATOM 0 HG13 ILE A 78 -0.878 -1.241 -5.188 1.00 75.51 H new ATOM 0 HG21 ILE A 78 -0.082 1.368 -2.629 1.00 1.10 H new ATOM 0 HG22 ILE A 78 -0.675 2.755 -3.573 1.00 1.10 H new ATOM 0 HG23 ILE A 78 -1.831 1.611 -2.850 1.00 1.10 H new ATOM 0 HD11 ILE A 78 -0.017 -2.276 -3.149 1.00 44.35 H new ATOM 0 HD12 ILE A 78 1.137 -1.071 -3.770 1.00 44.35 H new ATOM 0 HD13 ILE A 78 0.108 -0.680 -2.371 1.00 44.35 H new ATOM 1297 N GLU A 79 -2.379 -0.690 -6.957 1.00 44.44 N ATOM 1298 CA GLU A 79 -2.369 -1.599 -8.115 1.00 11.43 C ATOM 1299 C GLU A 79 -3.064 -0.951 -9.314 1.00 21.21 C ATOM 1300 O GLU A 79 -2.586 -1.044 -10.451 1.00 13.22 O ATOM 1301 CB GLU A 79 -3.091 -2.922 -7.756 1.00 14.11 C ATOM 1302 CG GLU A 79 -3.145 -3.957 -8.896 1.00 31.32 C ATOM 1303 CD GLU A 79 -4.153 -5.084 -8.641 1.00 64.44 C ATOM 1304 OE1 GLU A 79 -3.786 -6.094 -8.011 1.00 2.23 O ATOM 1305 OE2 GLU A 79 -5.322 -4.956 -9.066 1.00 63.40 O ATOM 0 H GLU A 79 -2.860 -1.078 -6.146 1.00 44.44 H new ATOM 0 HA GLU A 79 -1.332 -1.808 -8.377 1.00 11.43 H new ATOM 0 HB2 GLU A 79 -2.590 -3.372 -6.899 1.00 14.11 H new ATOM 0 HB3 GLU A 79 -4.110 -2.691 -7.445 1.00 14.11 H new ATOM 0 HG2 GLU A 79 -3.404 -3.451 -9.826 1.00 31.32 H new ATOM 0 HG3 GLU A 79 -2.154 -4.389 -9.033 1.00 31.32 H new ATOM 1312 N GLU A 80 -4.202 -0.303 -9.026 1.00 45.14 N ATOM 1313 CA GLU A 80 -5.016 0.387 -10.026 1.00 51.43 C ATOM 1314 C GLU A 80 -4.187 1.471 -10.733 1.00 11.31 C ATOM 1315 O GLU A 80 -3.980 1.409 -11.944 1.00 0.12 O ATOM 1316 CB GLU A 80 -6.277 1.005 -9.363 1.00 43.44 C ATOM 1317 CG GLU A 80 -7.352 1.511 -10.341 1.00 33.14 C ATOM 1318 CD GLU A 80 -7.896 0.404 -11.257 1.00 11.24 C ATOM 1319 OE1 GLU A 80 -8.680 -0.453 -10.779 1.00 72.51 O ATOM 1320 OE2 GLU A 80 -7.518 0.363 -12.443 1.00 63.54 O ATOM 0 H GLU A 80 -4.583 -0.245 -8.082 1.00 45.14 H new ATOM 0 HA GLU A 80 -5.342 -0.337 -10.772 1.00 51.43 H new ATOM 0 HB2 GLU A 80 -6.727 0.258 -8.709 1.00 43.44 H new ATOM 0 HB3 GLU A 80 -5.965 1.836 -8.730 1.00 43.44 H new ATOM 0 HG2 GLU A 80 -8.176 1.944 -9.774 1.00 33.14 H new ATOM 0 HG3 GLU A 80 -6.932 2.309 -10.954 1.00 33.14 H new ATOM 1327 N GLU A 81 -3.665 2.411 -9.935 1.00 11.15 N ATOM 1328 CA GLU A 81 -2.913 3.583 -10.426 1.00 74.34 C ATOM 1329 C GLU A 81 -1.609 3.195 -11.158 1.00 12.30 C ATOM 1330 O GLU A 81 -1.174 3.887 -12.093 1.00 71.04 O ATOM 1331 CB GLU A 81 -2.614 4.519 -9.238 1.00 75.33 C ATOM 1332 CG GLU A 81 -3.855 5.196 -8.625 1.00 40.42 C ATOM 1333 CD GLU A 81 -4.617 6.079 -9.629 1.00 14.40 C ATOM 1334 OE1 GLU A 81 -3.983 6.936 -10.275 1.00 41.31 O ATOM 1335 OE2 GLU A 81 -5.848 5.930 -9.769 1.00 3.24 O ATOM 0 H GLU A 81 -3.751 2.383 -8.919 1.00 11.15 H new ATOM 0 HA GLU A 81 -3.532 4.095 -11.163 1.00 74.34 H new ATOM 0 HB2 GLU A 81 -2.108 3.947 -8.461 1.00 75.33 H new ATOM 0 HB3 GLU A 81 -1.920 5.292 -9.568 1.00 75.33 H new ATOM 0 HG2 GLU A 81 -4.528 4.429 -8.241 1.00 40.42 H new ATOM 0 HG3 GLU A 81 -3.547 5.805 -7.775 1.00 40.42 H new ATOM 1342 N LEU A 82 -1.005 2.090 -10.716 1.00 64.54 N ATOM 1343 CA LEU A 82 0.201 1.524 -11.332 1.00 0.11 C ATOM 1344 C LEU A 82 -0.102 1.002 -12.740 1.00 1.44 C ATOM 1345 O LEU A 82 0.599 1.343 -13.689 1.00 5.41 O ATOM 1346 CB LEU A 82 0.769 0.405 -10.420 1.00 63.23 C ATOM 1347 CG LEU A 82 1.506 0.910 -9.144 1.00 73.21 C ATOM 1348 CD1 LEU A 82 1.842 -0.258 -8.191 1.00 45.55 C ATOM 1349 CD2 LEU A 82 2.759 1.717 -9.536 1.00 63.00 C ATOM 0 H LEU A 82 -1.341 1.557 -9.914 1.00 64.54 H new ATOM 0 HA LEU A 82 0.955 2.305 -11.434 1.00 0.11 H new ATOM 0 HB2 LEU A 82 -0.050 -0.246 -10.115 1.00 63.23 H new ATOM 0 HB3 LEU A 82 1.459 -0.204 -11.004 1.00 63.23 H new ATOM 0 HG LEU A 82 0.839 1.576 -8.598 1.00 73.21 H new ATOM 0 HD11 LEU A 82 2.356 0.127 -7.310 1.00 45.55 H new ATOM 0 HD12 LEU A 82 0.921 -0.755 -7.886 1.00 45.55 H new ATOM 0 HD13 LEU A 82 2.487 -0.972 -8.704 1.00 45.55 H new ATOM 0 HD21 LEU A 82 3.265 2.064 -8.635 1.00 63.00 H new ATOM 0 HD22 LEU A 82 3.435 1.083 -10.110 1.00 63.00 H new ATOM 0 HD23 LEU A 82 2.465 2.575 -10.140 1.00 63.00 H new ATOM 1361 N ARG A 83 -1.178 0.211 -12.859 1.00 44.13 N ATOM 1362 CA ARG A 83 -1.622 -0.365 -14.145 1.00 1.41 C ATOM 1363 C ARG A 83 -2.140 0.719 -15.108 1.00 25.31 C ATOM 1364 O ARG A 83 -2.061 0.550 -16.326 1.00 3.43 O ATOM 1365 CB ARG A 83 -2.697 -1.450 -13.910 1.00 33.14 C ATOM 1366 CG ARG A 83 -2.168 -2.735 -13.240 1.00 23.04 C ATOM 1367 CD ARG A 83 -3.302 -3.712 -12.898 1.00 42.40 C ATOM 1368 NE ARG A 83 -4.237 -3.127 -11.918 1.00 31.32 N ATOM 1369 CZ ARG A 83 -5.562 -3.029 -12.049 1.00 25.25 C ATOM 1370 NH1 ARG A 83 -6.180 -3.474 -13.133 1.00 34.50 N ATOM 1371 NH2 ARG A 83 -6.266 -2.505 -11.061 1.00 34.12 N ATOM 0 H ARG A 83 -1.768 -0.050 -12.069 1.00 44.13 H new ATOM 0 HA ARG A 83 -0.755 -0.829 -14.615 1.00 1.41 H new ATOM 0 HB2 ARG A 83 -3.489 -1.031 -13.290 1.00 33.14 H new ATOM 0 HB3 ARG A 83 -3.147 -1.712 -14.868 1.00 33.14 H new ATOM 0 HG2 ARG A 83 -1.456 -3.224 -13.905 1.00 23.04 H new ATOM 0 HG3 ARG A 83 -1.627 -2.474 -12.330 1.00 23.04 H new ATOM 0 HD2 ARG A 83 -3.843 -3.977 -13.806 1.00 42.40 H new ATOM 0 HD3 ARG A 83 -2.882 -4.634 -12.497 1.00 42.40 H new ATOM 0 HE ARG A 83 -3.831 -2.762 -11.056 1.00 31.32 H new ATOM 0 HH11 ARG A 83 -5.643 -3.901 -13.887 1.00 34.50 H new ATOM 0 HH12 ARG A 83 -7.193 -3.390 -13.213 1.00 34.50 H new ATOM 0 HH21 ARG A 83 -5.796 -2.183 -10.215 1.00 34.12 H new ATOM 0 HH22 ARG A 83 -7.279 -2.423 -11.145 1.00 34.12 H new ATOM 1385 N LYS A 84 -2.640 1.833 -14.549 1.00 43.34 N ATOM 1386 CA LYS A 84 -3.121 2.993 -15.333 1.00 0.11 C ATOM 1387 C LYS A 84 -1.971 3.689 -16.103 1.00 43.41 C ATOM 1388 O LYS A 84 -2.231 4.417 -17.071 1.00 34.23 O ATOM 1389 CB LYS A 84 -3.891 3.974 -14.398 1.00 45.31 C ATOM 1390 CG LYS A 84 -5.273 3.438 -13.946 1.00 42.42 C ATOM 1391 CD LYS A 84 -5.956 4.248 -12.812 1.00 15.25 C ATOM 1392 CE LYS A 84 -6.310 5.702 -13.189 1.00 55.12 C ATOM 1393 NZ LYS A 84 -5.182 6.649 -13.008 1.00 0.55 N ATOM 0 H LYS A 84 -2.724 1.959 -13.540 1.00 43.34 H new ATOM 0 HA LYS A 84 -3.813 2.637 -16.096 1.00 0.11 H new ATOM 0 HB2 LYS A 84 -3.283 4.177 -13.517 1.00 45.31 H new ATOM 0 HB3 LYS A 84 -4.029 4.923 -14.915 1.00 45.31 H new ATOM 0 HG2 LYS A 84 -5.938 3.420 -14.809 1.00 42.42 H new ATOM 0 HG3 LYS A 84 -5.154 2.407 -13.614 1.00 42.42 H new ATOM 0 HD2 LYS A 84 -6.868 3.731 -12.512 1.00 15.25 H new ATOM 0 HD3 LYS A 84 -5.297 4.261 -11.944 1.00 15.25 H new ATOM 0 HE2 LYS A 84 -6.636 5.731 -14.229 1.00 55.12 H new ATOM 0 HE3 LYS A 84 -7.153 6.032 -12.582 1.00 55.12 H new ATOM 0 HZ1 LYS A 84 -5.555 7.596 -12.792 1.00 0.55 H new ATOM 0 HZ2 LYS A 84 -4.581 6.327 -12.223 1.00 0.55 H new ATOM 0 HZ3 LYS A 84 -4.619 6.689 -13.882 1.00 0.55 H new ATOM 1407 N ARG A 85 -0.714 3.449 -15.681 1.00 3.13 N ATOM 1408 CA ARG A 85 0.484 3.889 -16.432 1.00 22.00 C ATOM 1409 C ARG A 85 1.227 2.680 -17.045 1.00 41.53 C ATOM 1410 O ARG A 85 1.778 2.775 -18.145 1.00 30.44 O ATOM 1411 CB ARG A 85 1.457 4.679 -15.496 1.00 64.40 C ATOM 1412 CG ARG A 85 2.819 5.033 -16.155 1.00 23.44 C ATOM 1413 CD ARG A 85 3.787 5.795 -15.241 1.00 4.23 C ATOM 1414 NE ARG A 85 5.118 5.949 -15.883 1.00 10.30 N ATOM 1415 CZ ARG A 85 5.581 7.052 -16.502 1.00 14.30 C ATOM 1416 NH1 ARG A 85 4.846 8.146 -16.601 1.00 31.55 N ATOM 1417 NH2 ARG A 85 6.787 7.036 -17.040 1.00 75.01 N ATOM 0 H ARG A 85 -0.499 2.949 -14.818 1.00 3.13 H new ATOM 0 HA ARG A 85 0.150 4.542 -17.238 1.00 22.00 H new ATOM 0 HB2 ARG A 85 0.969 5.600 -15.176 1.00 64.40 H new ATOM 0 HB3 ARG A 85 1.642 4.088 -14.599 1.00 64.40 H new ATOM 0 HG2 ARG A 85 3.299 4.112 -16.485 1.00 23.44 H new ATOM 0 HG3 ARG A 85 2.633 5.632 -17.046 1.00 23.44 H new ATOM 0 HD2 ARG A 85 3.376 6.777 -15.009 1.00 4.23 H new ATOM 0 HD3 ARG A 85 3.895 5.263 -14.296 1.00 4.23 H new ATOM 0 HE ARG A 85 5.741 5.142 -15.852 1.00 10.30 H new ATOM 0 HH11 ARG A 85 3.907 8.167 -16.204 1.00 31.55 H new ATOM 0 HH12 ARG A 85 5.218 8.969 -17.074 1.00 31.55 H new ATOM 0 HH21 ARG A 85 7.359 6.193 -16.985 1.00 75.01 H new ATOM 0 HH22 ARG A 85 7.146 7.866 -17.511 1.00 75.01 H new ATOM 1431 N ASP A 86 1.186 1.529 -16.354 1.00 35.21 N ATOM 1432 CA ASP A 86 2.162 0.438 -16.561 1.00 52.40 C ATOM 1433 C ASP A 86 1.547 -0.958 -16.275 1.00 42.33 C ATOM 1434 O ASP A 86 1.254 -1.269 -15.120 1.00 5.12 O ATOM 1435 CB ASP A 86 3.398 0.663 -15.633 1.00 41.43 C ATOM 1436 CG ASP A 86 4.519 -0.382 -15.815 1.00 73.12 C ATOM 1437 OD1 ASP A 86 4.737 -0.848 -16.955 1.00 52.24 O ATOM 1438 OD2 ASP A 86 5.185 -0.736 -14.820 1.00 30.34 O ATOM 0 H ASP A 86 0.484 1.326 -15.642 1.00 35.21 H new ATOM 0 HA ASP A 86 2.464 0.458 -17.608 1.00 52.40 H new ATOM 0 HB2 ASP A 86 3.806 1.655 -15.823 1.00 41.43 H new ATOM 0 HB3 ASP A 86 3.067 0.648 -14.595 1.00 41.43 H new ATOM 1443 N PRO A 87 1.380 -1.841 -17.319 1.00 73.53 N ATOM 1444 CA PRO A 87 0.906 -3.238 -17.125 1.00 35.02 C ATOM 1445 C PRO A 87 1.978 -4.124 -16.453 1.00 40.35 C ATOM 1446 O PRO A 87 1.646 -5.125 -15.809 1.00 70.01 O ATOM 1447 CB PRO A 87 0.577 -3.728 -18.571 1.00 72.11 C ATOM 1448 CG PRO A 87 0.665 -2.506 -19.445 1.00 31.21 C ATOM 1449 CD PRO A 87 1.622 -1.563 -18.754 1.00 52.50 C ATOM 0 HA PRO A 87 0.045 -3.293 -16.458 1.00 35.02 H new ATOM 0 HB2 PRO A 87 1.283 -4.493 -18.895 1.00 72.11 H new ATOM 0 HB3 PRO A 87 -0.418 -4.172 -18.617 1.00 72.11 H new ATOM 0 HG2 PRO A 87 1.024 -2.765 -20.441 1.00 31.21 H new ATOM 0 HG3 PRO A 87 -0.315 -2.045 -19.569 1.00 31.21 H new ATOM 0 HD2 PRO A 87 2.657 -1.760 -19.035 1.00 52.50 H new ATOM 0 HD3 PRO A 87 1.416 -0.522 -19.005 1.00 52.50 H new ATOM 1457 N ASN A 88 3.267 -3.728 -16.606 1.00 22.23 N ATOM 1458 CA ASN A 88 4.424 -4.473 -16.059 1.00 73.13 C ATOM 1459 C ASN A 88 4.491 -4.330 -14.531 1.00 75.23 C ATOM 1460 O ASN A 88 5.147 -5.140 -13.873 1.00 44.40 O ATOM 1461 CB ASN A 88 5.761 -3.986 -16.689 1.00 70.43 C ATOM 1462 CG ASN A 88 5.798 -4.121 -18.211 1.00 34.01 C ATOM 1463 OD1 ASN A 88 6.214 -5.147 -18.749 1.00 54.30 O ATOM 1464 ND2 ASN A 88 5.355 -3.091 -18.917 1.00 53.11 N ATOM 0 H ASN A 88 3.531 -2.883 -17.112 1.00 22.23 H new ATOM 0 HA ASN A 88 4.284 -5.523 -16.314 1.00 73.13 H new ATOM 0 HB2 ASN A 88 5.922 -2.942 -16.420 1.00 70.43 H new ATOM 0 HB3 ASN A 88 6.585 -4.556 -16.261 1.00 70.43 H new ATOM 0 HD21 ASN A 88 5.352 -3.135 -19.936 1.00 53.11 H new ATOM 0 HD22 ASN A 88 5.017 -2.255 -18.441 1.00 53.11 H new ATOM 1471 N ALA A 89 3.804 -3.297 -13.989 1.00 42.40 N ATOM 1472 CA ALA A 89 3.708 -3.040 -12.545 1.00 32.41 C ATOM 1473 C ALA A 89 2.977 -4.196 -11.828 1.00 75.44 C ATOM 1474 O ALA A 89 1.765 -4.152 -11.602 1.00 72.44 O ATOM 1475 CB ALA A 89 3.034 -1.685 -12.291 1.00 54.44 C ATOM 0 H ALA A 89 3.298 -2.615 -14.554 1.00 42.40 H new ATOM 0 HA ALA A 89 4.713 -2.992 -12.127 1.00 32.41 H new ATOM 0 HB1 ALA A 89 2.969 -1.507 -11.218 1.00 54.44 H new ATOM 0 HB2 ALA A 89 3.622 -0.893 -12.755 1.00 54.44 H new ATOM 0 HB3 ALA A 89 2.032 -1.691 -12.719 1.00 54.44 H new ATOM 1481 N THR A 90 3.749 -5.247 -11.536 1.00 14.34 N ATOM 1482 CA THR A 90 3.292 -6.455 -10.862 1.00 73.34 C ATOM 1483 C THR A 90 3.651 -6.352 -9.378 1.00 42.53 C ATOM 1484 O THR A 90 4.832 -6.267 -9.017 1.00 22.21 O ATOM 1485 CB THR A 90 3.973 -7.703 -11.513 1.00 43.41 C ATOM 1486 OG1 THR A 90 3.682 -7.725 -12.913 1.00 13.42 O ATOM 1487 CG2 THR A 90 3.513 -9.028 -10.896 1.00 24.04 C ATOM 0 H THR A 90 4.741 -5.276 -11.772 1.00 14.34 H new ATOM 0 HA THR A 90 2.212 -6.563 -10.962 1.00 73.34 H new ATOM 0 HB THR A 90 5.044 -7.610 -11.331 1.00 43.41 H new ATOM 0 HG1 THR A 90 4.145 -6.983 -13.355 1.00 13.42 H new ATOM 0 HG21 THR A 90 4.021 -9.856 -11.391 1.00 24.04 H new ATOM 0 HG22 THR A 90 3.754 -9.037 -9.833 1.00 24.04 H new ATOM 0 HG23 THR A 90 2.436 -9.135 -11.025 1.00 24.04 H new ATOM 1495 N ILE A 91 2.627 -6.348 -8.527 1.00 74.32 N ATOM 1496 CA ILE A 91 2.807 -6.202 -7.082 1.00 14.24 C ATOM 1497 C ILE A 91 2.848 -7.601 -6.446 1.00 44.12 C ATOM 1498 O ILE A 91 2.064 -8.480 -6.807 1.00 51.24 O ATOM 1499 CB ILE A 91 1.697 -5.284 -6.409 1.00 72.40 C ATOM 1500 CG1 ILE A 91 0.277 -5.956 -6.306 1.00 71.24 C ATOM 1501 CG2 ILE A 91 1.589 -3.922 -7.154 1.00 34.40 C ATOM 1502 CD1 ILE A 91 -0.474 -6.132 -7.621 1.00 24.32 C ATOM 0 H ILE A 91 1.654 -6.445 -8.816 1.00 74.32 H new ATOM 0 HA ILE A 91 3.751 -5.688 -6.903 1.00 14.24 H new ATOM 0 HB ILE A 91 2.032 -5.126 -5.384 1.00 72.40 H new ATOM 0 HG12 ILE A 91 0.393 -6.936 -5.842 1.00 71.24 H new ATOM 0 HG13 ILE A 91 -0.339 -5.357 -5.636 1.00 71.24 H new ATOM 0 HG21 ILE A 91 0.824 -3.307 -6.679 1.00 34.40 H new ATOM 0 HG22 ILE A 91 2.548 -3.406 -7.110 1.00 34.40 H new ATOM 0 HG23 ILE A 91 1.319 -4.097 -8.195 1.00 34.40 H new ATOM 0 HD11 ILE A 91 -1.438 -6.604 -7.429 1.00 24.32 H new ATOM 0 HD12 ILE A 91 -0.633 -5.157 -8.083 1.00 24.32 H new ATOM 0 HD13 ILE A 91 0.111 -6.761 -8.293 1.00 24.32 H new ATOM 1514 N THR A 92 3.831 -7.826 -5.565 1.00 61.23 N ATOM 1515 CA THR A 92 3.954 -9.084 -4.816 1.00 60.45 C ATOM 1516 C THR A 92 3.527 -8.810 -3.370 1.00 12.34 C ATOM 1517 O THR A 92 4.304 -8.286 -2.579 1.00 42.43 O ATOM 1518 CB THR A 92 5.436 -9.599 -4.879 1.00 33.43 C ATOM 1519 OG1 THR A 92 5.868 -9.636 -6.251 1.00 24.15 O ATOM 1520 CG2 THR A 92 5.606 -10.999 -4.263 1.00 24.23 C ATOM 0 H THR A 92 4.560 -7.145 -5.352 1.00 61.23 H new ATOM 0 HA THR A 92 3.318 -9.857 -5.247 1.00 60.45 H new ATOM 0 HB THR A 92 6.043 -8.907 -4.295 1.00 33.43 H new ATOM 0 HG1 THR A 92 6.208 -8.754 -6.511 1.00 24.15 H new ATOM 0 HG21 THR A 92 6.650 -11.304 -4.334 1.00 24.23 H new ATOM 0 HG22 THR A 92 5.306 -10.974 -3.215 1.00 24.23 H new ATOM 0 HG23 THR A 92 4.982 -11.712 -4.802 1.00 24.23 H new ATOM 1528 N ARG A 93 2.296 -9.189 -3.020 1.00 34.41 N ATOM 1529 CA ARG A 93 1.710 -8.849 -1.720 1.00 10.34 C ATOM 1530 C ARG A 93 1.896 -10.067 -0.804 1.00 43.24 C ATOM 1531 O ARG A 93 1.196 -11.069 -0.957 1.00 53.14 O ATOM 1532 CB ARG A 93 0.216 -8.430 -1.936 1.00 15.15 C ATOM 1533 CG ARG A 93 -0.520 -7.799 -0.720 1.00 50.13 C ATOM 1534 CD ARG A 93 -1.012 -8.820 0.325 1.00 23.54 C ATOM 1535 NE ARG A 93 -1.921 -8.213 1.307 1.00 24.30 N ATOM 1536 CZ ARG A 93 -2.415 -8.825 2.388 1.00 34.22 C ATOM 1537 NH1 ARG A 93 -2.085 -10.081 2.681 1.00 21.53 N ATOM 1538 NH2 ARG A 93 -3.291 -8.175 3.144 1.00 71.25 N ATOM 0 H ARG A 93 1.681 -9.735 -3.623 1.00 34.41 H new ATOM 0 HA ARG A 93 2.195 -7.999 -1.240 1.00 10.34 H new ATOM 0 HB2 ARG A 93 0.179 -7.719 -2.761 1.00 15.15 H new ATOM 0 HB3 ARG A 93 -0.342 -9.312 -2.250 1.00 15.15 H new ATOM 0 HG2 ARG A 93 0.150 -7.092 -0.232 1.00 50.13 H new ATOM 0 HG3 ARG A 93 -1.375 -7.229 -1.084 1.00 50.13 H new ATOM 0 HD2 ARG A 93 -1.522 -9.639 -0.182 1.00 23.54 H new ATOM 0 HD3 ARG A 93 -0.154 -9.250 0.843 1.00 23.54 H new ATOM 0 HE ARG A 93 -2.198 -7.244 1.151 1.00 24.30 H new ATOM 0 HH11 ARG A 93 -1.444 -10.594 2.076 1.00 21.53 H new ATOM 0 HH12 ARG A 93 -2.473 -10.530 3.511 1.00 21.53 H new ATOM 0 HH21 ARG A 93 -3.575 -7.227 2.896 1.00 71.25 H new ATOM 0 HH22 ARG A 93 -3.681 -8.623 3.973 1.00 71.25 H new ATOM 1552 N THR A 94 2.869 -9.974 0.116 1.00 74.14 N ATOM 1553 CA THR A 94 3.277 -11.079 0.989 1.00 1.34 C ATOM 1554 C THR A 94 3.302 -10.611 2.456 1.00 70.22 C ATOM 1555 O THR A 94 4.080 -9.724 2.811 1.00 4.23 O ATOM 1556 CB THR A 94 4.694 -11.584 0.564 1.00 41.43 C ATOM 1557 OG1 THR A 94 4.675 -12.018 -0.812 1.00 32.51 O ATOM 1558 CG2 THR A 94 5.202 -12.728 1.462 1.00 55.04 C ATOM 0 H THR A 94 3.399 -9.117 0.274 1.00 74.14 H new ATOM 0 HA THR A 94 2.561 -11.895 0.894 1.00 1.34 H new ATOM 0 HB THR A 94 5.381 -10.745 0.679 1.00 41.43 H new ATOM 0 HG1 THR A 94 5.568 -12.331 -1.069 1.00 32.51 H new ATOM 0 HG21 THR A 94 6.190 -13.043 1.126 1.00 55.04 H new ATOM 0 HG22 THR A 94 5.264 -12.381 2.493 1.00 55.04 H new ATOM 0 HG23 THR A 94 4.513 -13.570 1.403 1.00 55.04 H new ATOM 1566 N VAL A 95 2.446 -11.219 3.301 1.00 60.21 N ATOM 1567 CA VAL A 95 2.322 -10.831 4.709 1.00 61.12 C ATOM 1568 C VAL A 95 3.552 -11.352 5.492 1.00 63.24 C ATOM 1569 O VAL A 95 3.999 -12.478 5.289 1.00 53.42 O ATOM 1570 CB VAL A 95 0.953 -11.319 5.333 1.00 54.11 C ATOM 1571 CG1 VAL A 95 0.867 -12.860 5.439 1.00 24.44 C ATOM 1572 CG2 VAL A 95 0.693 -10.633 6.697 1.00 11.34 C ATOM 0 H VAL A 95 1.830 -11.984 3.025 1.00 60.21 H new ATOM 0 HA VAL A 95 2.306 -9.744 4.781 1.00 61.12 H new ATOM 0 HB VAL A 95 0.160 -11.017 4.648 1.00 54.11 H new ATOM 0 HG11 VAL A 95 -0.092 -13.142 5.874 1.00 24.44 H new ATOM 0 HG12 VAL A 95 0.958 -13.299 4.445 1.00 24.44 H new ATOM 0 HG13 VAL A 95 1.674 -13.227 6.073 1.00 24.44 H new ATOM 0 HG21 VAL A 95 -0.254 -10.985 7.106 1.00 11.34 H new ATOM 0 HG22 VAL A 95 1.500 -10.878 7.387 1.00 11.34 H new ATOM 0 HG23 VAL A 95 0.650 -9.553 6.559 1.00 11.34 H new ATOM 1582 N ARG A 96 4.154 -10.469 6.303 1.00 21.14 N ATOM 1583 CA ARG A 96 5.348 -10.780 7.122 1.00 15.44 C ATOM 1584 C ARG A 96 4.955 -10.948 8.600 1.00 60.41 C ATOM 1585 O ARG A 96 5.808 -10.876 9.488 1.00 41.14 O ATOM 1586 CB ARG A 96 6.406 -9.647 6.945 1.00 41.24 C ATOM 1587 CG ARG A 96 6.923 -9.477 5.494 1.00 1.43 C ATOM 1588 CD ARG A 96 7.602 -10.750 4.947 1.00 71.31 C ATOM 1589 NE ARG A 96 8.161 -10.557 3.593 1.00 63.43 N ATOM 1590 CZ ARG A 96 8.483 -11.545 2.739 1.00 44.13 C ATOM 1591 NH1 ARG A 96 8.305 -12.819 3.070 1.00 63.21 N ATOM 1592 NH2 ARG A 96 8.987 -11.253 1.546 1.00 60.21 N ATOM 0 H ARG A 96 3.827 -9.509 6.414 1.00 21.14 H new ATOM 0 HA ARG A 96 5.784 -11.721 6.787 1.00 15.44 H new ATOM 0 HB2 ARG A 96 5.970 -8.704 7.276 1.00 41.24 H new ATOM 0 HB3 ARG A 96 7.254 -9.853 7.598 1.00 41.24 H new ATOM 0 HG2 ARG A 96 6.089 -9.208 4.845 1.00 1.43 H new ATOM 0 HG3 ARG A 96 7.632 -8.650 5.461 1.00 1.43 H new ATOM 0 HD2 ARG A 96 8.399 -11.053 5.626 1.00 71.31 H new ATOM 0 HD3 ARG A 96 6.877 -11.563 4.924 1.00 71.31 H new ATOM 0 HE ARG A 96 8.315 -9.598 3.281 1.00 63.43 H new ATOM 0 HH11 ARG A 96 7.919 -13.060 3.983 1.00 63.21 H new ATOM 0 HH12 ARG A 96 8.554 -13.557 2.411 1.00 63.21 H new ATOM 0 HH21 ARG A 96 9.130 -10.280 1.277 1.00 60.21 H new ATOM 0 HH22 ARG A 96 9.231 -12.002 0.898 1.00 60.21 H new ATOM 1606 N THR A 97 3.654 -11.188 8.843 1.00 73.10 N ATOM 1607 CA THR A 97 3.089 -11.321 10.190 1.00 32.11 C ATOM 1608 C THR A 97 2.108 -12.512 10.204 1.00 12.41 C ATOM 1609 O THR A 97 1.001 -12.425 9.658 1.00 45.20 O ATOM 1610 CB THR A 97 2.379 -9.994 10.627 1.00 4.32 C ATOM 1611 OG1 THR A 97 3.309 -8.909 10.525 1.00 61.33 O ATOM 1612 CG2 THR A 97 1.845 -10.054 12.073 1.00 13.45 C ATOM 0 H THR A 97 2.963 -11.295 8.101 1.00 73.10 H new ATOM 0 HA THR A 97 3.889 -11.509 10.906 1.00 32.11 H new ATOM 0 HB THR A 97 1.526 -9.849 9.964 1.00 4.32 H new ATOM 0 HG1 THR A 97 3.305 -8.395 11.360 1.00 61.33 H new ATOM 0 HG21 THR A 97 1.363 -9.109 12.322 1.00 13.45 H new ATOM 0 HG22 THR A 97 1.121 -10.864 12.160 1.00 13.45 H new ATOM 0 HG23 THR A 97 2.673 -10.231 12.760 1.00 13.45 H new ATOM 1620 N GLU A 98 2.534 -13.624 10.844 1.00 0.23 N ATOM 1621 CA GLU A 98 1.818 -14.916 10.796 1.00 74.02 C ATOM 1622 C GLU A 98 0.953 -15.090 12.057 1.00 34.13 C ATOM 1623 O GLU A 98 0.972 -16.145 12.710 1.00 54.35 O ATOM 1624 CB GLU A 98 2.856 -16.076 10.631 1.00 51.11 C ATOM 1625 CG GLU A 98 3.851 -15.878 9.462 1.00 1.55 C ATOM 1626 CD GLU A 98 3.176 -15.582 8.104 1.00 73.04 C ATOM 1627 OE1 GLU A 98 2.593 -16.512 7.501 1.00 2.02 O ATOM 1628 OE2 GLU A 98 3.237 -14.417 7.627 1.00 33.24 O ATOM 0 H GLU A 98 3.384 -13.650 11.408 1.00 0.23 H new ATOM 0 HA GLU A 98 1.145 -14.939 9.939 1.00 74.02 H new ATOM 0 HB2 GLU A 98 3.419 -16.179 11.559 1.00 51.11 H new ATOM 0 HB3 GLU A 98 2.317 -17.011 10.480 1.00 51.11 H new ATOM 0 HG2 GLU A 98 4.525 -15.057 9.707 1.00 1.55 H new ATOM 0 HG3 GLU A 98 4.463 -16.775 9.364 1.00 1.55 H new ATOM 1635 N VAL A 99 0.200 -14.028 12.398 1.00 5.01 N ATOM 1636 CA VAL A 99 -0.727 -14.038 13.540 1.00 3.51 C ATOM 1637 C VAL A 99 -2.133 -14.452 13.070 1.00 73.01 C ATOM 1638 O VAL A 99 -2.393 -14.567 11.864 1.00 61.12 O ATOM 1639 CB VAL A 99 -0.771 -12.644 14.274 1.00 44.15 C ATOM 1640 CG1 VAL A 99 0.630 -12.262 14.814 1.00 73.45 C ATOM 1641 CG2 VAL A 99 -1.364 -11.524 13.370 1.00 71.44 C ATOM 0 H VAL A 99 0.218 -13.143 11.891 1.00 5.01 H new ATOM 0 HA VAL A 99 -0.362 -14.768 14.263 1.00 3.51 H new ATOM 0 HB VAL A 99 -1.444 -12.744 15.126 1.00 44.15 H new ATOM 0 HG11 VAL A 99 0.575 -11.296 15.317 1.00 73.45 H new ATOM 0 HG12 VAL A 99 0.967 -13.020 15.521 1.00 73.45 H new ATOM 0 HG13 VAL A 99 1.335 -12.200 13.985 1.00 73.45 H new ATOM 0 HG21 VAL A 99 -1.374 -10.582 13.918 1.00 71.44 H new ATOM 0 HG22 VAL A 99 -0.751 -11.417 12.475 1.00 71.44 H new ATOM 0 HG23 VAL A 99 -2.382 -11.788 13.084 1.00 71.44 H new ATOM 1651 N GLY A 100 -3.017 -14.690 14.041 1.00 70.11 N ATOM 1652 CA GLY A 100 -4.384 -15.114 13.772 1.00 52.03 C ATOM 1653 C GLY A 100 -4.859 -16.126 14.796 1.00 44.03 C ATOM 1654 O GLY A 100 -4.162 -17.116 15.055 1.00 2.13 O ATOM 0 H GLY A 100 -2.801 -14.593 15.033 1.00 70.11 H new ATOM 0 HA2 GLY A 100 -5.044 -14.247 13.781 1.00 52.03 H new ATOM 0 HA3 GLY A 100 -4.442 -15.549 12.774 1.00 52.03 H new ATOM 1658 N SER A 101 -6.043 -15.891 15.381 1.00 15.44 N ATOM 1659 CA SER A 101 -6.604 -16.771 16.408 1.00 2.15 C ATOM 1660 C SER A 101 -8.146 -16.748 16.337 1.00 31.52 C ATOM 1661 O SER A 101 -8.785 -15.768 16.741 1.00 33.42 O ATOM 1662 CB SER A 101 -6.077 -16.360 17.815 1.00 42.20 C ATOM 1663 OG SER A 101 -6.288 -14.978 18.067 1.00 20.25 O ATOM 0 H SER A 101 -6.633 -15.090 15.155 1.00 15.44 H new ATOM 0 HA SER A 101 -6.281 -17.796 16.226 1.00 2.15 H new ATOM 0 HB2 SER A 101 -6.580 -16.951 18.580 1.00 42.20 H new ATOM 0 HB3 SER A 101 -5.013 -16.586 17.886 1.00 42.20 H new ATOM 0 HG SER A 101 -7.164 -14.712 17.718 1.00 20.25 H new ATOM 1669 N SER A 102 -8.722 -17.828 15.774 1.00 60.14 N ATOM 1670 CA SER A 102 -10.171 -18.095 15.782 1.00 54.54 C ATOM 1671 C SER A 102 -10.532 -18.875 17.068 1.00 23.14 C ATOM 1672 O SER A 102 -11.304 -19.840 17.055 1.00 62.44 O ATOM 1673 CB SER A 102 -10.530 -18.884 14.496 1.00 11.41 C ATOM 1674 OG SER A 102 -9.672 -20.002 14.322 1.00 51.02 O ATOM 0 H SER A 102 -8.184 -18.550 15.294 1.00 60.14 H new ATOM 0 HA SER A 102 -10.748 -17.170 15.786 1.00 54.54 H new ATOM 0 HB2 SER A 102 -11.565 -19.222 14.551 1.00 11.41 H new ATOM 0 HB3 SER A 102 -10.455 -18.226 13.630 1.00 11.41 H new ATOM 0 HG SER A 102 -9.922 -20.482 13.505 1.00 51.02 H new ATOM 1680 N TRP A 103 -9.972 -18.393 18.188 1.00 43.42 N ATOM 1681 CA TRP A 103 -9.949 -19.097 19.469 1.00 13.10 C ATOM 1682 C TRP A 103 -11.179 -18.704 20.314 1.00 25.10 C ATOM 1683 O TRP A 103 -11.191 -17.658 20.973 1.00 42.22 O ATOM 1684 CB TRP A 103 -8.603 -18.750 20.165 1.00 34.42 C ATOM 1685 CG TRP A 103 -8.301 -19.520 21.430 1.00 33.32 C ATOM 1686 CD1 TRP A 103 -8.510 -20.852 21.665 1.00 44.14 C ATOM 1687 CD2 TRP A 103 -7.686 -19.001 22.617 1.00 54.04 C ATOM 1688 NE1 TRP A 103 -8.089 -21.177 22.928 1.00 11.52 N ATOM 1689 CE2 TRP A 103 -7.570 -20.061 23.529 1.00 45.52 C ATOM 1690 CE3 TRP A 103 -7.227 -17.735 22.996 1.00 42.31 C ATOM 1691 CZ2 TRP A 103 -7.024 -19.898 24.801 1.00 55.51 C ATOM 1692 CZ3 TRP A 103 -6.678 -17.573 24.254 1.00 62.10 C ATOM 1693 CH2 TRP A 103 -6.574 -18.650 25.144 1.00 72.21 C ATOM 0 H TRP A 103 -9.514 -17.482 18.224 1.00 43.42 H new ATOM 0 HA TRP A 103 -10.009 -20.177 19.335 1.00 13.10 H new ATOM 0 HB2 TRP A 103 -7.794 -18.921 19.455 1.00 34.42 H new ATOM 0 HB3 TRP A 103 -8.601 -17.686 20.400 1.00 34.42 H new ATOM 0 HD1 TRP A 103 -8.943 -21.545 20.959 1.00 44.14 H new ATOM 0 HE1 TRP A 103 -8.152 -22.102 23.353 1.00 11.52 H new ATOM 0 HE3 TRP A 103 -7.300 -16.898 22.317 1.00 42.31 H new ATOM 0 HZ2 TRP A 103 -6.958 -20.726 25.492 1.00 55.51 H new ATOM 0 HZ3 TRP A 103 -6.323 -16.599 24.556 1.00 62.10 H new ATOM 0 HH2 TRP A 103 -6.132 -18.494 26.117 1.00 72.21 H new ATOM 1704 N SER A 104 -12.233 -19.529 20.228 1.00 32.34 N ATOM 1705 CA SER A 104 -13.490 -19.310 20.963 1.00 53.54 C ATOM 1706 C SER A 104 -13.449 -20.004 22.338 1.00 34.54 C ATOM 1707 O SER A 104 -13.154 -21.204 22.425 1.00 62.44 O ATOM 1708 CB SER A 104 -14.672 -19.827 20.119 1.00 22.41 C ATOM 1709 OG SER A 104 -14.472 -21.179 19.730 1.00 74.02 O ATOM 0 H SER A 104 -12.239 -20.367 19.647 1.00 32.34 H new ATOM 0 HA SER A 104 -13.620 -18.242 21.139 1.00 53.54 H new ATOM 0 HB2 SER A 104 -15.596 -19.743 20.692 1.00 22.41 H new ATOM 0 HB3 SER A 104 -14.789 -19.204 19.232 1.00 22.41 H new ATOM 0 HG SER A 104 -13.907 -21.630 20.392 1.00 74.02 H new ATOM 1715 N LEU A 105 -13.714 -19.229 23.411 1.00 34.23 N ATOM 1716 CA LEU A 105 -13.801 -19.752 24.786 1.00 15.42 C ATOM 1717 C LEU A 105 -15.227 -19.502 25.310 1.00 31.22 C ATOM 1718 O LEU A 105 -15.477 -18.554 26.062 1.00 55.03 O ATOM 1719 CB LEU A 105 -12.739 -19.115 25.749 1.00 1.21 C ATOM 1720 CG LEU A 105 -11.223 -19.206 25.330 1.00 20.14 C ATOM 1721 CD1 LEU A 105 -10.860 -18.145 24.262 1.00 32.33 C ATOM 1722 CD2 LEU A 105 -10.284 -19.099 26.566 1.00 73.12 C ATOM 0 H LEU A 105 -13.873 -18.224 23.346 1.00 34.23 H new ATOM 0 HA LEU A 105 -13.581 -20.819 24.762 1.00 15.42 H new ATOM 0 HB2 LEU A 105 -12.990 -18.062 25.875 1.00 1.21 H new ATOM 0 HB3 LEU A 105 -12.846 -19.587 26.726 1.00 1.21 H new ATOM 0 HG LEU A 105 -11.073 -20.188 24.882 1.00 20.14 H new ATOM 0 HD11 LEU A 105 -9.806 -18.239 23.999 1.00 32.33 H new ATOM 0 HD12 LEU A 105 -11.471 -18.300 23.373 1.00 32.33 H new ATOM 0 HD13 LEU A 105 -11.046 -17.148 24.662 1.00 32.33 H new ATOM 0 HD21 LEU A 105 -9.246 -19.166 26.241 1.00 73.12 H new ATOM 0 HD22 LEU A 105 -10.447 -18.144 27.066 1.00 73.12 H new ATOM 0 HD23 LEU A 105 -10.500 -19.912 27.259 1.00 73.12 H new ATOM 1734 N GLU A 106 -16.167 -20.333 24.839 1.00 25.12 N ATOM 1735 CA GLU A 106 -17.584 -20.256 25.232 1.00 21.40 C ATOM 1736 C GLU A 106 -17.825 -21.271 26.366 1.00 24.45 C ATOM 1737 O GLU A 106 -17.588 -22.472 26.199 1.00 75.43 O ATOM 1738 CB GLU A 106 -18.549 -20.477 24.011 1.00 44.52 C ATOM 1739 CG GLU A 106 -18.550 -21.874 23.344 1.00 2.11 C ATOM 1740 CD GLU A 106 -17.221 -22.246 22.662 1.00 45.51 C ATOM 1741 OE1 GLU A 106 -17.006 -21.842 21.502 1.00 11.53 O ATOM 1742 OE2 GLU A 106 -16.387 -22.947 23.286 1.00 43.24 O ATOM 0 H GLU A 106 -15.967 -21.080 24.173 1.00 25.12 H new ATOM 0 HA GLU A 106 -17.810 -19.253 25.594 1.00 21.40 H new ATOM 0 HB2 GLU A 106 -19.565 -20.262 24.342 1.00 44.52 H new ATOM 0 HB3 GLU A 106 -18.300 -19.740 23.248 1.00 44.52 H new ATOM 0 HG2 GLU A 106 -18.781 -22.625 24.099 1.00 2.11 H new ATOM 0 HG3 GLU A 106 -19.349 -21.911 22.603 1.00 2.11 H new ATOM 1749 N HIS A 107 -18.236 -20.770 27.542 1.00 64.34 N ATOM 1750 CA HIS A 107 -18.385 -21.591 28.759 1.00 44.34 C ATOM 1751 C HIS A 107 -19.491 -21.019 29.657 1.00 4.33 C ATOM 1752 O HIS A 107 -19.518 -19.811 29.925 1.00 54.42 O ATOM 1753 CB HIS A 107 -17.034 -21.694 29.533 1.00 71.41 C ATOM 1754 CG HIS A 107 -16.463 -20.375 29.983 1.00 63.31 C ATOM 1755 ND1 HIS A 107 -16.391 -19.991 31.304 1.00 74.04 N ATOM 1756 CD2 HIS A 107 -15.939 -19.349 29.269 1.00 3.23 C ATOM 1757 CE1 HIS A 107 -15.852 -18.789 31.380 1.00 22.02 C ATOM 1758 NE2 HIS A 107 -15.571 -18.378 30.160 1.00 43.34 N ATOM 0 H HIS A 107 -18.474 -19.788 27.678 1.00 64.34 H new ATOM 0 HA HIS A 107 -18.673 -22.599 28.460 1.00 44.34 H new ATOM 0 HB2 HIS A 107 -17.180 -22.328 30.407 1.00 71.41 H new ATOM 0 HB3 HIS A 107 -16.303 -22.192 28.896 1.00 71.41 H new ATOM 0 HD2 HIS A 107 -15.832 -19.306 28.195 1.00 3.23 H new ATOM 0 HE1 HIS A 107 -15.671 -18.235 32.289 1.00 22.02 H new ATOM 0 HE2 HIS A 107 -15.148 -17.482 29.919 1.00 43.34 H new ATOM 1767 N HIS A 108 -20.421 -21.899 30.050 1.00 54.25 N ATOM 1768 CA HIS A 108 -21.421 -21.647 31.090 1.00 45.35 C ATOM 1769 C HIS A 108 -22.012 -23.013 31.487 1.00 3.11 C ATOM 1770 O HIS A 108 -22.731 -23.637 30.706 1.00 23.41 O ATOM 1771 CB HIS A 108 -22.515 -20.614 30.639 1.00 24.23 C ATOM 1772 CG HIS A 108 -23.401 -21.035 29.495 1.00 41.20 C ATOM 1773 ND1 HIS A 108 -22.968 -21.120 28.192 1.00 4.03 N ATOM 1774 CD2 HIS A 108 -24.706 -21.403 29.476 1.00 62.44 C ATOM 1775 CE1 HIS A 108 -23.963 -21.531 27.428 1.00 34.23 C ATOM 1776 NE2 HIS A 108 -25.022 -21.707 28.180 1.00 53.21 N ATOM 0 H HIS A 108 -20.499 -22.830 29.641 1.00 54.25 H new ATOM 0 HA HIS A 108 -20.955 -21.177 31.956 1.00 45.35 H new ATOM 0 HB2 HIS A 108 -23.148 -20.390 31.497 1.00 24.23 H new ATOM 0 HB3 HIS A 108 -22.015 -19.686 30.361 1.00 24.23 H new ATOM 0 HD2 HIS A 108 -25.372 -21.448 30.325 1.00 62.44 H new ATOM 0 HE1 HIS A 108 -23.913 -21.695 26.362 1.00 34.23 H new ATOM 0 HE2 HIS A 108 -25.935 -22.020 27.852 1.00 53.21 H new ATOM 1785 N HIS A 109 -21.620 -23.521 32.668 1.00 23.45 N ATOM 1786 CA HIS A 109 -22.056 -24.848 33.158 1.00 44.11 C ATOM 1787 C HIS A 109 -23.223 -24.696 34.143 1.00 51.44 C ATOM 1788 O HIS A 109 -23.182 -23.841 35.036 1.00 74.24 O ATOM 1789 CB HIS A 109 -20.880 -25.620 33.808 1.00 23.13 C ATOM 1790 CG HIS A 109 -19.809 -26.034 32.825 1.00 31.34 C ATOM 1791 ND1 HIS A 109 -19.808 -27.252 32.178 1.00 52.21 N ATOM 1792 CD2 HIS A 109 -18.711 -25.380 32.372 1.00 50.32 C ATOM 1793 CE1 HIS A 109 -18.764 -27.329 31.382 1.00 50.43 C ATOM 1794 NE2 HIS A 109 -18.081 -26.210 31.475 1.00 61.01 N ATOM 0 H HIS A 109 -20.996 -23.030 33.309 1.00 23.45 H new ATOM 0 HA HIS A 109 -22.399 -25.430 32.303 1.00 44.11 H new ATOM 0 HB2 HIS A 109 -20.430 -24.996 34.581 1.00 23.13 H new ATOM 0 HB3 HIS A 109 -21.270 -26.509 34.303 1.00 23.13 H new ATOM 0 HD2 HIS A 109 -18.391 -24.390 32.662 1.00 50.32 H new ATOM 0 HE1 HIS A 109 -18.510 -28.172 30.756 1.00 50.43 H new ATOM 0 HE2 HIS A 109 -17.224 -25.993 30.966 1.00 61.01 H new ATOM 1803 N HIS A 110 -24.254 -25.538 33.963 1.00 73.31 N ATOM 1804 CA HIS A 110 -25.498 -25.487 34.745 1.00 23.23 C ATOM 1805 C HIS A 110 -26.012 -26.918 34.959 1.00 73.23 C ATOM 1806 O HIS A 110 -26.321 -27.622 33.991 1.00 2.54 O ATOM 1807 CB HIS A 110 -26.540 -24.619 34.002 1.00 1.12 C ATOM 1808 CG HIS A 110 -27.824 -24.421 34.751 1.00 50.30 C ATOM 1809 ND1 HIS A 110 -28.011 -23.408 35.661 1.00 74.51 N ATOM 1810 CD2 HIS A 110 -28.981 -25.113 34.722 1.00 60.51 C ATOM 1811 CE1 HIS A 110 -29.223 -23.489 36.159 1.00 4.52 C ATOM 1812 NE2 HIS A 110 -29.835 -24.513 35.605 1.00 74.53 N ATOM 0 H HIS A 110 -24.246 -26.280 33.263 1.00 73.31 H new ATOM 0 HA HIS A 110 -25.317 -25.034 35.720 1.00 23.23 H new ATOM 0 HB2 HIS A 110 -26.101 -23.644 33.793 1.00 1.12 H new ATOM 0 HB3 HIS A 110 -26.761 -25.081 33.040 1.00 1.12 H new ATOM 0 HD2 HIS A 110 -29.194 -25.980 34.114 1.00 60.51 H new ATOM 0 HE1 HIS A 110 -29.646 -22.826 36.899 1.00 4.52 H new ATOM 0 HE2 HIS A 110 -30.790 -24.811 35.802 1.00 74.53 H new ATOM 1821 N HIS A 111 -26.084 -27.340 36.233 1.00 4.33 N ATOM 1822 CA HIS A 111 -26.465 -28.712 36.629 1.00 72.13 C ATOM 1823 C HIS A 111 -27.328 -28.664 37.899 1.00 42.40 C ATOM 1824 O HIS A 111 -27.045 -27.882 38.814 1.00 14.31 O ATOM 1825 CB HIS A 111 -25.202 -29.601 36.863 1.00 12.34 C ATOM 1826 CG HIS A 111 -24.432 -29.916 35.600 1.00 41.23 C ATOM 1827 ND1 HIS A 111 -24.732 -30.992 34.793 1.00 25.53 N ATOM 1828 CD2 HIS A 111 -23.406 -29.272 34.990 1.00 1.45 C ATOM 1829 CE1 HIS A 111 -23.930 -30.994 33.747 1.00 73.15 C ATOM 1830 NE2 HIS A 111 -23.116 -29.965 33.841 1.00 61.22 N ATOM 0 H HIS A 111 -25.878 -26.734 37.027 1.00 4.33 H new ATOM 0 HA HIS A 111 -27.042 -29.158 35.819 1.00 72.13 H new ATOM 0 HB2 HIS A 111 -24.539 -29.095 37.565 1.00 12.34 H new ATOM 0 HB3 HIS A 111 -25.509 -30.536 37.332 1.00 12.34 H new ATOM 0 HD2 HIS A 111 -22.910 -28.380 35.343 1.00 1.45 H new ATOM 0 HE1 HIS A 111 -23.940 -31.719 32.947 1.00 73.15 H new ATOM 0 HE2 HIS A 111 -22.388 -29.722 33.169 1.00 61.22 H new ATOM 1839 N HIS A 112 -28.394 -29.494 37.930 1.00 13.23 N ATOM 1840 CA HIS A 112 -29.338 -29.582 39.071 1.00 74.32 C ATOM 1841 C HIS A 112 -30.129 -30.921 39.002 1.00 11.41 C ATOM 1842 O HIS A 112 -30.816 -31.181 37.989 1.00 72.05 O ATOM 1843 CB HIS A 112 -30.301 -28.349 39.140 1.00 62.15 C ATOM 1844 CG HIS A 112 -31.130 -28.121 37.904 1.00 71.52 C ATOM 1845 ND1 HIS A 112 -32.464 -28.457 37.815 1.00 31.31 N ATOM 1846 CD2 HIS A 112 -30.799 -27.601 36.703 1.00 23.54 C ATOM 1847 CE1 HIS A 112 -32.911 -28.160 36.613 1.00 5.51 C ATOM 1848 NE2 HIS A 112 -31.923 -27.640 35.918 1.00 73.40 N ATOM 1849 OXT HIS A 112 -30.053 -31.713 39.963 1.00 37.69 O ATOM 0 H HIS A 112 -28.626 -30.125 37.163 1.00 13.23 H new ATOM 0 HA HIS A 112 -28.755 -29.566 39.992 1.00 74.32 H new ATOM 0 HB2 HIS A 112 -30.971 -28.477 39.990 1.00 62.15 H new ATOM 0 HB3 HIS A 112 -29.709 -27.454 39.333 1.00 62.15 H new ATOM 0 HD2 HIS A 112 -29.829 -27.224 36.414 1.00 23.54 H new ATOM 0 HE1 HIS A 112 -33.919 -28.317 36.258 1.00 5.51 H new ATOM 0 HE2 HIS A 112 -31.983 -27.318 34.952 1.00 73.40 H new TER 1858 HIS A 112