USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 909 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 83 ASN :FLIP amide:sc= -0.0101 F(o=-1.4,f=-0.022) USER MOD Set 1.2: A 97 MET CE :methyl -134:sc= -0.0115 (180deg=-1.96) USER MOD Set 2.1: A 9 THR OG1 : rot -101:sc= 0.991 USER MOD Set 2.2: A 11 SER OG : rot 14:sc= -2.26! USER MOD Set 2.3: A 53 THR OG1 : rot -64:sc= 1.44 USER MOD Set 3.1: A 7 MET CE :methyl -127:sc= -0.82 (180deg=-1.16) USER MOD Set 3.2: A 22 THR OG1 : rot -160:sc= -1.79! USER MOD Single : A 1 MET CE :methyl -162:sc= -0.0765 (180deg=-0.484) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.588 (180deg=-0.3!) USER MOD Single : A 2 LYS NZ :NH3+ -171:sc= -0.0071 (180deg=-0.0949) USER MOD Single : A 5 HIS : +bothHN:sc= 0.475 K(o=0.47,f=-4!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -150:sc= -1.28 USER MOD Single : A 26 MET CE :methyl 166:sc= -0.0756 (180deg=-0.461) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= -0.0626 (180deg=-0.453) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.138 USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= -0.0195 (180deg=-0.135) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= 0.433 K(o=0.43,f=-0.6) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 173:sc= 2.37 (180deg=2.32) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 174:sc= 0.727 (180deg=0.654) USER MOD Single : A 95 HIS : no HD1:sc= 1.28 K(o=1.3,f=-6.3!) USER MOD Single : A 100 SER OG : rot -99:sc= 1.92 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.802 -8.094 31.427 1.00 73.43 N ATOM 2 CA MET A 1 4.702 -8.212 29.945 1.00 34.52 C ATOM 3 C MET A 1 4.961 -6.865 29.254 1.00 41.52 C ATOM 4 O MET A 1 4.450 -5.826 29.678 1.00 4.23 O ATOM 5 CB MET A 1 3.324 -8.752 29.532 1.00 43.31 C ATOM 6 CG MET A 1 2.159 -7.859 29.936 1.00 21.53 C ATOM 7 SD MET A 1 2.023 -7.664 31.724 1.00 53.21 S ATOM 8 CE MET A 1 1.640 -9.342 32.230 1.00 54.21 C ATOM 0 H1 MET A 1 5.372 -8.880 31.800 1.00 73.43 H new ATOM 0 H2 MET A 1 5.254 -7.190 31.674 1.00 73.43 H new ATOM 0 H3 MET A 1 3.850 -8.129 31.843 1.00 73.43 H new ATOM 0 HA MET A 1 5.471 -8.915 29.624 1.00 34.52 H new ATOM 0 HB2 MET A 1 3.307 -8.885 28.450 1.00 43.31 H new ATOM 0 HB3 MET A 1 3.184 -9.737 29.977 1.00 43.31 H new ATOM 0 HG2 MET A 1 2.281 -6.879 29.475 1.00 21.53 H new ATOM 0 HG3 MET A 1 1.231 -8.280 29.548 1.00 21.53 H new ATOM 0 HE1 MET A 1 1.219 -9.332 33.235 1.00 54.21 H new ATOM 0 HE2 MET A 1 0.918 -9.775 31.538 1.00 54.21 H new ATOM 0 HE3 MET A 1 2.551 -9.941 32.225 1.00 54.21 H new ATOM 20 N LYS A 2 5.762 -6.891 28.190 1.00 45.35 N ATOM 21 CA LYS A 2 6.045 -5.695 27.388 1.00 4.43 C ATOM 22 C LYS A 2 6.643 -6.107 26.025 1.00 73.31 C ATOM 23 O LYS A 2 7.862 -6.141 25.854 1.00 71.11 O ATOM 24 CB LYS A 2 6.994 -4.742 28.154 1.00 73.31 C ATOM 25 CG LYS A 2 7.029 -3.296 27.632 1.00 10.25 C ATOM 26 CD LYS A 2 7.794 -3.153 26.315 1.00 52.44 C ATOM 27 CE LYS A 2 7.842 -1.706 25.837 1.00 64.43 C ATOM 28 NZ LYS A 2 6.490 -1.178 25.516 1.00 4.44 N ATOM 0 H LYS A 2 6.232 -7.734 27.859 1.00 45.35 H new ATOM 0 HA LYS A 2 5.114 -5.158 27.205 1.00 4.43 H new ATOM 0 HB2 LYS A 2 6.698 -4.726 29.203 1.00 73.31 H new ATOM 0 HB3 LYS A 2 8.004 -5.151 28.114 1.00 73.31 H new ATOM 0 HG2 LYS A 2 6.008 -2.941 27.493 1.00 10.25 H new ATOM 0 HG3 LYS A 2 7.489 -2.655 28.384 1.00 10.25 H new ATOM 0 HD2 LYS A 2 8.810 -3.526 26.443 1.00 52.44 H new ATOM 0 HD3 LYS A 2 7.321 -3.771 25.552 1.00 52.44 H new ATOM 0 HE2 LYS A 2 8.300 -1.085 26.607 1.00 64.43 H new ATOM 0 HE3 LYS A 2 8.477 -1.637 24.954 1.00 64.43 H new ATOM 0 HZ1 LYS A 2 6.580 -0.251 25.053 1.00 4.44 H new ATOM 0 HZ2 LYS A 2 6.002 -1.838 24.877 1.00 4.44 H new ATOM 0 HZ3 LYS A 2 5.940 -1.075 26.393 1.00 4.44 H new ATOM 42 N PRO A 3 5.785 -6.476 25.052 1.00 34.35 N ATOM 43 CA PRO A 3 6.215 -6.873 23.711 1.00 22.25 C ATOM 44 C PRO A 3 6.274 -5.688 22.727 1.00 13.51 C ATOM 45 O PRO A 3 5.272 -5.003 22.498 1.00 73.25 O ATOM 46 CB PRO A 3 5.128 -7.881 23.285 1.00 54.35 C ATOM 47 CG PRO A 3 3.977 -7.702 24.245 1.00 75.33 C ATOM 48 CD PRO A 3 4.328 -6.563 25.174 1.00 13.41 C ATOM 0 HA PRO A 3 7.226 -7.280 23.709 1.00 22.25 H new ATOM 0 HB2 PRO A 3 4.809 -7.697 22.259 1.00 54.35 H new ATOM 0 HB3 PRO A 3 5.509 -8.901 23.322 1.00 54.35 H new ATOM 0 HG2 PRO A 3 3.057 -7.484 23.703 1.00 75.33 H new ATOM 0 HG3 PRO A 3 3.804 -8.618 24.810 1.00 75.33 H new ATOM 0 HD2 PRO A 3 3.842 -5.634 24.876 1.00 13.41 H new ATOM 0 HD3 PRO A 3 4.020 -6.769 26.199 1.00 13.41 H new ATOM 56 N GLU A 4 7.449 -5.441 22.151 1.00 35.34 N ATOM 57 CA GLU A 4 7.609 -4.363 21.172 1.00 42.05 C ATOM 58 C GLU A 4 7.088 -4.780 19.788 1.00 61.04 C ATOM 59 O GLU A 4 7.851 -5.216 18.922 1.00 34.32 O ATOM 60 CB GLU A 4 9.075 -3.915 21.077 1.00 54.31 C ATOM 61 CG GLU A 4 9.604 -3.272 22.354 1.00 63.22 C ATOM 62 CD GLU A 4 11.000 -2.696 22.187 1.00 44.53 C ATOM 63 OE1 GLU A 4 11.124 -1.552 21.692 1.00 3.34 O ATOM 64 OE2 GLU A 4 11.982 -3.377 22.547 1.00 72.44 O ATOM 0 H GLU A 4 8.301 -5.968 22.343 1.00 35.34 H new ATOM 0 HA GLU A 4 7.012 -3.519 21.519 1.00 42.05 H new ATOM 0 HB2 GLU A 4 9.694 -4.778 20.832 1.00 54.31 H new ATOM 0 HB3 GLU A 4 9.176 -3.206 20.255 1.00 54.31 H new ATOM 0 HG2 GLU A 4 8.924 -2.479 22.665 1.00 63.22 H new ATOM 0 HG3 GLU A 4 9.615 -4.015 23.152 1.00 63.22 H new ATOM 71 N HIS A 5 5.772 -4.691 19.612 1.00 2.12 N ATOM 72 CA HIS A 5 5.149 -4.914 18.306 1.00 62.31 C ATOM 73 C HIS A 5 3.804 -4.181 18.209 1.00 2.02 C ATOM 74 O HIS A 5 2.737 -4.790 18.288 1.00 51.13 O ATOM 75 CB HIS A 5 4.963 -6.414 18.016 1.00 65.20 C ATOM 76 CG HIS A 5 4.403 -6.696 16.644 1.00 53.22 C ATOM 77 ND1 HIS A 5 3.050 -6.716 16.377 1.00 24.24 N ATOM 78 CD2 HIS A 5 5.015 -6.954 15.459 1.00 50.05 C ATOM 79 CE1 HIS A 5 2.853 -6.976 15.100 1.00 44.44 C ATOM 80 NE2 HIS A 5 4.026 -7.122 14.520 1.00 2.34 N ATOM 0 H HIS A 5 5.114 -4.466 20.358 1.00 2.12 H new ATOM 0 HA HIS A 5 5.823 -4.508 17.551 1.00 62.31 H new ATOM 0 HB2 HIS A 5 5.924 -6.918 18.118 1.00 65.20 H new ATOM 0 HB3 HIS A 5 4.298 -6.841 18.766 1.00 65.20 H new ATOM 0 HD1 HIS A 5 2.313 -6.554 17.064 1.00 24.24 H new ATOM 0 HD2 HIS A 5 6.079 -7.016 15.287 1.00 50.05 H new ATOM 0 HE1 HIS A 5 1.893 -7.056 14.612 1.00 44.44 H new ATOM 0 HE2 HIS A 5 4.176 -7.327 13.532 1.00 2.34 H new ATOM 89 N ARG A 6 3.870 -2.863 18.093 1.00 33.15 N ATOM 90 CA ARG A 6 2.694 -2.047 17.779 1.00 12.43 C ATOM 91 C ARG A 6 2.610 -1.853 16.262 1.00 63.33 C ATOM 92 O ARG A 6 3.172 -2.640 15.500 1.00 74.15 O ATOM 93 CB ARG A 6 2.781 -0.674 18.476 1.00 53.50 C ATOM 94 CG ARG A 6 2.486 -0.683 19.977 1.00 51.20 C ATOM 95 CD ARG A 6 3.497 -1.502 20.774 1.00 64.21 C ATOM 96 NE ARG A 6 3.307 -1.342 22.215 1.00 15.22 N ATOM 97 CZ ARG A 6 2.446 -2.021 22.925 1.00 23.14 C ATOM 98 NH1 ARG A 6 1.670 -2.895 22.373 1.00 52.15 N ATOM 99 NH2 ARG A 6 2.354 -1.809 24.197 1.00 71.43 N ATOM 0 H ARG A 6 4.730 -2.327 18.212 1.00 33.15 H new ATOM 0 HA ARG A 6 1.801 -2.558 18.139 1.00 12.43 H new ATOM 0 HB2 ARG A 6 3.781 -0.269 18.321 1.00 53.50 H new ATOM 0 HB3 ARG A 6 2.083 0.007 17.989 1.00 53.50 H new ATOM 0 HG2 ARG A 6 2.483 0.342 20.348 1.00 51.20 H new ATOM 0 HG3 ARG A 6 1.487 -1.086 20.144 1.00 51.20 H new ATOM 0 HD2 ARG A 6 3.402 -2.555 20.509 1.00 64.21 H new ATOM 0 HD3 ARG A 6 4.508 -1.195 20.504 1.00 64.21 H new ATOM 0 HE ARG A 6 3.885 -0.654 22.698 1.00 15.22 H new ATOM 0 HH11 ARG A 6 1.724 -3.063 21.368 1.00 52.15 H new ATOM 0 HH12 ARG A 6 1.003 -3.417 22.942 1.00 52.15 H new ATOM 0 HH21 ARG A 6 2.952 -1.114 24.643 1.00 71.43 H new ATOM 0 HH22 ARG A 6 1.683 -2.337 24.755 1.00 71.43 H new ATOM 113 N MET A 7 1.901 -0.826 15.816 1.00 33.24 N ATOM 114 CA MET A 7 1.979 -0.428 14.413 1.00 52.11 C ATOM 115 C MET A 7 3.083 0.625 14.240 1.00 52.30 C ATOM 116 O MET A 7 2.843 1.831 14.357 1.00 63.13 O ATOM 117 CB MET A 7 0.626 0.083 13.893 1.00 10.55 C ATOM 118 CG MET A 7 -0.021 1.160 14.752 1.00 25.44 C ATOM 119 SD MET A 7 -1.513 1.831 13.993 1.00 50.22 S ATOM 120 CE MET A 7 -0.836 2.496 12.472 1.00 63.23 C ATOM 0 H MET A 7 1.276 -0.261 16.390 1.00 33.24 H new ATOM 0 HA MET A 7 2.231 -1.304 13.815 1.00 52.11 H new ATOM 0 HB2 MET A 7 0.764 0.476 12.886 1.00 10.55 H new ATOM 0 HB3 MET A 7 -0.060 -0.761 13.815 1.00 10.55 H new ATOM 0 HG2 MET A 7 -0.268 0.744 15.729 1.00 25.44 H new ATOM 0 HG3 MET A 7 0.693 1.966 14.920 1.00 25.44 H new ATOM 0 HE1 MET A 7 -1.129 3.541 12.370 1.00 63.23 H new ATOM 0 HE2 MET A 7 0.251 2.425 12.496 1.00 63.23 H new ATOM 0 HE3 MET A 7 -1.218 1.927 11.624 1.00 63.23 H new ATOM 130 N ASP A 8 4.308 0.146 14.027 1.00 72.14 N ATOM 131 CA ASP A 8 5.480 1.016 13.897 1.00 3.40 C ATOM 132 C ASP A 8 5.282 2.103 12.828 1.00 51.10 C ATOM 133 O ASP A 8 4.775 1.839 11.737 1.00 74.13 O ATOM 134 CB ASP A 8 6.724 0.178 13.570 1.00 62.42 C ATOM 135 CG ASP A 8 7.169 -0.682 14.740 1.00 53.34 C ATOM 136 OD1 ASP A 8 6.496 -1.687 15.041 1.00 61.43 O ATOM 137 OD2 ASP A 8 8.197 -0.353 15.376 1.00 52.01 O ATOM 0 H ASP A 8 4.517 -0.849 13.940 1.00 72.14 H new ATOM 0 HA ASP A 8 5.618 1.521 14.853 1.00 3.40 H new ATOM 0 HB2 ASP A 8 6.513 -0.461 12.713 1.00 62.42 H new ATOM 0 HB3 ASP A 8 7.539 0.841 13.280 1.00 62.42 H new ATOM 142 N THR A 9 5.687 3.330 13.154 1.00 75.42 N ATOM 143 CA THR A 9 5.583 4.448 12.207 1.00 11.23 C ATOM 144 C THR A 9 6.569 4.276 11.041 1.00 50.24 C ATOM 145 O THR A 9 7.486 3.453 11.109 1.00 31.22 O ATOM 146 CB THR A 9 5.832 5.813 12.896 1.00 35.44 C ATOM 147 OG1 THR A 9 5.624 6.878 11.958 1.00 3.34 O ATOM 148 CG2 THR A 9 7.247 5.897 13.466 1.00 51.45 C ATOM 0 H THR A 9 6.088 3.578 14.059 1.00 75.42 H new ATOM 0 HA THR A 9 4.564 4.439 11.821 1.00 11.23 H new ATOM 0 HB THR A 9 5.126 5.908 13.721 1.00 35.44 H new ATOM 0 HG1 THR A 9 6.490 7.202 11.634 1.00 3.34 H new ATOM 0 HG21 THR A 9 7.390 6.867 13.943 1.00 51.45 H new ATOM 0 HG22 THR A 9 7.390 5.106 14.202 1.00 51.45 H new ATOM 0 HG23 THR A 9 7.971 5.778 12.660 1.00 51.45 H new ATOM 156 N ILE A 10 6.403 5.072 9.988 1.00 4.13 N ATOM 157 CA ILE A 10 7.186 4.901 8.756 1.00 62.31 C ATOM 158 C ILE A 10 8.709 4.986 9.004 1.00 71.32 C ATOM 159 O ILE A 10 9.499 4.362 8.288 1.00 31.13 O ATOM 160 CB ILE A 10 6.739 5.912 7.667 1.00 21.20 C ATOM 161 CG1 ILE A 10 5.259 5.663 7.312 1.00 63.30 C ATOM 162 CG2 ILE A 10 7.616 5.806 6.422 1.00 54.31 C ATOM 163 CD1 ILE A 10 4.748 6.479 6.139 1.00 3.10 C ATOM 0 H ILE A 10 5.735 5.843 9.958 1.00 4.13 H new ATOM 0 HA ILE A 10 6.984 3.893 8.392 1.00 62.31 H new ATOM 0 HB ILE A 10 6.850 6.922 8.061 1.00 21.20 H new ATOM 0 HG12 ILE A 10 5.125 4.605 7.088 1.00 63.30 H new ATOM 0 HG13 ILE A 10 4.647 5.884 8.186 1.00 63.30 H new ATOM 0 HG21 ILE A 10 7.279 6.526 5.677 1.00 54.31 H new ATOM 0 HG22 ILE A 10 8.652 6.017 6.688 1.00 54.31 H new ATOM 0 HG23 ILE A 10 7.545 4.799 6.011 1.00 54.31 H new ATOM 0 HD11 ILE A 10 3.700 6.241 5.959 1.00 3.10 H new ATOM 0 HD12 ILE A 10 4.845 7.541 6.365 1.00 3.10 H new ATOM 0 HD13 ILE A 10 5.331 6.242 5.249 1.00 3.10 H new ATOM 175 N SER A 11 9.119 5.730 10.029 1.00 30.21 N ATOM 176 CA SER A 11 10.536 5.755 10.444 1.00 30.23 C ATOM 177 C SER A 11 10.973 4.404 11.038 1.00 72.30 C ATOM 178 O SER A 11 12.089 3.939 10.801 1.00 3.12 O ATOM 179 CB SER A 11 10.794 6.873 11.467 1.00 1.30 C ATOM 180 OG SER A 11 10.626 8.158 10.886 1.00 52.14 O ATOM 0 H SER A 11 8.504 6.321 10.588 1.00 30.21 H new ATOM 0 HA SER A 11 11.126 5.950 9.549 1.00 30.23 H new ATOM 0 HB2 SER A 11 10.112 6.761 12.310 1.00 1.30 H new ATOM 0 HB3 SER A 11 11.806 6.780 11.862 1.00 1.30 H new ATOM 0 HG SER A 11 10.170 8.070 10.023 1.00 52.14 H new ATOM 186 N LYS A 12 10.080 3.771 11.797 1.00 54.01 N ATOM 187 CA LYS A 12 10.382 2.500 12.476 1.00 34.13 C ATOM 188 C LYS A 12 10.026 1.261 11.635 1.00 74.13 C ATOM 189 O LYS A 12 10.320 0.135 12.045 1.00 11.30 O ATOM 190 CB LYS A 12 9.653 2.432 13.828 1.00 34.33 C ATOM 191 CG LYS A 12 10.233 3.347 14.902 1.00 72.35 C ATOM 192 CD LYS A 12 11.601 2.854 15.380 1.00 41.01 C ATOM 193 CE LYS A 12 11.523 1.438 15.954 1.00 5.10 C ATOM 194 NZ LYS A 12 12.851 0.934 16.393 1.00 34.41 N ATOM 0 H LYS A 12 9.134 4.116 11.961 1.00 54.01 H new ATOM 0 HA LYS A 12 11.461 2.483 12.628 1.00 34.13 H new ATOM 0 HB2 LYS A 12 8.605 2.690 13.675 1.00 34.33 H new ATOM 0 HB3 LYS A 12 9.679 1.404 14.190 1.00 34.33 H new ATOM 0 HG2 LYS A 12 10.327 4.359 14.507 1.00 72.35 H new ATOM 0 HG3 LYS A 12 9.547 3.397 15.748 1.00 72.35 H new ATOM 0 HD2 LYS A 12 12.305 2.871 14.548 1.00 41.01 H new ATOM 0 HD3 LYS A 12 11.988 3.534 16.139 1.00 41.01 H new ATOM 0 HE2 LYS A 12 10.835 1.428 16.800 1.00 5.10 H new ATOM 0 HE3 LYS A 12 11.112 0.765 15.201 1.00 5.10 H new ATOM 0 HZ1 LYS A 12 12.748 -0.028 16.774 1.00 34.41 H new ATOM 0 HZ2 LYS A 12 13.501 0.917 15.582 1.00 34.41 H new ATOM 0 HZ3 LYS A 12 13.233 1.560 17.130 1.00 34.41 H new ATOM 208 N LEU A 13 9.392 1.457 10.478 1.00 1.52 N ATOM 209 CA LEU A 13 9.053 0.332 9.593 1.00 0.25 C ATOM 210 C LEU A 13 10.297 -0.492 9.228 1.00 3.23 C ATOM 211 O LEU A 13 11.137 -0.073 8.430 1.00 65.21 O ATOM 212 CB LEU A 13 8.338 0.823 8.327 1.00 13.22 C ATOM 213 CG LEU A 13 6.910 1.343 8.553 1.00 13.41 C ATOM 214 CD1 LEU A 13 6.273 1.770 7.235 1.00 62.43 C ATOM 215 CD2 LEU A 13 6.056 0.286 9.254 1.00 22.52 C ATOM 0 H LEU A 13 9.104 2.372 10.131 1.00 1.52 H new ATOM 0 HA LEU A 13 8.371 -0.319 10.140 1.00 0.25 H new ATOM 0 HB2 LEU A 13 8.932 1.618 7.877 1.00 13.22 H new ATOM 0 HB3 LEU A 13 8.302 0.005 7.607 1.00 13.22 H new ATOM 0 HG LEU A 13 6.965 2.219 9.199 1.00 13.41 H new ATOM 0 HD11 LEU A 13 5.263 2.134 7.420 1.00 62.43 H new ATOM 0 HD12 LEU A 13 6.868 2.564 6.784 1.00 62.43 H new ATOM 0 HD13 LEU A 13 6.232 0.917 6.557 1.00 62.43 H new ATOM 0 HD21 LEU A 13 5.049 0.674 9.405 1.00 22.52 H new ATOM 0 HD22 LEU A 13 6.011 -0.612 8.638 1.00 22.52 H new ATOM 0 HD23 LEU A 13 6.499 0.042 10.219 1.00 22.52 H new ATOM 227 N GLU A 14 10.400 -1.663 9.839 1.00 72.34 N ATOM 228 CA GLU A 14 11.564 -2.539 9.692 1.00 73.55 C ATOM 229 C GLU A 14 11.306 -3.661 8.673 1.00 0.44 C ATOM 230 O GLU A 14 10.251 -4.299 8.691 1.00 21.12 O ATOM 231 CB GLU A 14 11.898 -3.130 11.069 1.00 60.01 C ATOM 232 CG GLU A 14 13.037 -4.140 11.080 1.00 34.33 C ATOM 233 CD GLU A 14 13.345 -4.640 12.485 1.00 51.00 C ATOM 234 OE1 GLU A 14 12.576 -5.476 13.009 1.00 0.22 O ATOM 235 OE2 GLU A 14 14.352 -4.197 13.075 1.00 32.14 O ATOM 0 H GLU A 14 9.678 -2.038 10.454 1.00 72.34 H new ATOM 0 HA GLU A 14 12.405 -1.957 9.315 1.00 73.55 H new ATOM 0 HB2 GLU A 14 12.151 -2.314 11.746 1.00 60.01 H new ATOM 0 HB3 GLU A 14 11.004 -3.610 11.468 1.00 60.01 H new ATOM 0 HG2 GLU A 14 12.777 -4.986 10.443 1.00 34.33 H new ATOM 0 HG3 GLU A 14 13.930 -3.683 10.654 1.00 34.33 H new ATOM 242 N GLU A 15 12.270 -3.897 7.784 1.00 41.41 N ATOM 243 CA GLU A 15 12.136 -4.944 6.764 1.00 1.23 C ATOM 244 C GLU A 15 11.952 -6.338 7.396 1.00 55.35 C ATOM 245 O GLU A 15 12.588 -6.673 8.397 1.00 13.41 O ATOM 246 CB GLU A 15 13.354 -4.949 5.826 1.00 14.32 C ATOM 247 CG GLU A 15 14.677 -5.278 6.514 1.00 55.33 C ATOM 248 CD GLU A 15 15.822 -5.450 5.530 1.00 71.02 C ATOM 249 OE1 GLU A 15 15.818 -6.452 4.776 1.00 24.01 O ATOM 250 OE2 GLU A 15 16.729 -4.590 5.501 1.00 32.52 O ATOM 0 H GLU A 15 13.149 -3.382 7.747 1.00 41.41 H new ATOM 0 HA GLU A 15 11.241 -4.717 6.185 1.00 1.23 H new ATOM 0 HB2 GLU A 15 13.182 -5.674 5.030 1.00 14.32 H new ATOM 0 HB3 GLU A 15 13.438 -3.970 5.353 1.00 14.32 H new ATOM 0 HG2 GLU A 15 14.924 -4.483 7.217 1.00 55.33 H new ATOM 0 HG3 GLU A 15 14.562 -6.193 7.095 1.00 55.33 H new ATOM 257 N GLY A 16 11.072 -7.143 6.803 1.00 53.22 N ATOM 258 CA GLY A 16 10.775 -8.468 7.340 1.00 11.00 C ATOM 259 C GLY A 16 9.680 -8.452 8.405 1.00 20.41 C ATOM 260 O GLY A 16 9.142 -9.501 8.771 1.00 40.12 O ATOM 0 H GLY A 16 10.556 -6.903 5.957 1.00 53.22 H new ATOM 0 HA2 GLY A 16 10.471 -9.124 6.524 1.00 11.00 H new ATOM 0 HA3 GLY A 16 11.683 -8.892 7.768 1.00 11.00 H new ATOM 264 N ALA A 17 9.347 -7.262 8.902 1.00 63.14 N ATOM 265 CA ALA A 17 8.337 -7.113 9.951 1.00 32.10 C ATOM 266 C ALA A 17 6.916 -7.023 9.376 1.00 12.31 C ATOM 267 O ALA A 17 6.658 -6.271 8.431 1.00 70.30 O ATOM 268 CB ALA A 17 8.640 -5.883 10.800 1.00 11.22 C ATOM 0 H ALA A 17 9.763 -6.383 8.594 1.00 63.14 H new ATOM 0 HA ALA A 17 8.380 -8.005 10.576 1.00 32.10 H new ATOM 0 HB1 ALA A 17 7.882 -5.782 11.577 1.00 11.22 H new ATOM 0 HB2 ALA A 17 9.621 -5.992 11.262 1.00 11.22 H new ATOM 0 HB3 ALA A 17 8.633 -4.994 10.169 1.00 11.22 H new ATOM 274 N GLU A 18 6.001 -7.808 9.941 1.00 71.21 N ATOM 275 CA GLU A 18 4.584 -7.734 9.575 1.00 43.15 C ATOM 276 C GLU A 18 3.839 -6.770 10.508 1.00 1.14 C ATOM 277 O GLU A 18 3.685 -7.040 11.704 1.00 73.42 O ATOM 278 CB GLU A 18 3.932 -9.123 9.636 1.00 21.30 C ATOM 279 CG GLU A 18 2.471 -9.126 9.193 1.00 0.40 C ATOM 280 CD GLU A 18 1.806 -10.481 9.361 1.00 55.23 C ATOM 281 OE1 GLU A 18 2.029 -11.368 8.509 1.00 14.11 O ATOM 282 OE2 GLU A 18 1.057 -10.667 10.341 1.00 35.03 O ATOM 0 H GLU A 18 6.214 -8.504 10.655 1.00 71.21 H new ATOM 0 HA GLU A 18 4.519 -7.362 8.553 1.00 43.15 H new ATOM 0 HB2 GLU A 18 4.497 -9.810 9.005 1.00 21.30 H new ATOM 0 HB3 GLU A 18 3.996 -9.502 10.656 1.00 21.30 H new ATOM 0 HG2 GLU A 18 1.920 -8.383 9.769 1.00 0.40 H new ATOM 0 HG3 GLU A 18 2.413 -8.826 8.147 1.00 0.40 H new ATOM 289 N THR A 19 3.399 -5.639 9.963 1.00 0.22 N ATOM 290 CA THR A 19 2.671 -4.630 10.746 1.00 54.01 C ATOM 291 C THR A 19 1.686 -3.839 9.873 1.00 75.23 C ATOM 292 O THR A 19 1.920 -3.655 8.679 1.00 12.04 O ATOM 293 CB THR A 19 3.639 -3.627 11.429 1.00 3.44 C ATOM 294 OG1 THR A 19 2.897 -2.615 12.127 1.00 74.23 O ATOM 295 CG2 THR A 19 4.568 -2.970 10.412 1.00 22.23 C ATOM 0 H THR A 19 3.531 -5.393 8.982 1.00 0.22 H new ATOM 0 HA THR A 19 2.120 -5.179 11.510 1.00 54.01 H new ATOM 0 HB THR A 19 4.248 -4.187 12.139 1.00 3.44 H new ATOM 0 HG1 THR A 19 3.412 -1.781 12.138 1.00 74.23 H new ATOM 0 HG21 THR A 19 5.233 -2.274 10.923 1.00 22.23 H new ATOM 0 HG22 THR A 19 5.160 -3.736 9.912 1.00 22.23 H new ATOM 0 HG23 THR A 19 3.975 -2.430 9.673 1.00 22.23 H new ATOM 303 N PRO A 20 0.553 -3.385 10.444 1.00 10.32 N ATOM 304 CA PRO A 20 -0.336 -2.433 9.764 1.00 4.02 C ATOM 305 C PRO A 20 0.305 -1.037 9.659 1.00 33.24 C ATOM 306 O PRO A 20 1.000 -0.593 10.576 1.00 3.44 O ATOM 307 CB PRO A 20 -1.582 -2.404 10.664 1.00 23.35 C ATOM 308 CG PRO A 20 -1.082 -2.798 12.015 1.00 1.30 C ATOM 309 CD PRO A 20 0.041 -3.773 11.774 1.00 30.25 C ATOM 0 HA PRO A 20 -0.557 -2.724 8.737 1.00 4.02 H new ATOM 0 HB2 PRO A 20 -2.034 -1.412 10.683 1.00 23.35 H new ATOM 0 HB3 PRO A 20 -2.345 -3.096 10.307 1.00 23.35 H new ATOM 0 HG2 PRO A 20 -0.731 -1.928 12.570 1.00 1.30 H new ATOM 0 HG3 PRO A 20 -1.875 -3.255 12.607 1.00 1.30 H new ATOM 0 HD2 PRO A 20 0.812 -3.694 12.540 1.00 30.25 H new ATOM 0 HD3 PRO A 20 -0.313 -4.804 11.783 1.00 30.25 H new ATOM 317 N VAL A 21 0.073 -0.346 8.544 1.00 73.50 N ATOM 318 CA VAL A 21 0.689 0.967 8.301 1.00 52.34 C ATOM 319 C VAL A 21 -0.366 2.049 8.022 1.00 22.42 C ATOM 320 O VAL A 21 -1.454 1.762 7.525 1.00 62.12 O ATOM 321 CB VAL A 21 1.687 0.912 7.113 1.00 20.44 C ATOM 322 CG1 VAL A 21 2.840 -0.045 7.412 1.00 54.31 C ATOM 323 CG2 VAL A 21 0.977 0.514 5.817 1.00 50.53 C ATOM 0 H VAL A 21 -0.536 -0.669 7.792 1.00 73.50 H new ATOM 0 HA VAL A 21 1.228 1.228 9.212 1.00 52.34 H new ATOM 0 HB VAL A 21 2.101 1.912 6.979 1.00 20.44 H new ATOM 0 HG11 VAL A 21 3.525 -0.066 6.564 1.00 54.31 H new ATOM 0 HG12 VAL A 21 3.373 0.293 8.301 1.00 54.31 H new ATOM 0 HG13 VAL A 21 2.446 -1.047 7.584 1.00 54.31 H new ATOM 0 HG21 VAL A 21 1.699 0.483 5.001 1.00 50.53 H new ATOM 0 HG22 VAL A 21 0.524 -0.470 5.938 1.00 50.53 H new ATOM 0 HG23 VAL A 21 0.202 1.245 5.588 1.00 50.53 H new ATOM 333 N THR A 22 -0.032 3.296 8.348 1.00 44.45 N ATOM 334 CA THR A 22 -0.929 4.435 8.105 1.00 4.42 C ATOM 335 C THR A 22 -0.204 5.543 7.337 1.00 34.24 C ATOM 336 O THR A 22 0.969 5.820 7.594 1.00 51.14 O ATOM 337 CB THR A 22 -1.475 5.030 9.427 1.00 4.43 C ATOM 338 OG1 THR A 22 -2.153 4.020 10.186 1.00 73.45 O ATOM 339 CG2 THR A 22 -2.436 6.187 9.159 1.00 52.21 C ATOM 0 H THR A 22 0.855 3.549 8.783 1.00 44.45 H new ATOM 0 HA THR A 22 -1.763 4.055 7.515 1.00 4.42 H new ATOM 0 HB THR A 22 -0.624 5.406 9.994 1.00 4.43 H new ATOM 0 HG1 THR A 22 -2.752 4.445 10.835 1.00 73.45 H new ATOM 0 HG21 THR A 22 -2.802 6.583 10.106 1.00 52.21 H new ATOM 0 HG22 THR A 22 -1.915 6.974 8.614 1.00 52.21 H new ATOM 0 HG23 THR A 22 -3.278 5.831 8.565 1.00 52.21 H new ATOM 347 N GLY A 23 -0.901 6.173 6.398 1.00 20.43 N ATOM 348 CA GLY A 23 -0.301 7.251 5.625 1.00 45.14 C ATOM 349 C GLY A 23 -1.313 8.050 4.810 1.00 52.14 C ATOM 350 O GLY A 23 -2.369 7.540 4.432 1.00 74.21 O ATOM 0 H GLY A 23 -1.869 5.959 6.157 1.00 20.43 H new ATOM 0 HA2 GLY A 23 0.222 7.926 6.302 1.00 45.14 H new ATOM 0 HA3 GLY A 23 0.447 6.832 4.952 1.00 45.14 H new ATOM 354 N ARG A 24 -0.983 9.307 4.541 1.00 41.41 N ATOM 355 CA ARG A 24 -1.846 10.191 3.752 1.00 51.43 C ATOM 356 C ARG A 24 -1.571 10.013 2.248 1.00 24.31 C ATOM 357 O ARG A 24 -0.464 10.287 1.777 1.00 53.33 O ATOM 358 CB ARG A 24 -1.605 11.646 4.182 1.00 54.43 C ATOM 359 CG ARG A 24 -1.662 11.843 5.698 1.00 2.12 C ATOM 360 CD ARG A 24 -1.450 13.298 6.107 1.00 0.12 C ATOM 361 NE ARG A 24 -1.392 13.447 7.562 1.00 21.41 N ATOM 362 CZ ARG A 24 -2.379 13.881 8.299 1.00 11.33 C ATOM 363 NH1 ARG A 24 -3.496 14.252 7.758 1.00 10.30 N ATOM 364 NH2 ARG A 24 -2.240 13.965 9.583 1.00 20.25 N ATOM 0 H ARG A 24 -0.118 9.744 4.858 1.00 41.41 H new ATOM 0 HA ARG A 24 -2.890 9.933 3.931 1.00 51.43 H new ATOM 0 HB2 ARG A 24 -0.630 11.970 3.816 1.00 54.43 H new ATOM 0 HB3 ARG A 24 -2.351 12.286 3.711 1.00 54.43 H new ATOM 0 HG2 ARG A 24 -2.628 11.502 6.069 1.00 2.12 H new ATOM 0 HG3 ARG A 24 -0.901 11.222 6.171 1.00 2.12 H new ATOM 0 HD2 ARG A 24 -0.525 13.669 5.666 1.00 0.12 H new ATOM 0 HD3 ARG A 24 -2.260 13.910 5.710 1.00 0.12 H new ATOM 0 HE ARG A 24 -0.522 13.195 8.032 1.00 21.41 H new ATOM 0 HH11 ARG A 24 -3.612 14.207 6.746 1.00 10.30 H new ATOM 0 HH12 ARG A 24 -4.259 14.589 8.344 1.00 10.30 H new ATOM 0 HH21 ARG A 24 -1.359 13.692 10.020 1.00 20.25 H new ATOM 0 HH22 ARG A 24 -3.011 14.304 10.158 1.00 20.25 H new ATOM 378 N VAL A 25 -2.570 9.540 1.502 1.00 13.44 N ATOM 379 CA VAL A 25 -2.399 9.244 0.073 1.00 72.14 C ATOM 380 C VAL A 25 -2.091 10.506 -0.747 1.00 64.11 C ATOM 381 O VAL A 25 -2.951 11.367 -0.934 1.00 34.24 O ATOM 382 CB VAL A 25 -3.652 8.559 -0.526 1.00 23.41 C ATOM 383 CG1 VAL A 25 -3.445 8.253 -2.006 1.00 53.55 C ATOM 384 CG2 VAL A 25 -3.996 7.288 0.244 1.00 4.45 C ATOM 0 H VAL A 25 -3.507 9.353 1.860 1.00 13.44 H new ATOM 0 HA VAL A 25 -1.550 8.564 0.012 1.00 72.14 H new ATOM 0 HB VAL A 25 -4.491 9.249 -0.434 1.00 23.41 H new ATOM 0 HG11 VAL A 25 -4.337 7.772 -2.406 1.00 53.55 H new ATOM 0 HG12 VAL A 25 -3.259 9.181 -2.547 1.00 53.55 H new ATOM 0 HG13 VAL A 25 -2.590 7.587 -2.124 1.00 53.55 H new ATOM 0 HG21 VAL A 25 -4.879 6.824 -0.195 1.00 4.45 H new ATOM 0 HG22 VAL A 25 -3.158 6.593 0.192 1.00 4.45 H new ATOM 0 HG23 VAL A 25 -4.197 7.537 1.286 1.00 4.45 H new ATOM 394 N MET A 26 -0.862 10.607 -1.244 1.00 32.43 N ATOM 395 CA MET A 26 -0.457 11.755 -2.062 1.00 22.31 C ATOM 396 C MET A 26 -0.321 11.377 -3.547 1.00 40.43 C ATOM 397 O MET A 26 -0.676 12.159 -4.430 1.00 13.35 O ATOM 398 CB MET A 26 0.859 12.342 -1.533 1.00 10.12 C ATOM 399 CG MET A 26 1.318 13.593 -2.274 1.00 4.40 C ATOM 400 SD MET A 26 2.730 14.389 -1.482 1.00 1.14 S ATOM 401 CE MET A 26 3.933 13.059 -1.500 1.00 61.14 C ATOM 0 H MET A 26 -0.129 9.913 -1.098 1.00 32.43 H new ATOM 0 HA MET A 26 -1.240 12.510 -1.988 1.00 22.31 H new ATOM 0 HB2 MET A 26 0.740 12.580 -0.476 1.00 10.12 H new ATOM 0 HB3 MET A 26 1.638 11.583 -1.603 1.00 10.12 H new ATOM 0 HG2 MET A 26 1.582 13.328 -3.298 1.00 4.40 H new ATOM 0 HG3 MET A 26 0.491 14.301 -2.331 1.00 4.40 H new ATOM 0 HE1 MET A 26 4.922 13.460 -1.278 1.00 61.14 H new ATOM 0 HE2 MET A 26 3.665 12.316 -0.749 1.00 61.14 H new ATOM 0 HE3 MET A 26 3.944 12.592 -2.485 1.00 61.14 H new ATOM 411 N LYS A 27 0.199 10.179 -3.821 1.00 73.13 N ATOM 412 CA LYS A 27 0.378 9.709 -5.205 1.00 44.53 C ATOM 413 C LYS A 27 -0.246 8.317 -5.418 1.00 40.25 C ATOM 414 O LYS A 27 0.044 7.380 -4.677 1.00 5.41 O ATOM 415 CB LYS A 27 1.875 9.646 -5.555 1.00 2.34 C ATOM 416 CG LYS A 27 2.632 10.960 -5.370 1.00 11.40 C ATOM 417 CD LYS A 27 2.085 12.069 -6.265 1.00 60.02 C ATOM 418 CE LYS A 27 2.989 13.298 -6.260 1.00 3.11 C ATOM 419 NZ LYS A 27 4.357 12.988 -6.760 1.00 61.34 N ATOM 0 H LYS A 27 0.504 9.515 -3.109 1.00 73.13 H new ATOM 0 HA LYS A 27 -0.129 10.420 -5.857 1.00 44.53 H new ATOM 0 HB2 LYS A 27 2.346 8.881 -4.937 1.00 2.34 H new ATOM 0 HB3 LYS A 27 1.978 9.326 -6.592 1.00 2.34 H new ATOM 0 HG2 LYS A 27 2.567 11.271 -4.327 1.00 11.40 H new ATOM 0 HG3 LYS A 27 3.688 10.804 -5.591 1.00 11.40 H new ATOM 0 HD2 LYS A 27 1.983 11.697 -7.284 1.00 60.02 H new ATOM 0 HD3 LYS A 27 1.087 12.350 -5.927 1.00 60.02 H new ATOM 0 HE2 LYS A 27 2.545 14.077 -6.880 1.00 3.11 H new ATOM 0 HE3 LYS A 27 3.055 13.695 -5.247 1.00 3.11 H new ATOM 0 HZ1 LYS A 27 4.824 13.867 -7.060 1.00 61.34 H new ATOM 0 HZ2 LYS A 27 4.911 12.543 -6.001 1.00 61.34 H new ATOM 0 HZ3 LYS A 27 4.292 12.337 -7.568 1.00 61.34 H new ATOM 433 N ILE A 28 -1.103 8.191 -6.432 1.00 44.12 N ATOM 434 CA ILE A 28 -1.651 6.888 -6.838 1.00 33.43 C ATOM 435 C ILE A 28 -1.286 6.562 -8.294 1.00 45.22 C ATOM 436 O ILE A 28 -1.693 7.266 -9.224 1.00 25.12 O ATOM 437 CB ILE A 28 -3.196 6.826 -6.687 1.00 23.23 C ATOM 438 CG1 ILE A 28 -3.599 6.971 -5.212 1.00 71.25 C ATOM 439 CG2 ILE A 28 -3.749 5.524 -7.275 1.00 70.23 C ATOM 440 CD1 ILE A 28 -5.092 6.856 -4.968 1.00 52.04 C ATOM 0 H ILE A 28 -1.436 8.976 -6.991 1.00 44.12 H new ATOM 0 HA ILE A 28 -1.204 6.151 -6.170 1.00 33.43 H new ATOM 0 HB ILE A 28 -3.627 7.658 -7.244 1.00 23.23 H new ATOM 0 HG12 ILE A 28 -3.086 6.207 -4.629 1.00 71.25 H new ATOM 0 HG13 ILE A 28 -3.254 7.938 -4.845 1.00 71.25 H new ATOM 0 HG21 ILE A 28 -4.832 5.503 -7.158 1.00 70.23 H new ATOM 0 HG22 ILE A 28 -3.497 5.467 -8.334 1.00 70.23 H new ATOM 0 HG23 ILE A 28 -3.311 4.674 -6.752 1.00 70.23 H new ATOM 0 HD11 ILE A 28 -5.296 6.969 -3.903 1.00 52.04 H new ATOM 0 HD12 ILE A 28 -5.612 7.637 -5.522 1.00 52.04 H new ATOM 0 HD13 ILE A 28 -5.441 5.879 -5.303 1.00 52.04 H new ATOM 452 N SER A 29 -0.511 5.502 -8.485 1.00 44.42 N ATOM 453 CA SER A 29 -0.158 5.024 -9.827 1.00 41.51 C ATOM 454 C SER A 29 -1.108 3.902 -10.273 1.00 4.11 C ATOM 455 O SER A 29 -1.453 3.016 -9.486 1.00 52.31 O ATOM 456 CB SER A 29 1.296 4.531 -9.860 1.00 13.11 C ATOM 457 OG SER A 29 2.210 5.592 -9.597 1.00 52.14 O ATOM 0 H SER A 29 -0.110 4.950 -7.726 1.00 44.42 H new ATOM 0 HA SER A 29 -0.259 5.859 -10.520 1.00 41.51 H new ATOM 0 HB2 SER A 29 1.431 3.741 -9.121 1.00 13.11 H new ATOM 0 HB3 SER A 29 1.512 4.096 -10.836 1.00 13.11 H new ATOM 0 HG SER A 29 3.127 5.248 -9.623 1.00 52.14 H new ATOM 463 N SER A 30 -1.525 3.944 -11.540 1.00 64.12 N ATOM 464 CA SER A 30 -2.499 2.982 -12.080 1.00 1.04 C ATOM 465 C SER A 30 -1.984 1.533 -12.011 1.00 41.53 C ATOM 466 O SER A 30 -0.775 1.288 -12.070 1.00 24.03 O ATOM 467 CB SER A 30 -2.841 3.333 -13.537 1.00 62.15 C ATOM 468 OG SER A 30 -1.677 3.352 -14.352 1.00 11.23 O ATOM 0 H SER A 30 -1.204 4.636 -12.217 1.00 64.12 H new ATOM 0 HA SER A 30 -3.393 3.050 -11.461 1.00 1.04 H new ATOM 0 HB2 SER A 30 -3.551 2.606 -13.931 1.00 62.15 H new ATOM 0 HB3 SER A 30 -3.329 4.307 -13.573 1.00 62.15 H new ATOM 0 HG SER A 30 -1.926 3.576 -15.273 1.00 11.23 H new ATOM 474 N PRO A 31 -2.897 0.551 -11.874 1.00 52.45 N ATOM 475 CA PRO A 31 -2.531 -0.875 -11.856 1.00 2.01 C ATOM 476 C PRO A 31 -1.827 -1.318 -13.151 1.00 13.52 C ATOM 477 O PRO A 31 -2.403 -1.257 -14.240 1.00 24.42 O ATOM 478 CB PRO A 31 -3.885 -1.596 -11.695 1.00 63.34 C ATOM 479 CG PRO A 31 -4.908 -0.591 -12.113 1.00 25.31 C ATOM 480 CD PRO A 31 -4.350 0.744 -11.710 1.00 61.33 C ATOM 0 HA PRO A 31 -1.821 -1.101 -11.061 1.00 2.01 H new ATOM 0 HB2 PRO A 31 -3.933 -2.490 -12.316 1.00 63.34 H new ATOM 0 HB3 PRO A 31 -4.043 -1.915 -10.665 1.00 63.34 H new ATOM 0 HG2 PRO A 31 -5.084 -0.634 -13.188 1.00 25.31 H new ATOM 0 HG3 PRO A 31 -5.865 -0.779 -11.626 1.00 25.31 H new ATOM 0 HD2 PRO A 31 -4.726 1.548 -12.343 1.00 61.33 H new ATOM 0 HD3 PRO A 31 -4.611 0.999 -10.683 1.00 61.33 H new ATOM 488 N ARG A 32 -0.581 -1.764 -13.027 1.00 73.22 N ATOM 489 CA ARG A 32 0.191 -2.244 -14.174 1.00 51.42 C ATOM 490 C ARG A 32 0.053 -3.765 -14.315 1.00 42.33 C ATOM 491 O ARG A 32 0.278 -4.507 -13.358 1.00 21.11 O ATOM 492 CB ARG A 32 1.668 -1.859 -14.013 1.00 4.22 C ATOM 493 CG ARG A 32 2.528 -2.194 -15.230 1.00 44.15 C ATOM 494 CD ARG A 32 3.981 -1.777 -15.036 1.00 73.23 C ATOM 495 NE ARG A 32 4.781 -2.010 -16.238 1.00 12.41 N ATOM 496 CZ ARG A 32 6.078 -1.862 -16.301 1.00 12.42 C ATOM 497 NH1 ARG A 32 6.753 -1.466 -15.267 1.00 61.12 N ATOM 498 NH2 ARG A 32 6.694 -2.087 -17.413 1.00 21.25 N ATOM 0 H ARG A 32 -0.080 -1.804 -12.140 1.00 73.22 H new ATOM 0 HA ARG A 32 -0.200 -1.776 -15.077 1.00 51.42 H new ATOM 0 HB2 ARG A 32 1.736 -0.789 -13.815 1.00 4.22 H new ATOM 0 HB3 ARG A 32 2.074 -2.371 -13.141 1.00 4.22 H new ATOM 0 HG2 ARG A 32 2.481 -3.266 -15.423 1.00 44.15 H new ATOM 0 HG3 ARG A 32 2.122 -1.694 -16.109 1.00 44.15 H new ATOM 0 HD2 ARG A 32 4.023 -0.720 -14.771 1.00 73.23 H new ATOM 0 HD3 ARG A 32 4.410 -2.332 -14.202 1.00 73.23 H new ATOM 0 HE ARG A 32 4.294 -2.308 -17.083 1.00 12.41 H new ATOM 0 HH11 ARG A 32 6.272 -1.266 -14.390 1.00 61.12 H new ATOM 0 HH12 ARG A 32 7.765 -1.355 -15.331 1.00 61.12 H new ATOM 0 HH21 ARG A 32 6.169 -2.379 -18.237 1.00 21.25 H new ATOM 0 HH22 ARG A 32 7.706 -1.973 -17.467 1.00 21.25 H new ATOM 512 N THR A 33 -0.323 -4.219 -15.509 1.00 13.14 N ATOM 513 CA THR A 33 -0.577 -5.645 -15.758 1.00 61.40 C ATOM 514 C THR A 33 0.697 -6.372 -16.220 1.00 51.51 C ATOM 515 O THR A 33 1.492 -5.822 -16.988 1.00 2.42 O ATOM 516 CB THR A 33 -1.691 -5.836 -16.826 1.00 12.32 C ATOM 517 OG1 THR A 33 -2.726 -4.858 -16.637 1.00 73.12 O ATOM 518 CG2 THR A 33 -2.314 -7.226 -16.738 1.00 53.33 C ATOM 0 H THR A 33 -0.460 -3.622 -16.324 1.00 13.14 H new ATOM 0 HA THR A 33 -0.906 -6.078 -14.813 1.00 61.40 H new ATOM 0 HB THR A 33 -1.230 -5.716 -17.806 1.00 12.32 H new ATOM 0 HG1 THR A 33 -3.423 -4.984 -17.315 1.00 73.12 H new ATOM 0 HG21 THR A 33 -3.089 -7.326 -17.498 1.00 53.33 H new ATOM 0 HG22 THR A 33 -1.545 -7.981 -16.902 1.00 53.33 H new ATOM 0 HG23 THR A 33 -2.754 -7.366 -15.751 1.00 53.33 H new ATOM 526 N PHE A 34 0.888 -7.608 -15.753 1.00 71.31 N ATOM 527 CA PHE A 34 2.069 -8.407 -16.121 1.00 72.33 C ATOM 528 C PHE A 34 1.732 -9.907 -16.195 1.00 54.54 C ATOM 529 O PHE A 34 0.921 -10.410 -15.422 1.00 24.12 O ATOM 530 CB PHE A 34 3.222 -8.170 -15.126 1.00 60.40 C ATOM 531 CG PHE A 34 2.919 -8.591 -13.705 1.00 24.51 C ATOM 532 CD1 PHE A 34 3.144 -9.897 -13.285 1.00 40.43 C ATOM 533 CD2 PHE A 34 2.415 -7.679 -12.787 1.00 41.23 C ATOM 534 CE1 PHE A 34 2.869 -10.281 -11.987 1.00 43.15 C ATOM 535 CE2 PHE A 34 2.141 -8.061 -11.488 1.00 63.41 C ATOM 536 CZ PHE A 34 2.368 -9.363 -11.087 1.00 4.14 C ATOM 0 H PHE A 34 0.243 -8.081 -15.120 1.00 71.31 H new ATOM 0 HA PHE A 34 2.388 -8.082 -17.111 1.00 72.33 H new ATOM 0 HB2 PHE A 34 4.102 -8.712 -15.473 1.00 60.40 H new ATOM 0 HB3 PHE A 34 3.478 -7.110 -15.131 1.00 60.40 H new ATOM 0 HD1 PHE A 34 3.539 -10.621 -13.983 1.00 40.43 H new ATOM 0 HD2 PHE A 34 2.235 -6.659 -13.092 1.00 41.23 H new ATOM 0 HE1 PHE A 34 3.046 -11.300 -11.676 1.00 43.15 H new ATOM 0 HE2 PHE A 34 1.749 -7.341 -10.785 1.00 63.41 H new ATOM 0 HZ PHE A 34 2.154 -9.662 -10.071 1.00 4.14 H new ATOM 546 N THR A 35 2.386 -10.626 -17.102 1.00 32.51 N ATOM 547 CA THR A 35 2.066 -12.042 -17.335 1.00 34.31 C ATOM 548 C THR A 35 2.793 -12.970 -16.350 1.00 62.45 C ATOM 549 O THR A 35 4.005 -13.174 -16.439 1.00 53.54 O ATOM 550 CB THR A 35 2.407 -12.475 -18.787 1.00 61.54 C ATOM 551 OG1 THR A 35 1.593 -11.748 -19.726 1.00 42.23 O ATOM 552 CG2 THR A 35 2.197 -13.976 -18.994 1.00 62.00 C ATOM 0 H THR A 35 3.137 -10.260 -17.687 1.00 32.51 H new ATOM 0 HA THR A 35 0.992 -12.137 -17.175 1.00 34.31 H new ATOM 0 HB THR A 35 3.460 -12.249 -18.955 1.00 61.54 H new ATOM 0 HG1 THR A 35 1.817 -12.027 -20.638 1.00 42.23 H new ATOM 0 HG21 THR A 35 2.446 -14.240 -20.022 1.00 62.00 H new ATOM 0 HG22 THR A 35 2.840 -14.531 -18.311 1.00 62.00 H new ATOM 0 HG23 THR A 35 1.155 -14.228 -18.797 1.00 62.00 H new ATOM 560 N THR A 36 2.042 -13.520 -15.399 1.00 50.24 N ATOM 561 CA THR A 36 2.575 -14.539 -14.482 1.00 70.23 C ATOM 562 C THR A 36 2.211 -15.952 -14.953 1.00 34.21 C ATOM 563 O THR A 36 1.159 -16.168 -15.554 1.00 52.03 O ATOM 564 CB THR A 36 2.066 -14.358 -13.029 1.00 53.14 C ATOM 565 OG1 THR A 36 2.467 -15.487 -12.234 1.00 44.33 O ATOM 566 CG2 THR A 36 0.549 -14.219 -12.984 1.00 43.21 C ATOM 0 H THR A 36 1.063 -13.281 -15.239 1.00 50.24 H new ATOM 0 HA THR A 36 3.657 -14.408 -14.490 1.00 70.23 H new ATOM 0 HB THR A 36 2.504 -13.444 -12.629 1.00 53.14 H new ATOM 0 HG1 THR A 36 2.146 -15.371 -11.315 1.00 44.33 H new ATOM 0 HG21 THR A 36 0.226 -14.094 -11.951 1.00 43.21 H new ATOM 0 HG22 THR A 36 0.246 -13.349 -13.567 1.00 43.21 H new ATOM 0 HG23 THR A 36 0.089 -15.114 -13.402 1.00 43.21 H new ATOM 574 N ARG A 37 3.077 -16.917 -14.658 1.00 34.45 N ATOM 575 CA ARG A 37 2.856 -18.309 -15.068 1.00 44.11 C ATOM 576 C ARG A 37 1.878 -19.034 -14.129 1.00 65.24 C ATOM 577 O ARG A 37 1.599 -20.220 -14.308 1.00 22.54 O ATOM 578 CB ARG A 37 4.192 -19.063 -15.124 1.00 13.15 C ATOM 579 CG ARG A 37 5.146 -18.542 -16.195 1.00 52.31 C ATOM 580 CD ARG A 37 6.455 -19.322 -16.213 1.00 70.41 C ATOM 581 NE ARG A 37 7.210 -19.161 -14.970 1.00 15.43 N ATOM 582 CZ ARG A 37 7.870 -20.120 -14.376 1.00 63.30 C ATOM 583 NH1 ARG A 37 7.873 -21.323 -14.856 1.00 45.50 N ATOM 584 NH2 ARG A 37 8.527 -19.872 -13.293 1.00 53.13 N ATOM 0 H ARG A 37 3.940 -16.765 -14.136 1.00 34.45 H new ATOM 0 HA ARG A 37 2.408 -18.292 -16.062 1.00 44.11 H new ATOM 0 HB2 ARG A 37 4.679 -18.994 -14.151 1.00 13.15 H new ATOM 0 HB3 ARG A 37 3.996 -20.119 -15.308 1.00 13.15 H new ATOM 0 HG2 ARG A 37 4.668 -18.611 -17.172 1.00 52.31 H new ATOM 0 HG3 ARG A 37 5.354 -17.487 -16.015 1.00 52.31 H new ATOM 0 HD2 ARG A 37 6.244 -20.379 -16.374 1.00 70.41 H new ATOM 0 HD3 ARG A 37 7.064 -18.987 -17.052 1.00 70.41 H new ATOM 0 HE ARG A 37 7.222 -18.237 -14.538 1.00 15.43 H new ATOM 0 HH11 ARG A 37 7.355 -21.533 -15.709 1.00 45.50 H new ATOM 0 HH12 ARG A 37 8.393 -22.060 -14.381 1.00 45.50 H new ATOM 0 HH21 ARG A 37 8.530 -18.930 -12.903 1.00 53.13 H new ATOM 0 HH22 ARG A 37 9.043 -20.618 -12.827 1.00 53.13 H new ATOM 598 N LYS A 38 1.357 -18.320 -13.131 1.00 75.01 N ATOM 599 CA LYS A 38 0.403 -18.909 -12.184 1.00 64.31 C ATOM 600 C LYS A 38 -0.990 -19.117 -12.814 1.00 52.12 C ATOM 601 O LYS A 38 -1.622 -20.157 -12.616 1.00 52.13 O ATOM 602 CB LYS A 38 0.288 -18.036 -10.925 1.00 3.24 C ATOM 603 CG LYS A 38 -0.642 -18.616 -9.862 1.00 73.33 C ATOM 604 CD LYS A 38 -0.194 -20.005 -9.409 1.00 40.24 C ATOM 605 CE LYS A 38 -1.154 -20.613 -8.392 1.00 24.32 C ATOM 606 NZ LYS A 38 -1.263 -19.785 -7.161 1.00 62.31 N ATOM 0 H LYS A 38 1.576 -17.339 -12.956 1.00 75.01 H new ATOM 0 HA LYS A 38 0.788 -19.891 -11.909 1.00 64.31 H new ATOM 0 HB2 LYS A 38 1.280 -17.902 -10.494 1.00 3.24 H new ATOM 0 HB3 LYS A 38 -0.072 -17.047 -11.210 1.00 3.24 H new ATOM 0 HG2 LYS A 38 -0.673 -17.946 -9.002 1.00 73.33 H new ATOM 0 HG3 LYS A 38 -1.656 -18.673 -10.259 1.00 73.33 H new ATOM 0 HD2 LYS A 38 -0.120 -20.662 -10.275 1.00 40.24 H new ATOM 0 HD3 LYS A 38 0.803 -19.940 -8.972 1.00 40.24 H new ATOM 0 HE2 LYS A 38 -2.140 -20.721 -8.844 1.00 24.32 H new ATOM 0 HE3 LYS A 38 -0.814 -21.614 -8.126 1.00 24.32 H new ATOM 0 HZ1 LYS A 38 -1.801 -20.305 -6.439 1.00 62.31 H new ATOM 0 HZ2 LYS A 38 -0.311 -19.575 -6.799 1.00 62.31 H new ATOM 0 HZ3 LYS A 38 -1.753 -18.895 -7.384 1.00 62.31 H new ATOM 620 N GLY A 39 -1.474 -18.127 -13.562 1.00 62.15 N ATOM 621 CA GLY A 39 -2.785 -18.252 -14.201 1.00 44.02 C ATOM 622 C GLY A 39 -3.541 -16.933 -14.318 1.00 60.45 C ATOM 623 O GLY A 39 -4.279 -16.720 -15.281 1.00 65.43 O ATOM 0 H GLY A 39 -0.991 -17.246 -13.739 1.00 62.15 H new ATOM 0 HA2 GLY A 39 -2.654 -18.675 -15.197 1.00 44.02 H new ATOM 0 HA3 GLY A 39 -3.390 -18.958 -13.632 1.00 44.02 H new ATOM 627 N ARG A 40 -3.353 -16.037 -13.348 1.00 10.44 N ATOM 628 CA ARG A 40 -4.053 -14.745 -13.348 1.00 44.34 C ATOM 629 C ARG A 40 -3.316 -13.714 -14.218 1.00 3.44 C ATOM 630 O ARG A 40 -2.136 -13.881 -14.530 1.00 51.24 O ATOM 631 CB ARG A 40 -4.221 -14.218 -11.912 1.00 0.04 C ATOM 632 CG ARG A 40 -5.127 -15.092 -11.043 1.00 11.25 C ATOM 633 CD ARG A 40 -5.369 -14.491 -9.659 1.00 13.21 C ATOM 634 NE ARG A 40 -6.329 -15.279 -8.882 1.00 13.42 N ATOM 635 CZ ARG A 40 -6.530 -15.150 -7.597 1.00 63.24 C ATOM 636 NH1 ARG A 40 -5.865 -14.287 -6.905 1.00 2.52 N ATOM 637 NH2 ARG A 40 -7.411 -15.890 -7.009 1.00 72.33 N ATOM 0 H ARG A 40 -2.727 -16.178 -12.555 1.00 10.44 H new ATOM 0 HA ARG A 40 -5.043 -14.902 -13.777 1.00 44.34 H new ATOM 0 HB2 ARG A 40 -3.240 -14.147 -11.443 1.00 0.04 H new ATOM 0 HB3 ARG A 40 -4.631 -13.209 -11.950 1.00 0.04 H new ATOM 0 HG2 ARG A 40 -6.083 -15.232 -11.547 1.00 11.25 H new ATOM 0 HG3 ARG A 40 -4.677 -16.079 -10.933 1.00 11.25 H new ATOM 0 HD2 ARG A 40 -4.424 -14.433 -9.118 1.00 13.21 H new ATOM 0 HD3 ARG A 40 -5.738 -13.471 -9.766 1.00 13.21 H new ATOM 0 HE ARG A 40 -6.880 -15.978 -9.380 1.00 13.42 H new ATOM 0 HH11 ARG A 40 -5.171 -13.694 -7.360 1.00 2.52 H new ATOM 0 HH12 ARG A 40 -6.033 -14.198 -5.903 1.00 2.52 H new ATOM 0 HH21 ARG A 40 -7.946 -16.571 -7.547 1.00 72.33 H new ATOM 0 HH22 ARG A 40 -7.571 -15.793 -6.006 1.00 72.33 H new ATOM 651 N GLU A 41 -4.021 -12.658 -14.622 1.00 0.23 N ATOM 652 CA GLU A 41 -3.466 -11.671 -15.559 1.00 63.41 C ATOM 653 C GLU A 41 -2.342 -10.820 -14.940 1.00 0.24 C ATOM 654 O GLU A 41 -1.628 -10.125 -15.659 1.00 13.05 O ATOM 655 CB GLU A 41 -4.581 -10.768 -16.105 1.00 43.42 C ATOM 656 CG GLU A 41 -5.291 -9.929 -15.050 1.00 2.23 C ATOM 657 CD GLU A 41 -6.427 -9.112 -15.643 1.00 34.24 C ATOM 658 OE1 GLU A 41 -6.168 -8.010 -16.162 1.00 31.45 O ATOM 659 OE2 GLU A 41 -7.586 -9.577 -15.602 1.00 11.33 O ATOM 0 H GLU A 41 -4.975 -12.461 -14.319 1.00 0.23 H new ATOM 0 HA GLU A 41 -3.018 -12.233 -16.378 1.00 63.41 H new ATOM 0 HB2 GLU A 41 -4.156 -10.101 -16.855 1.00 43.42 H new ATOM 0 HB3 GLU A 41 -5.318 -11.390 -16.613 1.00 43.42 H new ATOM 0 HG2 GLU A 41 -5.683 -10.582 -14.270 1.00 2.23 H new ATOM 0 HG3 GLU A 41 -4.573 -9.260 -14.575 1.00 2.23 H new ATOM 666 N GLY A 42 -2.199 -10.875 -13.613 1.00 51.14 N ATOM 667 CA GLY A 42 -1.103 -10.185 -12.933 1.00 33.43 C ATOM 668 C GLY A 42 -1.230 -8.659 -12.935 1.00 11.41 C ATOM 669 O GLY A 42 -1.315 -8.035 -13.987 1.00 31.33 O ATOM 0 H GLY A 42 -2.825 -11.388 -12.992 1.00 51.14 H new ATOM 0 HA2 GLY A 42 -1.053 -10.534 -11.901 1.00 33.43 H new ATOM 0 HA3 GLY A 42 -0.162 -10.461 -13.409 1.00 33.43 H new ATOM 673 N LYS A 43 -1.221 -8.054 -11.749 1.00 24.34 N ATOM 674 CA LYS A 43 -1.330 -6.590 -11.609 1.00 35.53 C ATOM 675 C LYS A 43 -0.547 -6.086 -10.392 1.00 60.12 C ATOM 676 O LYS A 43 -0.415 -6.789 -9.387 1.00 4.40 O ATOM 677 CB LYS A 43 -2.804 -6.162 -11.478 1.00 21.33 C ATOM 678 CG LYS A 43 -3.619 -6.293 -12.764 1.00 61.14 C ATOM 679 CD LYS A 43 -5.118 -6.196 -12.490 1.00 1.33 C ATOM 680 CE LYS A 43 -5.930 -6.015 -13.766 1.00 21.34 C ATOM 681 NZ LYS A 43 -7.387 -6.203 -13.530 1.00 55.42 N ATOM 0 H LYS A 43 -1.139 -8.552 -10.862 1.00 24.34 H new ATOM 0 HA LYS A 43 -0.903 -6.147 -12.509 1.00 35.53 H new ATOM 0 HB2 LYS A 43 -3.276 -6.763 -10.701 1.00 21.33 H new ATOM 0 HB3 LYS A 43 -2.840 -5.125 -11.144 1.00 21.33 H new ATOM 0 HG2 LYS A 43 -3.325 -5.511 -13.464 1.00 61.14 H new ATOM 0 HG3 LYS A 43 -3.396 -7.247 -13.241 1.00 61.14 H new ATOM 0 HD2 LYS A 43 -5.450 -7.098 -11.976 1.00 1.33 H new ATOM 0 HD3 LYS A 43 -5.309 -5.358 -11.819 1.00 1.33 H new ATOM 0 HE2 LYS A 43 -5.754 -5.018 -14.170 1.00 21.34 H new ATOM 0 HE3 LYS A 43 -5.589 -6.728 -14.517 1.00 21.34 H new ATOM 0 HZ1 LYS A 43 -7.903 -6.071 -14.423 1.00 55.42 H new ATOM 0 HZ2 LYS A 43 -7.559 -7.163 -13.169 1.00 55.42 H new ATOM 0 HZ3 LYS A 43 -7.718 -5.506 -12.833 1.00 55.42 H new ATOM 695 N LEU A 44 -0.027 -4.866 -10.494 1.00 64.43 N ATOM 696 CA LEU A 44 0.628 -4.202 -9.364 1.00 22.55 C ATOM 697 C LEU A 44 0.389 -2.685 -9.416 1.00 55.04 C ATOM 698 O LEU A 44 0.445 -2.072 -10.481 1.00 0.42 O ATOM 699 CB LEU A 44 2.136 -4.538 -9.329 1.00 3.13 C ATOM 700 CG LEU A 44 2.962 -4.188 -10.592 1.00 73.13 C ATOM 701 CD1 LEU A 44 3.391 -2.720 -10.599 1.00 71.54 C ATOM 702 CD2 LEU A 44 4.184 -5.099 -10.705 1.00 21.43 C ATOM 0 H LEU A 44 -0.045 -4.313 -11.351 1.00 64.43 H new ATOM 0 HA LEU A 44 0.187 -4.576 -8.440 1.00 22.55 H new ATOM 0 HB2 LEU A 44 2.579 -4.019 -8.479 1.00 3.13 H new ATOM 0 HB3 LEU A 44 2.241 -5.606 -9.140 1.00 3.13 H new ATOM 0 HG LEU A 44 2.320 -4.350 -11.458 1.00 73.13 H new ATOM 0 HD11 LEU A 44 3.968 -2.514 -11.501 1.00 71.54 H new ATOM 0 HD12 LEU A 44 2.507 -2.083 -10.580 1.00 71.54 H new ATOM 0 HD13 LEU A 44 4.004 -2.516 -9.721 1.00 71.54 H new ATOM 0 HD21 LEU A 44 4.751 -4.838 -11.598 1.00 21.43 H new ATOM 0 HD22 LEU A 44 4.815 -4.973 -9.825 1.00 21.43 H new ATOM 0 HD23 LEU A 44 3.859 -6.137 -10.773 1.00 21.43 H new ATOM 714 N ALA A 45 0.096 -2.089 -8.268 1.00 54.02 N ATOM 715 CA ALA A 45 -0.150 -0.646 -8.180 1.00 10.23 C ATOM 716 C ALA A 45 0.746 0.009 -7.122 1.00 11.12 C ATOM 717 O ALA A 45 0.939 -0.533 -6.034 1.00 34.42 O ATOM 718 CB ALA A 45 -1.620 -0.380 -7.868 1.00 61.23 C ATOM 0 H ALA A 45 0.021 -2.581 -7.378 1.00 54.02 H new ATOM 0 HA ALA A 45 0.094 -0.203 -9.146 1.00 10.23 H new ATOM 0 HB1 ALA A 45 -1.790 0.695 -7.805 1.00 61.23 H new ATOM 0 HB2 ALA A 45 -2.242 -0.800 -8.659 1.00 61.23 H new ATOM 0 HB3 ALA A 45 -1.880 -0.845 -6.917 1.00 61.23 H new ATOM 724 N ASN A 46 1.295 1.177 -7.446 1.00 51.45 N ATOM 725 CA ASN A 46 2.164 1.905 -6.515 1.00 40.23 C ATOM 726 C ASN A 46 1.440 3.120 -5.921 1.00 2.34 C ATOM 727 O ASN A 46 1.153 4.090 -6.624 1.00 63.32 O ATOM 728 CB ASN A 46 3.451 2.352 -7.220 1.00 3.14 C ATOM 729 CG ASN A 46 4.330 1.179 -7.623 1.00 15.31 C ATOM 730 OD1 ASN A 46 5.188 0.741 -6.864 1.00 43.33 O ATOM 731 ND2 ASN A 46 4.140 0.669 -8.825 1.00 71.40 N ATOM 0 H ASN A 46 1.156 1.642 -8.343 1.00 51.45 H new ATOM 0 HA ASN A 46 2.424 1.229 -5.701 1.00 40.23 H new ATOM 0 HB2 ASN A 46 3.194 2.931 -8.107 1.00 3.14 H new ATOM 0 HB3 ASN A 46 4.013 3.013 -6.560 1.00 3.14 H new ATOM 0 HD21 ASN A 46 4.715 -0.111 -9.145 1.00 71.40 H new ATOM 0 HD22 ASN A 46 3.418 1.054 -9.434 1.00 71.40 H new ATOM 738 N VAL A 47 1.139 3.054 -4.630 1.00 34.13 N ATOM 739 CA VAL A 47 0.502 4.170 -3.921 1.00 3.31 C ATOM 740 C VAL A 47 1.460 4.773 -2.885 1.00 64.14 C ATOM 741 O VAL A 47 1.863 4.106 -1.933 1.00 42.32 O ATOM 742 CB VAL A 47 -0.806 3.721 -3.215 1.00 54.32 C ATOM 743 CG1 VAL A 47 -1.448 4.887 -2.458 1.00 51.02 C ATOM 744 CG2 VAL A 47 -1.787 3.123 -4.225 1.00 53.45 C ATOM 0 H VAL A 47 1.324 2.239 -4.046 1.00 34.13 H new ATOM 0 HA VAL A 47 0.253 4.926 -4.666 1.00 3.31 H new ATOM 0 HB VAL A 47 -0.551 2.949 -2.489 1.00 54.32 H new ATOM 0 HG11 VAL A 47 -2.362 4.546 -1.972 1.00 51.02 H new ATOM 0 HG12 VAL A 47 -0.753 5.258 -1.704 1.00 51.02 H new ATOM 0 HG13 VAL A 47 -1.686 5.688 -3.158 1.00 51.02 H new ATOM 0 HG21 VAL A 47 -2.697 2.815 -3.710 1.00 53.45 H new ATOM 0 HG22 VAL A 47 -2.033 3.870 -4.980 1.00 53.45 H new ATOM 0 HG23 VAL A 47 -1.331 2.257 -4.706 1.00 53.45 H new ATOM 754 N ILE A 48 1.826 6.034 -3.076 1.00 54.00 N ATOM 755 CA ILE A 48 2.744 6.713 -2.162 1.00 61.05 C ATOM 756 C ILE A 48 1.976 7.470 -1.071 1.00 3.12 C ATOM 757 O ILE A 48 1.293 8.467 -1.342 1.00 31.34 O ATOM 758 CB ILE A 48 3.674 7.700 -2.914 1.00 45.45 C ATOM 759 CG1 ILE A 48 4.462 6.970 -4.017 1.00 0.41 C ATOM 760 CG2 ILE A 48 4.625 8.392 -1.935 1.00 23.50 C ATOM 761 CD1 ILE A 48 5.387 5.882 -3.502 1.00 14.33 C ATOM 0 H ILE A 48 1.503 6.609 -3.854 1.00 54.00 H new ATOM 0 HA ILE A 48 3.358 5.940 -1.699 1.00 61.05 H new ATOM 0 HB ILE A 48 3.056 8.463 -3.387 1.00 45.45 H new ATOM 0 HG12 ILE A 48 3.757 6.529 -4.721 1.00 0.41 H new ATOM 0 HG13 ILE A 48 5.051 7.700 -4.572 1.00 0.41 H new ATOM 0 HG21 ILE A 48 5.270 9.081 -2.480 1.00 23.50 H new ATOM 0 HG22 ILE A 48 4.046 8.945 -1.195 1.00 23.50 H new ATOM 0 HG23 ILE A 48 5.237 7.643 -1.431 1.00 23.50 H new ATOM 0 HD11 ILE A 48 5.905 5.417 -4.341 1.00 14.33 H new ATOM 0 HD12 ILE A 48 6.118 6.318 -2.821 1.00 14.33 H new ATOM 0 HD13 ILE A 48 4.803 5.128 -2.973 1.00 14.33 H new ATOM 773 N ILE A 49 2.086 6.980 0.158 1.00 22.21 N ATOM 774 CA ILE A 49 1.418 7.592 1.309 1.00 44.40 C ATOM 775 C ILE A 49 2.431 8.330 2.198 1.00 71.25 C ATOM 776 O ILE A 49 3.562 7.878 2.372 1.00 63.24 O ATOM 777 CB ILE A 49 0.664 6.528 2.149 1.00 74.12 C ATOM 778 CG1 ILE A 49 1.628 5.425 2.624 1.00 43.50 C ATOM 779 CG2 ILE A 49 -0.489 5.932 1.345 1.00 34.11 C ATOM 780 CD1 ILE A 49 0.968 4.337 3.450 1.00 75.13 C ATOM 0 H ILE A 49 2.636 6.153 0.388 1.00 22.21 H new ATOM 0 HA ILE A 49 0.694 8.310 0.924 1.00 44.40 H new ATOM 0 HB ILE A 49 0.250 7.016 3.031 1.00 74.12 H new ATOM 0 HG12 ILE A 49 2.099 4.969 1.753 1.00 43.50 H new ATOM 0 HG13 ILE A 49 2.423 5.882 3.214 1.00 43.50 H new ATOM 0 HG21 ILE A 49 -1.007 5.187 1.949 1.00 34.11 H new ATOM 0 HG22 ILE A 49 -1.186 6.723 1.067 1.00 34.11 H new ATOM 0 HG23 ILE A 49 -0.098 5.460 0.444 1.00 34.11 H new ATOM 0 HD11 ILE A 49 1.715 3.600 3.744 1.00 75.13 H new ATOM 0 HD12 ILE A 49 0.522 4.777 4.342 1.00 75.13 H new ATOM 0 HD13 ILE A 49 0.192 3.851 2.858 1.00 75.13 H new ATOM 792 N ALA A 50 2.027 9.461 2.767 1.00 43.54 N ATOM 793 CA ALA A 50 2.942 10.294 3.553 1.00 41.54 C ATOM 794 C ALA A 50 2.492 10.428 5.014 1.00 65.34 C ATOM 795 O ALA A 50 1.358 10.813 5.299 1.00 42.44 O ATOM 796 CB ALA A 50 3.075 11.672 2.909 1.00 33.30 C ATOM 0 H ALA A 50 1.076 9.824 2.701 1.00 43.54 H new ATOM 0 HA ALA A 50 3.914 9.801 3.560 1.00 41.54 H new ATOM 0 HB1 ALA A 50 3.756 12.285 3.499 1.00 33.30 H new ATOM 0 HB2 ALA A 50 3.467 11.565 1.897 1.00 33.30 H new ATOM 0 HB3 ALA A 50 2.097 12.151 2.870 1.00 33.30 H new ATOM 802 N ASP A 51 3.389 10.080 5.928 1.00 74.12 N ATOM 803 CA ASP A 51 3.171 10.262 7.365 1.00 33.43 C ATOM 804 C ASP A 51 4.103 11.357 7.908 1.00 74.13 C ATOM 805 O ASP A 51 5.040 11.782 7.226 1.00 55.33 O ATOM 806 CB ASP A 51 3.421 8.934 8.098 1.00 13.04 C ATOM 807 CG ASP A 51 3.280 9.045 9.606 1.00 72.11 C ATOM 808 OD1 ASP A 51 2.142 9.214 10.091 1.00 14.33 O ATOM 809 OD2 ASP A 51 4.309 8.977 10.316 1.00 31.41 O ATOM 0 H ASP A 51 4.291 9.663 5.698 1.00 74.12 H new ATOM 0 HA ASP A 51 2.140 10.572 7.535 1.00 33.43 H new ATOM 0 HB2 ASP A 51 2.720 8.185 7.729 1.00 13.04 H new ATOM 0 HB3 ASP A 51 4.423 8.578 7.859 1.00 13.04 H new ATOM 814 N ASP A 52 3.845 11.808 9.132 1.00 55.23 N ATOM 815 CA ASP A 52 4.677 12.819 9.788 1.00 50.14 C ATOM 816 C ASP A 52 6.165 12.415 9.819 1.00 4.42 C ATOM 817 O ASP A 52 7.052 13.270 9.748 1.00 2.42 O ATOM 818 CB ASP A 52 4.168 13.049 11.216 1.00 22.55 C ATOM 819 CG ASP A 52 2.730 13.540 11.241 1.00 21.35 C ATOM 820 OD1 ASP A 52 1.810 12.731 10.993 1.00 53.33 O ATOM 821 OD2 ASP A 52 2.505 14.739 11.504 1.00 40.12 O ATOM 0 H ASP A 52 3.059 11.487 9.697 1.00 55.23 H new ATOM 0 HA ASP A 52 4.603 13.740 9.210 1.00 50.14 H new ATOM 0 HB2 ASP A 52 4.243 12.120 11.781 1.00 22.55 H new ATOM 0 HB3 ASP A 52 4.807 13.777 11.715 1.00 22.55 H new ATOM 826 N THR A 53 6.433 11.111 9.907 1.00 0.15 N ATOM 827 CA THR A 53 7.809 10.607 10.061 1.00 61.11 C ATOM 828 C THR A 53 8.455 10.165 8.733 1.00 15.52 C ATOM 829 O THR A 53 9.606 9.722 8.725 1.00 25.13 O ATOM 830 CB THR A 53 7.865 9.406 11.035 1.00 13.34 C ATOM 831 OG1 THR A 53 7.243 8.252 10.443 1.00 41.21 O ATOM 832 CG2 THR A 53 7.180 9.737 12.358 1.00 11.43 C ATOM 0 H THR A 53 5.720 10.382 9.875 1.00 0.15 H new ATOM 0 HA THR A 53 8.371 11.453 10.456 1.00 61.11 H new ATOM 0 HB THR A 53 8.914 9.188 11.234 1.00 13.34 H new ATOM 0 HG1 THR A 53 6.292 8.434 10.292 1.00 41.21 H new ATOM 0 HG21 THR A 53 7.235 8.874 13.022 1.00 11.43 H new ATOM 0 HG22 THR A 53 7.680 10.586 12.824 1.00 11.43 H new ATOM 0 HG23 THR A 53 6.135 9.987 12.174 1.00 11.43 H new ATOM 840 N GLY A 54 7.732 10.282 7.616 1.00 52.44 N ATOM 841 CA GLY A 54 8.274 9.816 6.338 1.00 22.30 C ATOM 842 C GLY A 54 7.208 9.353 5.347 1.00 33.43 C ATOM 843 O GLY A 54 6.036 9.236 5.694 1.00 33.12 O ATOM 0 H GLY A 54 6.796 10.684 7.569 1.00 52.44 H new ATOM 0 HA2 GLY A 54 8.853 10.621 5.885 1.00 22.30 H new ATOM 0 HA3 GLY A 54 8.964 8.993 6.525 1.00 22.30 H new ATOM 847 N GLU A 55 7.615 9.107 4.102 1.00 75.43 N ATOM 848 CA GLU A 55 6.706 8.566 3.075 1.00 5.52 C ATOM 849 C GLU A 55 6.930 7.056 2.888 1.00 51.40 C ATOM 850 O GLU A 55 8.032 6.549 3.098 1.00 52.33 O ATOM 851 CB GLU A 55 6.932 9.266 1.725 1.00 70.04 C ATOM 852 CG GLU A 55 6.515 10.732 1.677 1.00 20.31 C ATOM 853 CD GLU A 55 6.872 11.388 0.349 1.00 35.33 C ATOM 854 OE1 GLU A 55 6.502 10.842 -0.712 1.00 61.11 O ATOM 855 OE2 GLU A 55 7.530 12.449 0.358 1.00 50.32 O ATOM 0 H GLU A 55 8.567 9.272 3.774 1.00 75.43 H new ATOM 0 HA GLU A 55 5.686 8.745 3.415 1.00 5.52 H new ATOM 0 HB2 GLU A 55 7.990 9.197 1.470 1.00 70.04 H new ATOM 0 HB3 GLU A 55 6.383 8.723 0.956 1.00 70.04 H new ATOM 0 HG2 GLU A 55 5.440 10.808 1.841 1.00 20.31 H new ATOM 0 HG3 GLU A 55 7.000 11.273 2.490 1.00 20.31 H new ATOM 862 N LEU A 56 5.880 6.343 2.488 1.00 41.42 N ATOM 863 CA LEU A 56 5.952 4.892 2.290 1.00 30.12 C ATOM 864 C LEU A 56 5.409 4.487 0.911 1.00 75.41 C ATOM 865 O LEU A 56 4.439 5.064 0.413 1.00 13.20 O ATOM 866 CB LEU A 56 5.155 4.170 3.387 1.00 73.15 C ATOM 867 CG LEU A 56 5.214 2.634 3.341 1.00 40.10 C ATOM 868 CD1 LEU A 56 6.630 2.136 3.618 1.00 64.22 C ATOM 869 CD2 LEU A 56 4.223 2.020 4.326 1.00 13.22 C ATOM 0 H LEU A 56 4.964 6.746 2.293 1.00 41.42 H new ATOM 0 HA LEU A 56 7.001 4.601 2.345 1.00 30.12 H new ATOM 0 HB2 LEU A 56 5.522 4.502 4.358 1.00 73.15 H new ATOM 0 HB3 LEU A 56 4.112 4.479 3.318 1.00 73.15 H new ATOM 0 HG LEU A 56 4.933 2.317 2.337 1.00 40.10 H new ATOM 0 HD11 LEU A 56 6.647 1.047 3.580 1.00 64.22 H new ATOM 0 HD12 LEU A 56 7.310 2.536 2.866 1.00 64.22 H new ATOM 0 HD13 LEU A 56 6.946 2.469 4.606 1.00 64.22 H new ATOM 0 HD21 LEU A 56 4.284 0.933 4.274 1.00 13.22 H new ATOM 0 HD22 LEU A 56 4.464 2.349 5.337 1.00 13.22 H new ATOM 0 HD23 LEU A 56 3.212 2.339 4.072 1.00 13.22 H new ATOM 881 N ARG A 57 6.037 3.483 0.309 1.00 74.31 N ATOM 882 CA ARG A 57 5.600 2.949 -0.983 1.00 22.25 C ATOM 883 C ARG A 57 4.667 1.745 -0.783 1.00 12.54 C ATOM 884 O ARG A 57 5.123 0.634 -0.508 1.00 43.20 O ATOM 885 CB ARG A 57 6.826 2.516 -1.797 1.00 11.55 C ATOM 886 CG ARG A 57 6.518 2.060 -3.221 1.00 34.03 C ATOM 887 CD ARG A 57 7.725 1.378 -3.859 1.00 61.03 C ATOM 888 NE ARG A 57 8.947 2.166 -3.702 1.00 51.43 N ATOM 889 CZ ARG A 57 10.159 1.683 -3.800 1.00 32.23 C ATOM 890 NH1 ARG A 57 10.361 0.433 -4.073 1.00 11.51 N ATOM 891 NH2 ARG A 57 11.174 2.459 -3.624 1.00 0.45 N ATOM 0 H ARG A 57 6.857 3.017 0.696 1.00 74.31 H new ATOM 0 HA ARG A 57 5.056 3.728 -1.518 1.00 22.25 H new ATOM 0 HB2 ARG A 57 7.529 3.348 -1.841 1.00 11.55 H new ATOM 0 HB3 ARG A 57 7.326 1.704 -1.270 1.00 11.55 H new ATOM 0 HG2 ARG A 57 5.673 1.372 -3.210 1.00 34.03 H new ATOM 0 HG3 ARG A 57 6.222 2.919 -3.824 1.00 34.03 H new ATOM 0 HD2 ARG A 57 7.867 0.396 -3.408 1.00 61.03 H new ATOM 0 HD3 ARG A 57 7.532 1.217 -4.920 1.00 61.03 H new ATOM 0 HE ARG A 57 8.847 3.161 -3.502 1.00 51.43 H new ATOM 0 HH11 ARG A 57 9.568 -0.192 -4.216 1.00 11.51 H new ATOM 0 HH12 ARG A 57 11.313 0.074 -4.145 1.00 11.51 H new ATOM 0 HH21 ARG A 57 11.030 3.446 -3.409 1.00 0.45 H new ATOM 0 HH22 ARG A 57 12.120 2.086 -3.700 1.00 0.45 H new ATOM 905 N ALA A 58 3.365 1.974 -0.900 1.00 13.20 N ATOM 906 CA ALA A 58 2.372 0.909 -0.725 1.00 1.41 C ATOM 907 C ALA A 58 2.139 0.150 -2.039 1.00 73.02 C ATOM 908 O ALA A 58 1.603 0.705 -3.001 1.00 63.32 O ATOM 909 CB ALA A 58 1.061 1.493 -0.206 1.00 41.34 C ATOM 0 H ALA A 58 2.967 2.888 -1.116 1.00 13.20 H new ATOM 0 HA ALA A 58 2.757 0.200 0.008 1.00 1.41 H new ATOM 0 HB1 ALA A 58 0.331 0.693 -0.080 1.00 41.34 H new ATOM 0 HB2 ALA A 58 1.234 1.981 0.753 1.00 41.34 H new ATOM 0 HB3 ALA A 58 0.680 2.223 -0.920 1.00 41.34 H new ATOM 915 N VAL A 59 2.554 -1.113 -2.080 1.00 23.33 N ATOM 916 CA VAL A 59 2.421 -1.930 -3.290 1.00 42.22 C ATOM 917 C VAL A 59 1.141 -2.782 -3.262 1.00 12.45 C ATOM 918 O VAL A 59 1.043 -3.760 -2.516 1.00 13.13 O ATOM 919 CB VAL A 59 3.645 -2.864 -3.473 1.00 34.12 C ATOM 920 CG1 VAL A 59 3.560 -3.622 -4.800 1.00 73.33 C ATOM 921 CG2 VAL A 59 4.953 -2.074 -3.375 1.00 31.42 C ATOM 0 H VAL A 59 2.985 -1.596 -1.292 1.00 23.33 H new ATOM 0 HA VAL A 59 2.366 -1.237 -4.129 1.00 42.22 H new ATOM 0 HB VAL A 59 3.634 -3.597 -2.667 1.00 34.12 H new ATOM 0 HG11 VAL A 59 4.430 -4.270 -4.905 1.00 73.33 H new ATOM 0 HG12 VAL A 59 2.653 -4.226 -4.816 1.00 73.33 H new ATOM 0 HG13 VAL A 59 3.537 -2.910 -5.625 1.00 73.33 H new ATOM 0 HG21 VAL A 59 5.797 -2.751 -3.507 1.00 31.42 H new ATOM 0 HG22 VAL A 59 4.976 -1.310 -4.152 1.00 31.42 H new ATOM 0 HG23 VAL A 59 5.018 -1.598 -2.396 1.00 31.42 H new ATOM 931 N PHE A 60 0.162 -2.404 -4.080 1.00 54.21 N ATOM 932 CA PHE A 60 -1.088 -3.160 -4.195 1.00 40.11 C ATOM 933 C PHE A 60 -0.998 -4.196 -5.326 1.00 72.10 C ATOM 934 O PHE A 60 -1.067 -3.856 -6.508 1.00 12.42 O ATOM 935 CB PHE A 60 -2.273 -2.214 -4.454 1.00 11.33 C ATOM 936 CG PHE A 60 -2.672 -1.374 -3.262 1.00 70.32 C ATOM 937 CD1 PHE A 60 -1.832 -0.382 -2.775 1.00 12.33 C ATOM 938 CD2 PHE A 60 -3.900 -1.567 -2.639 1.00 35.12 C ATOM 939 CE1 PHE A 60 -2.204 0.394 -1.691 1.00 14.35 C ATOM 940 CE2 PHE A 60 -4.273 -0.795 -1.553 1.00 53.21 C ATOM 941 CZ PHE A 60 -3.426 0.188 -1.082 1.00 61.45 C ATOM 0 H PHE A 60 0.208 -1.577 -4.675 1.00 54.21 H new ATOM 0 HA PHE A 60 -1.249 -3.682 -3.252 1.00 40.11 H new ATOM 0 HB2 PHE A 60 -2.020 -1.552 -5.282 1.00 11.33 H new ATOM 0 HB3 PHE A 60 -3.132 -2.805 -4.771 1.00 11.33 H new ATOM 0 HD1 PHE A 60 -0.876 -0.214 -3.248 1.00 12.33 H new ATOM 0 HD2 PHE A 60 -4.571 -2.329 -3.007 1.00 35.12 H new ATOM 0 HE1 PHE A 60 -1.539 1.160 -1.322 1.00 14.35 H new ATOM 0 HE2 PHE A 60 -5.227 -0.961 -1.074 1.00 53.21 H new ATOM 0 HZ PHE A 60 -3.719 0.795 -0.238 1.00 61.45 H new ATOM 951 N TRP A 61 -0.834 -5.456 -4.950 1.00 22.31 N ATOM 952 CA TRP A 61 -0.769 -6.561 -5.910 1.00 63.12 C ATOM 953 C TRP A 61 -2.164 -6.938 -6.429 1.00 42.33 C ATOM 954 O TRP A 61 -3.175 -6.564 -5.835 1.00 43.23 O ATOM 955 CB TRP A 61 -0.077 -7.774 -5.274 1.00 2.33 C ATOM 956 CG TRP A 61 1.372 -7.520 -4.958 1.00 62.04 C ATOM 957 CD1 TRP A 61 1.908 -7.175 -3.747 1.00 51.11 C ATOM 958 CD2 TRP A 61 2.469 -7.572 -5.880 1.00 23.34 C ATOM 959 NE1 TRP A 61 3.269 -7.016 -3.862 1.00 13.23 N ATOM 960 CE2 TRP A 61 3.636 -7.255 -5.160 1.00 32.23 C ATOM 961 CE3 TRP A 61 2.574 -7.857 -7.244 1.00 53.41 C ATOM 962 CZ2 TRP A 61 4.893 -7.214 -5.759 1.00 61.11 C ATOM 963 CZ3 TRP A 61 3.822 -7.820 -7.837 1.00 0.44 C ATOM 964 CH2 TRP A 61 4.966 -7.499 -7.096 1.00 54.32 C ATOM 0 H TRP A 61 -0.742 -5.746 -3.976 1.00 22.31 H new ATOM 0 HA TRP A 61 -0.181 -6.231 -6.767 1.00 63.12 H new ATOM 0 HB2 TRP A 61 -0.601 -8.047 -4.358 1.00 2.33 H new ATOM 0 HB3 TRP A 61 -0.153 -8.626 -5.950 1.00 2.33 H new ATOM 0 HD1 TRP A 61 1.345 -7.046 -2.835 1.00 51.11 H new ATOM 0 HE1 TRP A 61 3.902 -6.761 -3.104 1.00 13.23 H new ATOM 0 HE3 TRP A 61 1.696 -8.102 -7.824 1.00 53.41 H new ATOM 0 HZ2 TRP A 61 5.777 -6.967 -5.190 1.00 61.11 H new ATOM 0 HZ3 TRP A 61 3.916 -8.042 -8.890 1.00 0.44 H new ATOM 0 HH2 TRP A 61 5.926 -7.476 -7.590 1.00 54.32 H new ATOM 975 N THR A 62 -2.205 -7.645 -7.562 1.00 44.35 N ATOM 976 CA THR A 62 -3.469 -8.082 -8.201 1.00 61.03 C ATOM 977 C THR A 62 -4.547 -8.525 -7.194 1.00 1.25 C ATOM 978 O THR A 62 -5.743 -8.324 -7.422 1.00 14.02 O ATOM 979 CB THR A 62 -3.222 -9.239 -9.204 1.00 24.22 C ATOM 980 OG1 THR A 62 -4.465 -9.725 -9.733 1.00 1.11 O ATOM 981 CG2 THR A 62 -2.458 -10.389 -8.553 1.00 51.42 C ATOM 0 H THR A 62 -1.369 -7.935 -8.069 1.00 44.35 H new ATOM 0 HA THR A 62 -3.841 -7.201 -8.724 1.00 61.03 H new ATOM 0 HB THR A 62 -2.616 -8.840 -10.018 1.00 24.22 H new ATOM 0 HG1 THR A 62 -4.289 -10.453 -10.365 1.00 1.11 H new ATOM 0 HG21 THR A 62 -2.302 -11.182 -9.284 1.00 51.42 H new ATOM 0 HG22 THR A 62 -1.493 -10.029 -8.197 1.00 51.42 H new ATOM 0 HG23 THR A 62 -3.033 -10.778 -7.712 1.00 51.42 H new ATOM 989 N GLU A 63 -4.121 -9.114 -6.080 1.00 42.14 N ATOM 990 CA GLU A 63 -5.044 -9.555 -5.028 1.00 40.25 C ATOM 991 C GLU A 63 -5.798 -8.362 -4.397 1.00 14.51 C ATOM 992 O GLU A 63 -7.013 -8.413 -4.191 1.00 53.13 O ATOM 993 CB GLU A 63 -4.262 -10.306 -3.937 1.00 12.44 C ATOM 994 CG GLU A 63 -3.328 -11.399 -4.459 1.00 21.33 C ATOM 995 CD GLU A 63 -4.046 -12.500 -5.229 1.00 11.21 C ATOM 996 OE1 GLU A 63 -4.723 -13.336 -4.591 1.00 12.25 O ATOM 997 OE2 GLU A 63 -3.930 -12.539 -6.475 1.00 61.53 O ATOM 0 H GLU A 63 -3.139 -9.299 -5.878 1.00 42.14 H new ATOM 0 HA GLU A 63 -5.781 -10.217 -5.482 1.00 40.25 H new ATOM 0 HB2 GLU A 63 -3.674 -9.585 -3.369 1.00 12.44 H new ATOM 0 HB3 GLU A 63 -4.973 -10.755 -3.243 1.00 12.44 H new ATOM 0 HG2 GLU A 63 -2.577 -10.945 -5.106 1.00 21.33 H new ATOM 0 HG3 GLU A 63 -2.797 -11.843 -3.617 1.00 21.33 H new ATOM 1004 N ASN A 64 -5.068 -7.280 -4.118 1.00 22.32 N ATOM 1005 CA ASN A 64 -5.610 -6.127 -3.377 1.00 32.41 C ATOM 1006 C ASN A 64 -6.115 -4.991 -4.284 1.00 20.04 C ATOM 1007 O ASN A 64 -6.537 -3.946 -3.785 1.00 4.31 O ATOM 1008 CB ASN A 64 -4.544 -5.575 -2.429 1.00 32.40 C ATOM 1009 CG ASN A 64 -4.060 -6.618 -1.446 1.00 5.40 C ATOM 1010 OD1 ASN A 64 -3.121 -7.354 -1.719 1.00 35.01 O ATOM 1011 ND2 ASN A 64 -4.699 -6.691 -0.296 1.00 44.41 N ATOM 0 H ASN A 64 -4.092 -7.173 -4.394 1.00 22.32 H new ATOM 0 HA ASN A 64 -6.473 -6.498 -2.824 1.00 32.41 H new ATOM 0 HB2 ASN A 64 -3.699 -5.206 -3.010 1.00 32.40 H new ATOM 0 HB3 ASN A 64 -4.951 -4.724 -1.883 1.00 32.40 H new ATOM 0 HD21 ASN A 64 -4.415 -7.378 0.402 1.00 44.41 H new ATOM 0 HD22 ASN A 64 -5.477 -6.060 -0.104 1.00 44.41 H new ATOM 1018 N ILE A 65 -6.081 -5.180 -5.604 1.00 20.14 N ATOM 1019 CA ILE A 65 -6.584 -4.157 -6.541 1.00 64.13 C ATOM 1020 C ILE A 65 -8.037 -3.752 -6.212 1.00 51.35 C ATOM 1021 O ILE A 65 -8.436 -2.602 -6.402 1.00 20.30 O ATOM 1022 CB ILE A 65 -6.501 -4.643 -8.014 1.00 61.52 C ATOM 1023 CG1 ILE A 65 -5.042 -4.937 -8.403 1.00 14.21 C ATOM 1024 CG2 ILE A 65 -7.111 -3.619 -8.975 1.00 53.45 C ATOM 1025 CD1 ILE A 65 -4.118 -3.737 -8.310 1.00 61.32 C ATOM 0 H ILE A 65 -5.716 -6.021 -6.051 1.00 20.14 H new ATOM 0 HA ILE A 65 -5.942 -3.284 -6.423 1.00 64.13 H new ATOM 0 HB ILE A 65 -7.079 -5.564 -8.093 1.00 61.52 H new ATOM 0 HG12 ILE A 65 -4.658 -5.727 -7.758 1.00 14.21 H new ATOM 0 HG13 ILE A 65 -5.020 -5.320 -9.423 1.00 14.21 H new ATOM 0 HG21 ILE A 65 -7.037 -3.990 -9.997 1.00 53.45 H new ATOM 0 HG22 ILE A 65 -8.159 -3.462 -8.721 1.00 53.45 H new ATOM 0 HG23 ILE A 65 -6.572 -2.675 -8.891 1.00 53.45 H new ATOM 0 HD11 ILE A 65 -3.110 -4.031 -8.601 1.00 61.32 H new ATOM 0 HD12 ILE A 65 -4.474 -2.951 -8.977 1.00 61.32 H new ATOM 0 HD13 ILE A 65 -4.106 -3.365 -7.285 1.00 61.32 H new ATOM 1037 N LYS A 66 -8.804 -4.706 -5.689 1.00 0.32 N ATOM 1038 CA LYS A 66 -10.200 -4.479 -5.285 1.00 23.33 C ATOM 1039 C LYS A 66 -10.343 -3.387 -4.200 1.00 1.14 C ATOM 1040 O LYS A 66 -11.442 -2.887 -3.957 1.00 62.51 O ATOM 1041 CB LYS A 66 -10.794 -5.798 -4.771 1.00 33.43 C ATOM 1042 CG LYS A 66 -10.033 -6.391 -3.585 1.00 51.31 C ATOM 1043 CD LYS A 66 -10.579 -7.761 -3.189 1.00 13.03 C ATOM 1044 CE LYS A 66 -9.805 -8.375 -2.025 1.00 42.03 C ATOM 1045 NZ LYS A 66 -10.276 -9.752 -1.710 1.00 53.41 N ATOM 0 H LYS A 66 -8.480 -5.660 -5.531 1.00 0.32 H new ATOM 0 HA LYS A 66 -10.741 -4.125 -6.163 1.00 23.33 H new ATOM 0 HB2 LYS A 66 -11.831 -5.631 -4.480 1.00 33.43 H new ATOM 0 HB3 LYS A 66 -10.805 -6.523 -5.584 1.00 33.43 H new ATOM 0 HG2 LYS A 66 -8.977 -6.480 -3.839 1.00 51.31 H new ATOM 0 HG3 LYS A 66 -10.100 -5.713 -2.734 1.00 51.31 H new ATOM 0 HD2 LYS A 66 -11.630 -7.666 -2.915 1.00 13.03 H new ATOM 0 HD3 LYS A 66 -10.533 -8.431 -4.048 1.00 13.03 H new ATOM 0 HE2 LYS A 66 -8.743 -8.401 -2.269 1.00 42.03 H new ATOM 0 HE3 LYS A 66 -9.914 -7.743 -1.143 1.00 42.03 H new ATOM 0 HZ1 LYS A 66 -9.726 -10.134 -0.914 1.00 53.41 H new ATOM 0 HZ2 LYS A 66 -11.283 -9.724 -1.452 1.00 53.41 H new ATOM 0 HZ3 LYS A 66 -10.149 -10.362 -2.543 1.00 53.41 H new ATOM 1059 N LEU A 67 -9.244 -3.036 -3.536 1.00 74.31 N ATOM 1060 CA LEU A 67 -9.268 -2.026 -2.467 1.00 63.43 C ATOM 1061 C LEU A 67 -9.095 -0.596 -3.010 1.00 10.35 C ATOM 1062 O LEU A 67 -9.501 0.373 -2.365 1.00 63.20 O ATOM 1063 CB LEU A 67 -8.165 -2.320 -1.442 1.00 75.23 C ATOM 1064 CG LEU A 67 -8.292 -3.663 -0.701 1.00 1.40 C ATOM 1065 CD1 LEU A 67 -7.095 -3.878 0.222 1.00 72.31 C ATOM 1066 CD2 LEU A 67 -9.604 -3.724 0.084 1.00 13.42 C ATOM 0 H LEU A 67 -8.322 -3.434 -3.716 1.00 74.31 H new ATOM 0 HA LEU A 67 -10.247 -2.084 -1.992 1.00 63.43 H new ATOM 0 HB2 LEU A 67 -7.202 -2.296 -1.953 1.00 75.23 H new ATOM 0 HB3 LEU A 67 -8.155 -1.517 -0.705 1.00 75.23 H new ATOM 0 HG LEU A 67 -8.303 -4.465 -1.439 1.00 1.40 H new ATOM 0 HD11 LEU A 67 -7.200 -4.832 0.738 1.00 72.31 H new ATOM 0 HD12 LEU A 67 -6.178 -3.884 -0.367 1.00 72.31 H new ATOM 0 HD13 LEU A 67 -7.051 -3.072 0.954 1.00 72.31 H new ATOM 0 HD21 LEU A 67 -9.675 -4.681 0.601 1.00 13.42 H new ATOM 0 HD22 LEU A 67 -9.629 -2.915 0.814 1.00 13.42 H new ATOM 0 HD23 LEU A 67 -10.444 -3.619 -0.603 1.00 13.42 H new ATOM 1078 N LEU A 68 -8.503 -0.469 -4.198 1.00 10.20 N ATOM 1079 CA LEU A 68 -8.213 0.848 -4.789 1.00 12.22 C ATOM 1080 C LEU A 68 -9.487 1.690 -4.975 1.00 15.22 C ATOM 1081 O LEU A 68 -9.451 2.918 -4.896 1.00 25.14 O ATOM 1082 CB LEU A 68 -7.500 0.676 -6.139 1.00 73.24 C ATOM 1083 CG LEU A 68 -6.122 -0.006 -6.080 1.00 71.30 C ATOM 1084 CD1 LEU A 68 -5.554 -0.201 -7.486 1.00 43.31 C ATOM 1085 CD2 LEU A 68 -5.154 0.798 -5.213 1.00 33.31 C ATOM 0 H LEU A 68 -8.213 -1.259 -4.774 1.00 10.20 H new ATOM 0 HA LEU A 68 -7.562 1.380 -4.095 1.00 12.22 H new ATOM 0 HB2 LEU A 68 -8.145 0.096 -6.799 1.00 73.24 H new ATOM 0 HB3 LEU A 68 -7.380 1.659 -6.594 1.00 73.24 H new ATOM 0 HG LEU A 68 -6.250 -0.988 -5.624 1.00 71.30 H new ATOM 0 HD11 LEU A 68 -4.579 -0.685 -7.421 1.00 43.31 H new ATOM 0 HD12 LEU A 68 -6.231 -0.826 -8.068 1.00 43.31 H new ATOM 0 HD13 LEU A 68 -5.446 0.768 -7.972 1.00 43.31 H new ATOM 0 HD21 LEU A 68 -4.187 0.296 -5.186 1.00 33.31 H new ATOM 0 HD22 LEU A 68 -5.033 1.797 -5.633 1.00 33.31 H new ATOM 0 HD23 LEU A 68 -5.551 0.875 -4.201 1.00 33.31 H new ATOM 1097 N LYS A 69 -10.614 1.021 -5.211 1.00 30.13 N ATOM 1098 CA LYS A 69 -11.897 1.700 -5.439 1.00 65.34 C ATOM 1099 C LYS A 69 -12.486 2.324 -4.157 1.00 71.42 C ATOM 1100 O LYS A 69 -13.504 3.018 -4.215 1.00 23.21 O ATOM 1101 CB LYS A 69 -12.901 0.718 -6.061 1.00 12.05 C ATOM 1102 CG LYS A 69 -13.156 -0.531 -5.216 1.00 13.05 C ATOM 1103 CD LYS A 69 -14.068 -1.520 -5.934 1.00 13.40 C ATOM 1104 CE LYS A 69 -13.461 -1.998 -7.251 1.00 31.30 C ATOM 1105 NZ LYS A 69 -14.381 -2.895 -7.996 1.00 43.30 N ATOM 0 H LYS A 69 -10.669 0.003 -5.250 1.00 30.13 H new ATOM 0 HA LYS A 69 -11.705 2.524 -6.126 1.00 65.34 H new ATOM 0 HB2 LYS A 69 -13.847 1.235 -6.221 1.00 12.05 H new ATOM 0 HB3 LYS A 69 -12.535 0.412 -7.041 1.00 12.05 H new ATOM 0 HG2 LYS A 69 -12.207 -1.014 -4.984 1.00 13.05 H new ATOM 0 HG3 LYS A 69 -13.607 -0.242 -4.267 1.00 13.05 H new ATOM 0 HD2 LYS A 69 -14.255 -2.377 -5.288 1.00 13.40 H new ATOM 0 HD3 LYS A 69 -15.033 -1.051 -6.128 1.00 13.40 H new ATOM 0 HE2 LYS A 69 -13.215 -1.136 -7.871 1.00 31.30 H new ATOM 0 HE3 LYS A 69 -12.527 -2.523 -7.050 1.00 31.30 H new ATOM 0 HZ1 LYS A 69 -13.930 -3.196 -8.883 1.00 43.30 H new ATOM 0 HZ2 LYS A 69 -14.596 -3.731 -7.416 1.00 43.30 H new ATOM 0 HZ3 LYS A 69 -15.263 -2.387 -8.211 1.00 43.30 H new ATOM 1119 N LYS A 70 -11.864 2.076 -3.006 1.00 62.05 N ATOM 1120 CA LYS A 70 -12.352 2.637 -1.737 1.00 11.44 C ATOM 1121 C LYS A 70 -11.925 4.101 -1.531 1.00 61.01 C ATOM 1122 O LYS A 70 -12.745 4.952 -1.179 1.00 33.14 O ATOM 1123 CB LYS A 70 -11.859 1.803 -0.550 1.00 55.52 C ATOM 1124 CG LYS A 70 -12.404 0.379 -0.512 1.00 22.10 C ATOM 1125 CD LYS A 70 -12.070 -0.318 0.807 1.00 63.42 C ATOM 1126 CE LYS A 70 -12.647 0.441 2.002 1.00 40.32 C ATOM 1127 NZ LYS A 70 -12.430 -0.266 3.294 1.00 51.25 N ATOM 0 H LYS A 70 -11.029 1.497 -2.920 1.00 62.05 H new ATOM 0 HA LYS A 70 -13.440 2.607 -1.791 1.00 11.44 H new ATOM 0 HB2 LYS A 70 -10.770 1.762 -0.578 1.00 55.52 H new ATOM 0 HB3 LYS A 70 -12.135 2.310 0.375 1.00 55.52 H new ATOM 0 HG2 LYS A 70 -13.485 0.399 -0.650 1.00 22.10 H new ATOM 0 HG3 LYS A 70 -11.988 -0.193 -1.342 1.00 22.10 H new ATOM 0 HD2 LYS A 70 -12.466 -1.334 0.794 1.00 63.42 H new ATOM 0 HD3 LYS A 70 -10.988 -0.399 0.914 1.00 63.42 H new ATOM 0 HE2 LYS A 70 -12.191 1.430 2.053 1.00 40.32 H new ATOM 0 HE3 LYS A 70 -13.716 0.590 1.850 1.00 40.32 H new ATOM 0 HZ1 LYS A 70 -12.733 0.345 4.079 1.00 51.25 H new ATOM 0 HZ2 LYS A 70 -12.984 -1.146 3.306 1.00 51.25 H new ATOM 0 HZ3 LYS A 70 -11.420 -0.491 3.401 1.00 51.25 H new ATOM 1141 N PHE A 71 -10.645 4.394 -1.748 1.00 23.14 N ATOM 1142 CA PHE A 71 -10.090 5.716 -1.414 1.00 72.12 C ATOM 1143 C PHE A 71 -9.738 6.554 -2.655 1.00 34.53 C ATOM 1144 O PHE A 71 -9.679 6.048 -3.779 1.00 13.30 O ATOM 1145 CB PHE A 71 -8.850 5.553 -0.520 1.00 4.30 C ATOM 1146 CG PHE A 71 -7.781 4.648 -1.093 1.00 15.01 C ATOM 1147 CD1 PHE A 71 -7.841 3.273 -0.901 1.00 41.22 C ATOM 1148 CD2 PHE A 71 -6.713 5.171 -1.812 1.00 63.11 C ATOM 1149 CE1 PHE A 71 -6.862 2.443 -1.413 1.00 14.33 C ATOM 1150 CE2 PHE A 71 -5.734 4.342 -2.328 1.00 63.14 C ATOM 1151 CZ PHE A 71 -5.809 2.977 -2.128 1.00 21.22 C ATOM 0 H PHE A 71 -9.971 3.743 -2.151 1.00 23.14 H new ATOM 0 HA PHE A 71 -10.869 6.259 -0.879 1.00 72.12 H new ATOM 0 HB2 PHE A 71 -8.417 6.536 -0.338 1.00 4.30 H new ATOM 0 HB3 PHE A 71 -9.163 5.158 0.447 1.00 4.30 H new ATOM 0 HD1 PHE A 71 -8.663 2.848 -0.345 1.00 41.22 H new ATOM 0 HD2 PHE A 71 -6.647 6.237 -1.970 1.00 63.11 H new ATOM 0 HE1 PHE A 71 -6.921 1.376 -1.254 1.00 14.33 H new ATOM 0 HE2 PHE A 71 -4.911 4.761 -2.887 1.00 63.14 H new ATOM 0 HZ PHE A 71 -5.045 2.329 -2.531 1.00 21.22 H new ATOM 1161 N ARG A 72 -9.512 7.849 -2.428 1.00 55.42 N ATOM 1162 CA ARG A 72 -9.100 8.783 -3.484 1.00 53.21 C ATOM 1163 C ARG A 72 -7.640 9.218 -3.284 1.00 13.45 C ATOM 1164 O ARG A 72 -7.065 9.023 -2.209 1.00 11.01 O ATOM 1165 CB ARG A 72 -9.993 10.030 -3.461 1.00 51.10 C ATOM 1166 CG ARG A 72 -11.487 9.743 -3.580 1.00 72.01 C ATOM 1167 CD ARG A 72 -12.310 10.965 -3.188 1.00 31.01 C ATOM 1168 NE ARG A 72 -11.980 11.418 -1.836 1.00 32.01 N ATOM 1169 CZ ARG A 72 -12.182 12.625 -1.386 1.00 52.05 C ATOM 1170 NH1 ARG A 72 -12.748 13.530 -2.120 1.00 41.12 N ATOM 1171 NH2 ARG A 72 -11.812 12.924 -0.187 1.00 41.32 N ATOM 0 H ARG A 72 -9.608 8.282 -1.510 1.00 55.42 H new ATOM 0 HA ARG A 72 -9.197 8.273 -4.442 1.00 53.21 H new ATOM 0 HB2 ARG A 72 -9.813 10.573 -2.533 1.00 51.10 H new ATOM 0 HB3 ARG A 72 -9.697 10.688 -4.278 1.00 51.10 H new ATOM 0 HG2 ARG A 72 -11.725 9.453 -4.603 1.00 72.01 H new ATOM 0 HG3 ARG A 72 -11.752 8.901 -2.940 1.00 72.01 H new ATOM 0 HD2 ARG A 72 -12.128 11.771 -3.898 1.00 31.01 H new ATOM 0 HD3 ARG A 72 -13.372 10.724 -3.244 1.00 31.01 H new ATOM 0 HE ARG A 72 -11.561 10.740 -1.199 1.00 32.01 H new ATOM 0 HH11 ARG A 72 -13.045 13.304 -3.069 1.00 41.12 H new ATOM 0 HH12 ARG A 72 -12.897 14.468 -1.749 1.00 41.12 H new ATOM 0 HH21 ARG A 72 -11.366 12.219 0.400 1.00 41.32 H new ATOM 0 HH22 ARG A 72 -11.966 13.865 0.174 1.00 41.32 H new ATOM 1185 N GLU A 73 -7.052 9.828 -4.309 1.00 10.52 N ATOM 1186 CA GLU A 73 -5.692 10.363 -4.203 1.00 41.14 C ATOM 1187 C GLU A 73 -5.690 11.643 -3.348 1.00 21.13 C ATOM 1188 O GLU A 73 -5.642 12.764 -3.867 1.00 13.42 O ATOM 1189 CB GLU A 73 -5.115 10.634 -5.603 1.00 0.42 C ATOM 1190 CG GLU A 73 -3.650 11.065 -5.605 1.00 32.22 C ATOM 1191 CD GLU A 73 -3.119 11.345 -7.005 1.00 1.24 C ATOM 1192 OE1 GLU A 73 -3.383 12.444 -7.540 1.00 63.14 O ATOM 1193 OE2 GLU A 73 -2.459 10.463 -7.592 1.00 42.53 O ATOM 0 H GLU A 73 -7.491 9.965 -5.220 1.00 10.52 H new ATOM 0 HA GLU A 73 -5.058 9.625 -3.712 1.00 41.14 H new ATOM 0 HB2 GLU A 73 -5.217 9.732 -6.206 1.00 0.42 H new ATOM 0 HB3 GLU A 73 -5.711 11.409 -6.085 1.00 0.42 H new ATOM 0 HG2 GLU A 73 -3.539 11.960 -4.993 1.00 32.22 H new ATOM 0 HG3 GLU A 73 -3.046 10.285 -5.141 1.00 32.22 H new ATOM 1200 N GLY A 74 -5.775 11.462 -2.032 1.00 21.20 N ATOM 1201 CA GLY A 74 -5.879 12.593 -1.118 1.00 75.04 C ATOM 1202 C GLY A 74 -6.375 12.201 0.274 1.00 11.24 C ATOM 1203 O GLY A 74 -6.129 12.916 1.249 1.00 43.35 O ATOM 0 H GLY A 74 -5.774 10.548 -1.578 1.00 21.20 H new ATOM 0 HA2 GLY A 74 -4.903 13.069 -1.028 1.00 75.04 H new ATOM 0 HA3 GLY A 74 -6.557 13.333 -1.543 1.00 75.04 H new ATOM 1207 N ASP A 75 -7.087 11.076 0.375 1.00 10.14 N ATOM 1208 CA ASP A 75 -7.567 10.581 1.676 1.00 70.43 C ATOM 1209 C ASP A 75 -6.427 9.949 2.492 1.00 4.15 C ATOM 1210 O ASP A 75 -5.411 9.528 1.941 1.00 42.15 O ATOM 1211 CB ASP A 75 -8.681 9.541 1.489 1.00 3.25 C ATOM 1212 CG ASP A 75 -9.924 10.111 0.829 1.00 25.10 C ATOM 1213 OD1 ASP A 75 -10.524 11.050 1.391 1.00 50.42 O ATOM 1214 OD2 ASP A 75 -10.323 9.605 -0.239 1.00 60.14 O ATOM 0 H ASP A 75 -7.345 10.491 -0.420 1.00 10.14 H new ATOM 0 HA ASP A 75 -7.958 11.441 2.219 1.00 70.43 H new ATOM 0 HB2 ASP A 75 -8.302 8.716 0.885 1.00 3.25 H new ATOM 0 HB3 ASP A 75 -8.950 9.127 2.461 1.00 3.25 H new ATOM 1219 N VAL A 76 -6.600 9.885 3.806 1.00 3.43 N ATOM 1220 CA VAL A 76 -5.646 9.187 4.673 1.00 1.44 C ATOM 1221 C VAL A 76 -6.071 7.721 4.855 1.00 11.54 C ATOM 1222 O VAL A 76 -7.178 7.446 5.315 1.00 63.34 O ATOM 1223 CB VAL A 76 -5.538 9.867 6.062 1.00 63.35 C ATOM 1224 CG1 VAL A 76 -4.467 9.195 6.923 1.00 70.11 C ATOM 1225 CG2 VAL A 76 -5.264 11.364 5.912 1.00 22.44 C ATOM 0 H VAL A 76 -7.388 10.305 4.298 1.00 3.43 H new ATOM 0 HA VAL A 76 -4.669 9.231 4.191 1.00 1.44 H new ATOM 0 HB VAL A 76 -6.494 9.748 6.571 1.00 63.35 H new ATOM 0 HG11 VAL A 76 -4.413 9.693 7.891 1.00 70.11 H new ATOM 0 HG12 VAL A 76 -4.723 8.145 7.068 1.00 70.11 H new ATOM 0 HG13 VAL A 76 -3.501 9.267 6.424 1.00 70.11 H new ATOM 0 HG21 VAL A 76 -5.192 11.821 6.899 1.00 22.44 H new ATOM 0 HG22 VAL A 76 -4.327 11.510 5.375 1.00 22.44 H new ATOM 0 HG23 VAL A 76 -6.078 11.829 5.355 1.00 22.44 H new ATOM 1235 N ILE A 77 -5.205 6.777 4.493 1.00 11.21 N ATOM 1236 CA ILE A 77 -5.557 5.351 4.580 1.00 33.41 C ATOM 1237 C ILE A 77 -4.712 4.602 5.613 1.00 35.42 C ATOM 1238 O ILE A 77 -3.585 4.990 5.934 1.00 75.34 O ATOM 1239 CB ILE A 77 -5.424 4.625 3.214 1.00 61.13 C ATOM 1240 CG1 ILE A 77 -3.972 4.677 2.706 1.00 32.04 C ATOM 1241 CG2 ILE A 77 -6.387 5.223 2.191 1.00 22.35 C ATOM 1242 CD1 ILE A 77 -3.742 3.900 1.422 1.00 62.32 C ATOM 0 H ILE A 77 -4.266 6.964 4.141 1.00 11.21 H new ATOM 0 HA ILE A 77 -6.601 5.337 4.894 1.00 33.41 H new ATOM 0 HB ILE A 77 -5.690 3.577 3.355 1.00 61.13 H new ATOM 0 HG12 ILE A 77 -3.691 5.718 2.545 1.00 32.04 H new ATOM 0 HG13 ILE A 77 -3.312 4.285 3.480 1.00 32.04 H new ATOM 0 HG21 ILE A 77 -6.278 4.701 1.240 1.00 22.35 H new ATOM 0 HG22 ILE A 77 -7.411 5.116 2.549 1.00 22.35 H new ATOM 0 HG23 ILE A 77 -6.160 6.280 2.052 1.00 22.35 H new ATOM 0 HD11 ILE A 77 -2.696 3.985 1.128 1.00 62.32 H new ATOM 0 HD12 ILE A 77 -3.990 2.851 1.582 1.00 62.32 H new ATOM 0 HD13 ILE A 77 -4.375 4.306 0.633 1.00 62.32 H new ATOM 1254 N ARG A 78 -5.280 3.520 6.126 1.00 5.20 N ATOM 1255 CA ARG A 78 -4.591 2.630 7.058 1.00 10.55 C ATOM 1256 C ARG A 78 -4.626 1.193 6.515 1.00 41.13 C ATOM 1257 O ARG A 78 -5.687 0.567 6.461 1.00 21.15 O ATOM 1258 CB ARG A 78 -5.280 2.707 8.427 1.00 4.10 C ATOM 1259 CG ARG A 78 -4.537 2.016 9.566 1.00 2.30 C ATOM 1260 CD ARG A 78 -5.359 2.055 10.852 1.00 53.22 C ATOM 1261 NE ARG A 78 -4.564 1.757 12.038 1.00 52.51 N ATOM 1262 CZ ARG A 78 -5.076 1.404 13.186 1.00 52.51 C ATOM 1263 NH1 ARG A 78 -6.348 1.174 13.307 1.00 0.41 N ATOM 1264 NH2 ARG A 78 -4.310 1.261 14.215 1.00 2.54 N ATOM 0 H ARG A 78 -6.234 3.231 5.909 1.00 5.20 H new ATOM 0 HA ARG A 78 -3.550 2.935 7.167 1.00 10.55 H new ATOM 0 HB2 ARG A 78 -5.418 3.756 8.688 1.00 4.10 H new ATOM 0 HB3 ARG A 78 -6.273 2.266 8.342 1.00 4.10 H new ATOM 0 HG2 ARG A 78 -4.327 0.981 9.294 1.00 2.30 H new ATOM 0 HG3 ARG A 78 -3.576 2.504 9.728 1.00 2.30 H new ATOM 0 HD2 ARG A 78 -5.810 3.041 10.960 1.00 53.22 H new ATOM 0 HD3 ARG A 78 -6.176 1.338 10.778 1.00 53.22 H new ATOM 0 HE ARG A 78 -3.549 1.829 11.966 1.00 52.51 H new ATOM 0 HH11 ARG A 78 -6.962 1.268 12.498 1.00 0.41 H new ATOM 0 HH12 ARG A 78 -6.733 0.899 14.211 1.00 0.41 H new ATOM 0 HH21 ARG A 78 -3.307 1.424 14.130 1.00 2.54 H new ATOM 0 HH22 ARG A 78 -4.708 0.985 15.113 1.00 2.54 H new ATOM 1278 N ILE A 79 -3.474 0.678 6.107 1.00 64.21 N ATOM 1279 CA ILE A 79 -3.400 -0.657 5.508 1.00 14.51 C ATOM 1280 C ILE A 79 -3.112 -1.720 6.576 1.00 74.14 C ATOM 1281 O ILE A 79 -2.121 -1.634 7.303 1.00 73.12 O ATOM 1282 CB ILE A 79 -2.317 -0.720 4.404 1.00 63.50 C ATOM 1283 CG1 ILE A 79 -2.493 0.446 3.410 1.00 62.33 C ATOM 1284 CG2 ILE A 79 -2.383 -2.063 3.680 1.00 51.22 C ATOM 1285 CD1 ILE A 79 -1.459 0.471 2.302 1.00 1.23 C ATOM 0 H ILE A 79 -2.577 1.159 6.178 1.00 64.21 H new ATOM 0 HA ILE A 79 -4.369 -0.863 5.054 1.00 14.51 H new ATOM 0 HB ILE A 79 -1.335 -0.625 4.868 1.00 63.50 H new ATOM 0 HG12 ILE A 79 -3.486 0.384 2.965 1.00 62.33 H new ATOM 0 HG13 ILE A 79 -2.447 1.387 3.958 1.00 62.33 H new ATOM 0 HG21 ILE A 79 -1.617 -2.097 2.905 1.00 51.22 H new ATOM 0 HG22 ILE A 79 -2.214 -2.870 4.393 1.00 51.22 H new ATOM 0 HG23 ILE A 79 -3.366 -2.183 3.224 1.00 51.22 H new ATOM 0 HD11 ILE A 79 -1.650 1.319 1.645 1.00 1.23 H new ATOM 0 HD12 ILE A 79 -0.463 0.565 2.736 1.00 1.23 H new ATOM 0 HD13 ILE A 79 -1.519 -0.453 1.728 1.00 1.23 H new ATOM 1297 N LYS A 80 -3.981 -2.720 6.664 1.00 15.52 N ATOM 1298 CA LYS A 80 -3.912 -3.715 7.738 1.00 70.21 C ATOM 1299 C LYS A 80 -3.096 -4.959 7.336 1.00 50.23 C ATOM 1300 O LYS A 80 -3.367 -5.590 6.312 1.00 54.04 O ATOM 1301 CB LYS A 80 -5.333 -4.121 8.146 1.00 71.01 C ATOM 1302 CG LYS A 80 -5.393 -4.989 9.394 1.00 61.44 C ATOM 1303 CD LYS A 80 -6.834 -5.273 9.808 1.00 62.43 C ATOM 1304 CE LYS A 80 -6.899 -6.098 11.085 1.00 21.21 C ATOM 1305 NZ LYS A 80 -8.298 -6.333 11.527 1.00 4.04 N ATOM 0 H LYS A 80 -4.745 -2.867 6.005 1.00 15.52 H new ATOM 0 HA LYS A 80 -3.396 -3.259 8.583 1.00 70.21 H new ATOM 0 HB2 LYS A 80 -5.924 -3.220 8.313 1.00 71.01 H new ATOM 0 HB3 LYS A 80 -5.798 -4.658 7.319 1.00 71.01 H new ATOM 0 HG2 LYS A 80 -4.874 -5.930 9.210 1.00 61.44 H new ATOM 0 HG3 LYS A 80 -4.870 -4.491 10.210 1.00 61.44 H new ATOM 0 HD2 LYS A 80 -7.363 -4.331 9.955 1.00 62.43 H new ATOM 0 HD3 LYS A 80 -7.346 -5.804 9.005 1.00 62.43 H new ATOM 0 HE2 LYS A 80 -6.405 -7.056 10.923 1.00 21.21 H new ATOM 0 HE3 LYS A 80 -6.351 -5.586 11.876 1.00 21.21 H new ATOM 0 HZ1 LYS A 80 -8.296 -6.899 12.400 1.00 4.04 H new ATOM 0 HZ2 LYS A 80 -8.763 -5.420 11.707 1.00 4.04 H new ATOM 0 HZ3 LYS A 80 -8.815 -6.845 10.784 1.00 4.04 H new ATOM 1319 N ASP A 81 -2.103 -5.291 8.167 1.00 61.23 N ATOM 1320 CA ASP A 81 -1.257 -6.482 7.985 1.00 13.14 C ATOM 1321 C ASP A 81 -0.485 -6.472 6.651 1.00 15.20 C ATOM 1322 O ASP A 81 -0.949 -7.008 5.644 1.00 42.33 O ATOM 1323 CB ASP A 81 -2.097 -7.765 8.100 1.00 52.10 C ATOM 1324 CG ASP A 81 -2.807 -7.884 9.439 1.00 10.21 C ATOM 1325 OD1 ASP A 81 -2.133 -7.789 10.485 1.00 45.43 O ATOM 1326 OD2 ASP A 81 -4.039 -8.102 9.454 1.00 42.11 O ATOM 0 H ASP A 81 -1.860 -4.740 8.990 1.00 61.23 H new ATOM 0 HA ASP A 81 -0.515 -6.460 8.783 1.00 13.14 H new ATOM 0 HB2 ASP A 81 -2.836 -7.784 7.299 1.00 52.10 H new ATOM 0 HB3 ASP A 81 -1.451 -8.631 7.958 1.00 52.10 H new ATOM 1331 N VAL A 82 0.696 -5.852 6.644 1.00 22.11 N ATOM 1332 CA VAL A 82 1.575 -5.864 5.463 1.00 64.02 C ATOM 1333 C VAL A 82 3.019 -6.229 5.836 1.00 64.12 C ATOM 1334 O VAL A 82 3.427 -6.121 6.996 1.00 44.40 O ATOM 1335 CB VAL A 82 1.578 -4.501 4.721 1.00 11.13 C ATOM 1336 CG1 VAL A 82 0.204 -4.200 4.134 1.00 25.11 C ATOM 1337 CG2 VAL A 82 2.030 -3.373 5.647 1.00 23.32 C ATOM 0 H VAL A 82 1.070 -5.335 7.440 1.00 22.11 H new ATOM 0 HA VAL A 82 1.169 -6.626 4.797 1.00 64.02 H new ATOM 0 HB VAL A 82 2.292 -4.569 3.900 1.00 11.13 H new ATOM 0 HG11 VAL A 82 0.231 -3.240 3.619 1.00 25.11 H new ATOM 0 HG12 VAL A 82 -0.069 -4.983 3.427 1.00 25.11 H new ATOM 0 HG13 VAL A 82 -0.534 -4.161 4.936 1.00 25.11 H new ATOM 0 HG21 VAL A 82 2.023 -2.429 5.101 1.00 23.32 H new ATOM 0 HG22 VAL A 82 1.351 -3.306 6.497 1.00 23.32 H new ATOM 0 HG23 VAL A 82 3.039 -3.578 6.004 1.00 23.32 H new ATOM 1347 N ASN A 83 3.789 -6.672 4.841 1.00 22.33 N ATOM 1348 CA ASN A 83 5.201 -7.009 5.042 1.00 63.15 C ATOM 1349 C ASN A 83 6.104 -5.898 4.498 1.00 50.22 C ATOM 1350 O ASN A 83 6.065 -5.574 3.308 1.00 74.44 O ATOM 1351 CB ASN A 83 5.541 -8.342 4.362 1.00 13.34 C ATOM 1352 CG ASN A 83 4.882 -9.540 5.032 1.00 22.44 C ATOM 1353 OD1 ASN A 83 4.731 -9.496 6.344 1.00 44.50 O flip ATOM 1354 ND2 ASN A 83 4.519 -10.510 4.375 1.00 11.11 N flip ATOM 0 H ASN A 83 3.459 -6.806 3.885 1.00 22.33 H new ATOM 0 HA ASN A 83 5.375 -7.108 6.113 1.00 63.15 H new ATOM 0 HB2 ASN A 83 5.230 -8.300 3.318 1.00 13.34 H new ATOM 0 HB3 ASN A 83 6.622 -8.480 4.367 1.00 13.34 H new ATOM 0 HD21 ASN A 83 4.648 -10.518 3.363 1.00 11.11 H new ATOM 0 HD22 ASN A 83 4.088 -11.309 4.840 1.00 11.11 H new ATOM 1361 N ILE A 84 6.915 -5.320 5.374 1.00 41.00 N ATOM 1362 CA ILE A 84 7.822 -4.240 4.990 1.00 61.52 C ATOM 1363 C ILE A 84 9.085 -4.796 4.317 1.00 4.45 C ATOM 1364 O ILE A 84 9.763 -5.657 4.873 1.00 11.52 O ATOM 1365 CB ILE A 84 8.237 -3.402 6.226 1.00 12.21 C ATOM 1366 CG1 ILE A 84 6.997 -2.890 6.981 1.00 60.24 C ATOM 1367 CG2 ILE A 84 9.137 -2.238 5.817 1.00 22.03 C ATOM 1368 CD1 ILE A 84 6.107 -1.979 6.160 1.00 73.03 C ATOM 0 H ILE A 84 6.965 -5.580 6.359 1.00 41.00 H new ATOM 0 HA ILE A 84 7.288 -3.604 4.284 1.00 61.52 H new ATOM 0 HB ILE A 84 8.802 -4.049 6.897 1.00 12.21 H new ATOM 0 HG12 ILE A 84 6.411 -3.745 7.318 1.00 60.24 H new ATOM 0 HG13 ILE A 84 7.323 -2.355 7.873 1.00 60.24 H new ATOM 0 HG21 ILE A 84 9.415 -1.665 6.701 1.00 22.03 H new ATOM 0 HG22 ILE A 84 10.036 -2.624 5.338 1.00 22.03 H new ATOM 0 HG23 ILE A 84 8.603 -1.593 5.120 1.00 22.03 H new ATOM 0 HD11 ILE A 84 5.256 -1.662 6.763 1.00 73.03 H new ATOM 0 HD12 ILE A 84 6.675 -1.104 5.844 1.00 73.03 H new ATOM 0 HD13 ILE A 84 5.749 -2.515 5.281 1.00 73.03 H new ATOM 1380 N ARG A 85 9.389 -4.325 3.110 1.00 40.34 N ATOM 1381 CA ARG A 85 10.637 -4.708 2.432 1.00 12.35 C ATOM 1382 C ARG A 85 11.692 -3.600 2.531 1.00 21.33 C ATOM 1383 O ARG A 85 12.890 -3.878 2.580 1.00 24.33 O ATOM 1384 CB ARG A 85 10.386 -5.060 0.958 1.00 51.43 C ATOM 1385 CG ARG A 85 9.623 -6.365 0.744 1.00 34.40 C ATOM 1386 CD ARG A 85 10.275 -7.537 1.483 1.00 44.11 C ATOM 1387 NE ARG A 85 11.737 -7.528 1.370 1.00 52.33 N ATOM 1388 CZ ARG A 85 12.439 -8.372 0.665 1.00 24.40 C ATOM 1389 NH1 ARG A 85 11.864 -9.282 -0.057 1.00 23.45 N ATOM 1390 NH2 ARG A 85 13.728 -8.291 0.683 1.00 2.33 N ATOM 0 H ARG A 85 8.799 -3.683 2.581 1.00 40.34 H new ATOM 0 HA ARG A 85 11.017 -5.593 2.942 1.00 12.35 H new ATOM 0 HB2 ARG A 85 9.829 -4.247 0.492 1.00 51.43 H new ATOM 0 HB3 ARG A 85 11.345 -5.125 0.444 1.00 51.43 H new ATOM 0 HG2 ARG A 85 8.596 -6.245 1.088 1.00 34.40 H new ATOM 0 HG3 ARG A 85 9.578 -6.588 -0.322 1.00 34.40 H new ATOM 0 HD2 ARG A 85 9.995 -7.500 2.536 1.00 44.11 H new ATOM 0 HD3 ARG A 85 9.889 -8.475 1.083 1.00 44.11 H new ATOM 0 HE ARG A 85 12.244 -6.806 1.882 1.00 52.33 H new ATOM 0 HH11 ARG A 85 10.846 -9.347 -0.080 1.00 23.45 H new ATOM 0 HH12 ARG A 85 12.429 -9.933 -0.602 1.00 23.45 H new ATOM 0 HH21 ARG A 85 14.186 -7.573 1.244 1.00 2.33 H new ATOM 0 HH22 ARG A 85 14.288 -8.945 0.136 1.00 2.33 H new ATOM 1404 N GLY A 86 11.240 -2.352 2.563 1.00 35.24 N ATOM 1405 CA GLY A 86 12.158 -1.227 2.683 1.00 42.33 C ATOM 1406 C GLY A 86 12.846 -0.862 1.371 1.00 1.25 C ATOM 1407 O GLY A 86 13.861 -1.459 1.004 1.00 32.12 O ATOM 0 H GLY A 86 10.254 -2.095 2.508 1.00 35.24 H new ATOM 0 HA2 GLY A 86 11.611 -0.359 3.051 1.00 42.33 H new ATOM 0 HA3 GLY A 86 12.917 -1.465 3.428 1.00 42.33 H new ATOM 1411 N GLY A 87 12.275 0.098 0.649 1.00 31.43 N ATOM 1412 CA GLY A 87 12.921 0.628 -0.543 1.00 64.10 C ATOM 1413 C GLY A 87 14.255 1.296 -0.232 1.00 2.03 C ATOM 1414 O GLY A 87 14.316 2.247 0.547 1.00 15.44 O ATOM 0 H GLY A 87 11.373 0.521 0.868 1.00 31.43 H new ATOM 0 HA2 GLY A 87 13.080 -0.180 -1.257 1.00 64.10 H new ATOM 0 HA3 GLY A 87 12.259 1.350 -1.021 1.00 64.10 H new ATOM 1418 N PHE A 88 15.327 0.794 -0.837 1.00 3.05 N ATOM 1419 CA PHE A 88 16.679 1.308 -0.589 1.00 41.13 C ATOM 1420 C PHE A 88 16.798 2.799 -0.956 1.00 43.45 C ATOM 1421 O PHE A 88 17.527 3.551 -0.307 1.00 62.23 O ATOM 1422 CB PHE A 88 17.704 0.471 -1.378 1.00 53.20 C ATOM 1423 CG PHE A 88 19.153 0.823 -1.118 1.00 15.24 C ATOM 1424 CD1 PHE A 88 19.539 1.440 0.064 1.00 70.41 C ATOM 1425 CD2 PHE A 88 20.132 0.511 -2.053 1.00 52.01 C ATOM 1426 CE1 PHE A 88 20.864 1.747 0.303 1.00 0.33 C ATOM 1427 CE2 PHE A 88 21.458 0.819 -1.818 1.00 41.44 C ATOM 1428 CZ PHE A 88 21.825 1.434 -0.637 1.00 72.14 C ATOM 0 H PHE A 88 15.290 0.026 -1.508 1.00 3.05 H new ATOM 0 HA PHE A 88 16.886 1.221 0.478 1.00 41.13 H new ATOM 0 HB2 PHE A 88 17.553 -0.581 -1.138 1.00 53.20 H new ATOM 0 HB3 PHE A 88 17.503 0.587 -2.443 1.00 53.20 H new ATOM 0 HD1 PHE A 88 18.793 1.683 0.806 1.00 70.41 H new ATOM 0 HD2 PHE A 88 19.853 0.022 -2.975 1.00 52.01 H new ATOM 0 HE1 PHE A 88 21.148 2.232 1.225 1.00 0.33 H new ATOM 0 HE2 PHE A 88 22.208 0.579 -2.558 1.00 41.44 H new ATOM 0 HZ PHE A 88 22.862 1.670 -0.449 1.00 72.14 H new ATOM 1438 N GLY A 89 16.074 3.222 -1.987 1.00 61.32 N ATOM 1439 CA GLY A 89 16.135 4.612 -2.427 1.00 23.23 C ATOM 1440 C GLY A 89 15.378 5.578 -1.512 1.00 31.24 C ATOM 1441 O GLY A 89 14.325 6.107 -1.883 1.00 25.10 O ATOM 0 H GLY A 89 15.444 2.630 -2.529 1.00 61.32 H new ATOM 0 HA2 GLY A 89 17.179 4.921 -2.484 1.00 23.23 H new ATOM 0 HA3 GLY A 89 15.726 4.684 -3.435 1.00 23.23 H new ATOM 1445 N GLY A 90 15.917 5.804 -0.313 1.00 35.40 N ATOM 1446 CA GLY A 90 15.330 6.758 0.627 1.00 0.42 C ATOM 1447 C GLY A 90 14.071 6.245 1.326 1.00 30.02 C ATOM 1448 O GLY A 90 14.114 5.842 2.489 1.00 22.23 O ATOM 0 H GLY A 90 16.758 5.340 0.029 1.00 35.40 H new ATOM 0 HA2 GLY A 90 16.074 7.014 1.382 1.00 0.42 H new ATOM 0 HA3 GLY A 90 15.088 7.677 0.093 1.00 0.42 H new ATOM 1452 N ARG A 91 12.951 6.262 0.611 1.00 14.43 N ATOM 1453 CA ARG A 91 11.649 5.904 1.186 1.00 2.20 C ATOM 1454 C ARG A 91 11.382 4.388 1.123 1.00 12.32 C ATOM 1455 O ARG A 91 11.600 3.746 0.094 1.00 30.02 O ATOM 1456 CB ARG A 91 10.543 6.673 0.452 1.00 41.12 C ATOM 1457 CG ARG A 91 10.672 8.189 0.582 1.00 53.04 C ATOM 1458 CD ARG A 91 9.731 8.927 -0.362 1.00 12.43 C ATOM 1459 NE ARG A 91 10.075 8.699 -1.763 1.00 62.11 N ATOM 1460 CZ ARG A 91 9.380 9.142 -2.773 1.00 12.35 C ATOM 1461 NH1 ARG A 91 8.299 9.834 -2.584 1.00 73.32 N ATOM 1462 NH2 ARG A 91 9.770 8.889 -3.978 1.00 41.14 N ATOM 0 H ARG A 91 12.914 6.521 -0.375 1.00 14.43 H new ATOM 0 HA ARG A 91 11.657 6.180 2.240 1.00 2.20 H new ATOM 0 HB2 ARG A 91 10.562 6.403 -0.604 1.00 41.12 H new ATOM 0 HB3 ARG A 91 9.574 6.363 0.843 1.00 41.12 H new ATOM 0 HG2 ARG A 91 10.459 8.484 1.609 1.00 53.04 H new ATOM 0 HG3 ARG A 91 11.700 8.484 0.372 1.00 53.04 H new ATOM 0 HD2 ARG A 91 8.707 8.600 -0.182 1.00 12.43 H new ATOM 0 HD3 ARG A 91 9.767 9.995 -0.149 1.00 12.43 H new ATOM 0 HE ARG A 91 10.915 8.157 -1.965 1.00 62.11 H new ATOM 0 HH11 ARG A 91 7.983 10.038 -1.636 1.00 73.32 H new ATOM 0 HH12 ARG A 91 7.765 10.174 -3.384 1.00 73.32 H new ATOM 0 HH21 ARG A 91 10.618 8.345 -4.136 1.00 41.14 H new ATOM 0 HH22 ARG A 91 9.230 9.233 -4.772 1.00 41.14 H new ATOM 1476 N LYS A 92 10.883 3.833 2.229 1.00 52.12 N ATOM 1477 CA LYS A 92 10.645 2.389 2.350 1.00 44.00 C ATOM 1478 C LYS A 92 9.439 1.921 1.512 1.00 22.24 C ATOM 1479 O LYS A 92 8.814 2.703 0.796 1.00 2.11 O ATOM 1480 CB LYS A 92 10.427 2.016 3.827 1.00 60.52 C ATOM 1481 CG LYS A 92 11.541 2.491 4.756 1.00 10.25 C ATOM 1482 CD LYS A 92 11.295 2.064 6.203 1.00 31.14 C ATOM 1483 CE LYS A 92 12.267 2.737 7.167 1.00 13.02 C ATOM 1484 NZ LYS A 92 12.111 4.217 7.174 1.00 51.22 N ATOM 0 H LYS A 92 10.633 4.366 3.062 1.00 52.12 H new ATOM 0 HA LYS A 92 11.529 1.882 1.963 1.00 44.00 H new ATOM 0 HB2 LYS A 92 9.481 2.441 4.163 1.00 60.52 H new ATOM 0 HB3 LYS A 92 10.337 0.933 3.908 1.00 60.52 H new ATOM 0 HG2 LYS A 92 12.495 2.088 4.415 1.00 10.25 H new ATOM 0 HG3 LYS A 92 11.618 3.577 4.706 1.00 10.25 H new ATOM 0 HD2 LYS A 92 10.272 2.313 6.486 1.00 31.14 H new ATOM 0 HD3 LYS A 92 11.394 0.982 6.284 1.00 31.14 H new ATOM 0 HE2 LYS A 92 12.105 2.351 8.173 1.00 13.02 H new ATOM 0 HE3 LYS A 92 13.289 2.482 6.888 1.00 13.02 H new ATOM 0 HZ1 LYS A 92 12.717 4.626 7.914 1.00 51.22 H new ATOM 0 HZ2 LYS A 92 12.389 4.600 6.248 1.00 51.22 H new ATOM 0 HZ3 LYS A 92 11.118 4.461 7.366 1.00 51.22 H new ATOM 1498 N GLU A 93 9.102 0.633 1.629 1.00 2.14 N ATOM 1499 CA GLU A 93 8.013 0.037 0.845 1.00 12.31 C ATOM 1500 C GLU A 93 7.318 -1.096 1.622 1.00 44.43 C ATOM 1501 O GLU A 93 7.955 -1.811 2.407 1.00 5.12 O ATOM 1502 CB GLU A 93 8.543 -0.495 -0.498 1.00 54.21 C ATOM 1503 CG GLU A 93 9.494 -1.681 -0.365 1.00 13.32 C ATOM 1504 CD GLU A 93 10.056 -2.136 -1.703 1.00 51.01 C ATOM 1505 OE1 GLU A 93 9.313 -2.770 -2.482 1.00 42.22 O ATOM 1506 OE2 GLU A 93 11.237 -1.857 -1.980 1.00 34.13 O ATOM 0 H GLU A 93 9.568 -0.019 2.260 1.00 2.14 H new ATOM 0 HA GLU A 93 7.278 0.819 0.653 1.00 12.31 H new ATOM 0 HB2 GLU A 93 7.697 -0.789 -1.120 1.00 54.21 H new ATOM 0 HB3 GLU A 93 9.057 0.313 -1.020 1.00 54.21 H new ATOM 0 HG2 GLU A 93 10.317 -1.409 0.296 1.00 13.32 H new ATOM 0 HG3 GLU A 93 8.968 -2.512 0.105 1.00 13.32 H new ATOM 1513 N ALA A 94 6.017 -1.252 1.393 1.00 33.51 N ATOM 1514 CA ALA A 94 5.210 -2.275 2.067 1.00 22.21 C ATOM 1515 C ALA A 94 4.363 -3.069 1.062 1.00 75.34 C ATOM 1516 O ALA A 94 3.652 -2.488 0.239 1.00 2.31 O ATOM 1517 CB ALA A 94 4.309 -1.625 3.111 1.00 41.34 C ATOM 0 H ALA A 94 5.490 -0.676 0.737 1.00 33.51 H new ATOM 0 HA ALA A 94 5.890 -2.971 2.559 1.00 22.21 H new ATOM 0 HB1 ALA A 94 3.714 -2.392 3.606 1.00 41.34 H new ATOM 0 HB2 ALA A 94 4.922 -1.108 3.850 1.00 41.34 H new ATOM 0 HB3 ALA A 94 3.646 -0.909 2.625 1.00 41.34 H new ATOM 1523 N HIS A 95 4.439 -4.395 1.134 1.00 54.21 N ATOM 1524 CA HIS A 95 3.694 -5.269 0.220 1.00 12.13 C ATOM 1525 C HIS A 95 2.444 -5.849 0.899 1.00 3.24 C ATOM 1526 O HIS A 95 2.514 -6.385 2.010 1.00 43.53 O ATOM 1527 CB HIS A 95 4.597 -6.402 -0.286 1.00 64.43 C ATOM 1528 CG HIS A 95 5.712 -5.930 -1.174 1.00 62.03 C ATOM 1529 ND1 HIS A 95 5.807 -6.332 -2.485 1.00 2.32 N ATOM 1530 CD2 HIS A 95 6.746 -5.101 -0.893 1.00 32.54 C ATOM 1531 CE1 HIS A 95 6.887 -5.742 -2.968 1.00 51.21 C ATOM 1532 NE2 HIS A 95 7.488 -4.987 -2.040 1.00 43.11 N ATOM 0 H HIS A 95 5.010 -4.893 1.817 1.00 54.21 H new ATOM 0 HA HIS A 95 3.368 -4.668 -0.629 1.00 12.13 H new ATOM 0 HB2 HIS A 95 5.022 -6.926 0.570 1.00 64.43 H new ATOM 0 HB3 HIS A 95 3.989 -7.124 -0.832 1.00 64.43 H new ATOM 0 HD2 HIS A 95 6.947 -4.622 0.054 1.00 32.54 H new ATOM 0 HE1 HIS A 95 7.240 -5.855 -3.983 1.00 51.21 H new ATOM 0 HE2 HIS A 95 8.336 -4.433 -2.163 1.00 43.11 H new ATOM 1540 N LEU A 96 1.303 -5.734 0.218 1.00 52.41 N ATOM 1541 CA LEU A 96 0.017 -6.195 0.753 1.00 24.24 C ATOM 1542 C LEU A 96 -0.205 -7.697 0.506 1.00 23.11 C ATOM 1543 O LEU A 96 0.473 -8.319 -0.313 1.00 4.21 O ATOM 1544 CB LEU A 96 -1.139 -5.387 0.135 1.00 4.54 C ATOM 1545 CG LEU A 96 -1.368 -3.983 0.729 1.00 61.11 C ATOM 1546 CD1 LEU A 96 -0.199 -3.048 0.419 1.00 31.24 C ATOM 1547 CD2 LEU A 96 -2.682 -3.393 0.222 1.00 32.24 C ATOM 0 H LEU A 96 1.242 -5.322 -0.713 1.00 52.41 H new ATOM 0 HA LEU A 96 0.039 -6.035 1.831 1.00 24.24 H new ATOM 0 HB2 LEU A 96 -0.954 -5.283 -0.934 1.00 4.54 H new ATOM 0 HB3 LEU A 96 -2.059 -5.962 0.245 1.00 4.54 H new ATOM 0 HG LEU A 96 -1.430 -4.086 1.812 1.00 61.11 H new ATOM 0 HD11 LEU A 96 -0.393 -2.067 0.852 1.00 31.24 H new ATOM 0 HD12 LEU A 96 0.717 -3.458 0.844 1.00 31.24 H new ATOM 0 HD13 LEU A 96 -0.086 -2.952 -0.661 1.00 31.24 H new ATOM 0 HD21 LEU A 96 -2.826 -2.402 0.652 1.00 32.24 H new ATOM 0 HD22 LEU A 96 -2.651 -3.316 -0.865 1.00 32.24 H new ATOM 0 HD23 LEU A 96 -3.509 -4.040 0.516 1.00 32.24 H new ATOM 1559 N MET A 97 -1.169 -8.264 1.226 1.00 30.54 N ATOM 1560 CA MET A 97 -1.493 -9.693 1.137 1.00 54.24 C ATOM 1561 C MET A 97 -2.958 -9.885 0.703 1.00 4.00 C ATOM 1562 O MET A 97 -3.781 -8.990 0.898 1.00 43.34 O ATOM 1563 CB MET A 97 -1.274 -10.343 2.510 1.00 44.51 C ATOM 1564 CG MET A 97 0.062 -9.990 3.142 1.00 34.10 C ATOM 1565 SD MET A 97 0.224 -10.622 4.822 1.00 51.11 S ATOM 1566 CE MET A 97 1.492 -9.529 5.453 1.00 61.13 C ATOM 0 H MET A 97 -1.750 -7.750 1.888 1.00 30.54 H new ATOM 0 HA MET A 97 -0.846 -10.161 0.396 1.00 54.24 H new ATOM 0 HB2 MET A 97 -2.077 -10.036 3.181 1.00 44.51 H new ATOM 0 HB3 MET A 97 -1.343 -11.426 2.406 1.00 44.51 H new ATOM 0 HG2 MET A 97 0.868 -10.392 2.528 1.00 34.10 H new ATOM 0 HG3 MET A 97 0.179 -8.906 3.153 1.00 34.10 H new ATOM 0 HE1 MET A 97 2.244 -10.113 5.984 1.00 61.13 H new ATOM 0 HE2 MET A 97 1.962 -9.000 4.624 1.00 61.13 H new ATOM 0 HE3 MET A 97 1.044 -8.808 6.136 1.00 61.13 H new ATOM 1576 N PRO A 98 -3.315 -11.053 0.128 1.00 42.42 N ATOM 1577 CA PRO A 98 -4.700 -11.343 -0.299 1.00 55.43 C ATOM 1578 C PRO A 98 -5.770 -10.977 0.751 1.00 52.13 C ATOM 1579 O PRO A 98 -6.870 -10.541 0.405 1.00 40.12 O ATOM 1580 CB PRO A 98 -4.674 -12.860 -0.525 1.00 42.33 C ATOM 1581 CG PRO A 98 -3.271 -13.150 -0.932 1.00 41.54 C ATOM 1582 CD PRO A 98 -2.403 -12.180 -0.168 1.00 11.32 C ATOM 0 HA PRO A 98 -4.977 -10.753 -1.172 1.00 55.43 H new ATOM 0 HB2 PRO A 98 -4.945 -13.401 0.381 1.00 42.33 H new ATOM 0 HB3 PRO A 98 -5.382 -13.159 -1.298 1.00 42.33 H new ATOM 0 HG2 PRO A 98 -3.003 -14.180 -0.698 1.00 41.54 H new ATOM 0 HG3 PRO A 98 -3.143 -13.024 -2.007 1.00 41.54 H new ATOM 0 HD2 PRO A 98 -2.010 -12.627 0.745 1.00 11.32 H new ATOM 0 HD3 PRO A 98 -1.546 -11.857 -0.760 1.00 11.32 H new ATOM 1590 N ARG A 99 -5.445 -11.152 2.033 1.00 35.35 N ATOM 1591 CA ARG A 99 -6.398 -10.885 3.122 1.00 54.25 C ATOM 1592 C ARG A 99 -6.290 -9.445 3.670 1.00 64.22 C ATOM 1593 O ARG A 99 -7.140 -9.010 4.451 1.00 31.22 O ATOM 1594 CB ARG A 99 -6.178 -11.891 4.260 1.00 12.22 C ATOM 1595 CG ARG A 99 -6.367 -13.344 3.831 1.00 52.35 C ATOM 1596 CD ARG A 99 -5.997 -14.322 4.939 1.00 44.25 C ATOM 1597 NE ARG A 99 -6.180 -15.709 4.520 1.00 20.25 N ATOM 1598 CZ ARG A 99 -5.739 -16.744 5.179 1.00 1.31 C ATOM 1599 NH1 ARG A 99 -5.070 -16.593 6.277 1.00 55.11 N ATOM 1600 NH2 ARG A 99 -5.957 -17.933 4.726 1.00 62.21 N ATOM 0 H ARG A 99 -4.531 -11.477 2.347 1.00 35.35 H new ATOM 0 HA ARG A 99 -7.400 -10.996 2.707 1.00 54.25 H new ATOM 0 HB2 ARG A 99 -5.170 -11.765 4.656 1.00 12.22 H new ATOM 0 HB3 ARG A 99 -6.870 -11.667 5.072 1.00 12.22 H new ATOM 0 HG2 ARG A 99 -7.405 -13.503 3.539 1.00 52.35 H new ATOM 0 HG3 ARG A 99 -5.755 -13.544 2.952 1.00 52.35 H new ATOM 0 HD2 ARG A 99 -4.959 -14.164 5.232 1.00 44.25 H new ATOM 0 HD3 ARG A 99 -6.610 -14.124 5.819 1.00 44.25 H new ATOM 0 HE ARG A 99 -6.688 -15.880 3.652 1.00 20.25 H new ATOM 0 HH11 ARG A 99 -4.883 -15.657 6.635 1.00 55.11 H new ATOM 0 HH12 ARG A 99 -4.730 -17.410 6.784 1.00 55.11 H new ATOM 0 HH21 ARG A 99 -6.473 -18.060 3.855 1.00 62.21 H new ATOM 0 HH22 ARG A 99 -5.614 -18.745 5.239 1.00 62.21 H new ATOM 1614 N SER A 100 -5.252 -8.713 3.263 1.00 62.43 N ATOM 1615 CA SER A 100 -5.016 -7.343 3.756 1.00 3.54 C ATOM 1616 C SER A 100 -6.155 -6.390 3.373 1.00 45.22 C ATOM 1617 O SER A 100 -6.481 -6.234 2.194 1.00 52.43 O ATOM 1618 CB SER A 100 -3.697 -6.785 3.206 1.00 42.44 C ATOM 1619 OG SER A 100 -2.606 -7.621 3.544 1.00 52.51 O ATOM 0 H SER A 100 -4.557 -9.041 2.592 1.00 62.43 H new ATOM 0 HA SER A 100 -4.967 -7.408 4.843 1.00 3.54 H new ATOM 0 HB2 SER A 100 -3.763 -6.690 2.122 1.00 42.44 H new ATOM 0 HB3 SER A 100 -3.529 -5.784 3.604 1.00 42.44 H new ATOM 0 HG SER A 100 -2.140 -7.252 4.323 1.00 52.51 H new ATOM 1625 N THR A 101 -6.754 -5.752 4.375 1.00 31.52 N ATOM 1626 CA THR A 101 -7.826 -4.769 4.153 1.00 41.43 C ATOM 1627 C THR A 101 -7.341 -3.346 4.454 1.00 10.54 C ATOM 1628 O THR A 101 -6.399 -3.151 5.220 1.00 0.55 O ATOM 1629 CB THR A 101 -9.063 -5.063 5.037 1.00 51.33 C ATOM 1630 OG1 THR A 101 -8.707 -5.013 6.431 1.00 71.12 O ATOM 1631 CG2 THR A 101 -9.657 -6.433 4.713 1.00 62.51 C ATOM 0 H THR A 101 -6.518 -5.895 5.357 1.00 31.52 H new ATOM 0 HA THR A 101 -8.107 -4.849 3.103 1.00 41.43 H new ATOM 0 HB THR A 101 -9.811 -4.299 4.826 1.00 51.33 H new ATOM 0 HG1 THR A 101 -9.499 -5.199 6.978 1.00 71.12 H new ATOM 0 HG21 THR A 101 -10.524 -6.613 5.348 1.00 62.51 H new ATOM 0 HG22 THR A 101 -9.962 -6.459 3.667 1.00 62.51 H new ATOM 0 HG23 THR A 101 -8.909 -7.205 4.892 1.00 62.51 H new ATOM 1639 N VAL A 102 -7.988 -2.345 3.856 1.00 41.54 N ATOM 1640 CA VAL A 102 -7.618 -0.943 4.098 1.00 43.34 C ATOM 1641 C VAL A 102 -8.778 -0.154 4.730 1.00 2.33 C ATOM 1642 O VAL A 102 -9.905 -0.168 4.231 1.00 35.11 O ATOM 1643 CB VAL A 102 -7.143 -0.229 2.800 1.00 3.03 C ATOM 1644 CG1 VAL A 102 -5.903 -0.915 2.229 1.00 52.32 C ATOM 1645 CG2 VAL A 102 -8.254 -0.168 1.751 1.00 51.43 C ATOM 0 H VAL A 102 -8.764 -2.473 3.206 1.00 41.54 H new ATOM 0 HA VAL A 102 -6.784 -0.964 4.799 1.00 43.34 H new ATOM 0 HB VAL A 102 -6.883 0.796 3.066 1.00 3.03 H new ATOM 0 HG11 VAL A 102 -5.588 -0.400 1.322 1.00 52.32 H new ATOM 0 HG12 VAL A 102 -5.098 -0.882 2.963 1.00 52.32 H new ATOM 0 HG13 VAL A 102 -6.137 -1.953 1.994 1.00 52.32 H new ATOM 0 HG21 VAL A 102 -7.885 0.338 0.859 1.00 51.43 H new ATOM 0 HG22 VAL A 102 -8.566 -1.180 1.492 1.00 51.43 H new ATOM 0 HG23 VAL A 102 -9.105 0.382 2.154 1.00 51.43 H new ATOM 1655 N GLU A 103 -8.491 0.520 5.839 1.00 54.43 N ATOM 1656 CA GLU A 103 -9.482 1.352 6.537 1.00 45.34 C ATOM 1657 C GLU A 103 -9.069 2.834 6.495 1.00 35.34 C ATOM 1658 O GLU A 103 -7.908 3.169 6.719 1.00 14.23 O ATOM 1659 CB GLU A 103 -9.654 0.870 7.992 1.00 42.53 C ATOM 1660 CG GLU A 103 -8.345 0.734 8.768 1.00 32.33 C ATOM 1661 CD GLU A 103 -8.529 0.115 10.151 1.00 52.03 C ATOM 1662 OE1 GLU A 103 -8.741 -1.119 10.228 1.00 32.14 O ATOM 1663 OE2 GLU A 103 -8.457 0.853 11.161 1.00 43.14 O ATOM 0 H GLU A 103 -7.572 0.510 6.282 1.00 54.43 H new ATOM 0 HA GLU A 103 -10.441 1.254 6.028 1.00 45.34 H new ATOM 0 HB2 GLU A 103 -10.304 1.568 8.519 1.00 42.53 H new ATOM 0 HB3 GLU A 103 -10.161 -0.095 7.985 1.00 42.53 H new ATOM 0 HG2 GLU A 103 -7.650 0.122 8.192 1.00 32.33 H new ATOM 0 HG3 GLU A 103 -7.889 1.718 8.875 1.00 32.33 H new ATOM 1670 N VAL A 104 -10.017 3.714 6.186 1.00 33.01 N ATOM 1671 CA VAL A 104 -9.717 5.145 6.031 1.00 73.31 C ATOM 1672 C VAL A 104 -9.690 5.896 7.375 1.00 22.22 C ATOM 1673 O VAL A 104 -10.542 5.688 8.245 1.00 21.22 O ATOM 1674 CB VAL A 104 -10.724 5.841 5.075 1.00 73.11 C ATOM 1675 CG1 VAL A 104 -10.616 5.263 3.663 1.00 32.42 C ATOM 1676 CG2 VAL A 104 -12.155 5.719 5.604 1.00 4.05 C ATOM 0 H VAL A 104 -10.996 3.469 6.037 1.00 33.01 H new ATOM 0 HA VAL A 104 -8.718 5.190 5.597 1.00 73.31 H new ATOM 0 HB VAL A 104 -10.471 6.900 5.031 1.00 73.11 H new ATOM 0 HG11 VAL A 104 -11.330 5.764 3.009 1.00 32.42 H new ATOM 0 HG12 VAL A 104 -9.606 5.417 3.283 1.00 32.42 H new ATOM 0 HG13 VAL A 104 -10.835 4.196 3.689 1.00 32.42 H new ATOM 0 HG21 VAL A 104 -12.841 6.214 4.916 1.00 4.05 H new ATOM 0 HG22 VAL A 104 -12.423 4.666 5.688 1.00 4.05 H new ATOM 0 HG23 VAL A 104 -12.222 6.190 6.585 1.00 4.05 H new ATOM 1686 N LEU A 105 -8.692 6.763 7.530 1.00 23.14 N ATOM 1687 CA LEU A 105 -8.569 7.635 8.704 1.00 64.15 C ATOM 1688 C LEU A 105 -8.698 9.108 8.287 1.00 53.33 C ATOM 1689 O LEU A 105 -8.561 9.422 7.106 1.00 24.22 O ATOM 1690 CB LEU A 105 -7.231 7.399 9.418 1.00 4.41 C ATOM 1691 CG LEU A 105 -7.005 5.965 9.930 1.00 74.53 C ATOM 1692 CD1 LEU A 105 -5.683 5.864 10.680 1.00 42.52 C ATOM 1693 CD2 LEU A 105 -8.161 5.509 10.820 1.00 53.45 C ATOM 0 H LEU A 105 -7.944 6.884 6.847 1.00 23.14 H new ATOM 0 HA LEU A 105 -9.374 7.394 9.398 1.00 64.15 H new ATOM 0 HB2 LEU A 105 -6.422 7.655 8.734 1.00 4.41 H new ATOM 0 HB3 LEU A 105 -7.163 8.084 10.263 1.00 4.41 H new ATOM 0 HG LEU A 105 -6.964 5.304 9.064 1.00 74.53 H new ATOM 0 HD11 LEU A 105 -5.542 4.843 11.034 1.00 42.52 H new ATOM 0 HD12 LEU A 105 -4.864 6.133 10.012 1.00 42.52 H new ATOM 0 HD13 LEU A 105 -5.695 6.544 11.532 1.00 42.52 H new ATOM 0 HD21 LEU A 105 -7.974 4.493 11.167 1.00 53.45 H new ATOM 0 HD22 LEU A 105 -8.244 6.176 11.678 1.00 53.45 H new ATOM 0 HD23 LEU A 105 -9.090 5.533 10.250 1.00 53.45 H new ATOM 1705 N ASP A 106 -8.922 9.985 9.275 1.00 12.31 N ATOM 1706 CA ASP A 106 -9.309 11.402 9.072 1.00 65.13 C ATOM 1707 C ASP A 106 -10.856 11.517 9.057 1.00 14.41 C ATOM 1708 O ASP A 106 -11.423 12.221 9.898 1.00 63.23 O ATOM 1709 CB ASP A 106 -8.630 12.039 7.842 1.00 10.20 C ATOM 1710 CG ASP A 106 -8.915 13.522 7.710 1.00 40.50 C ATOM 1711 OD1 ASP A 106 -8.368 14.312 8.510 1.00 43.42 O ATOM 1712 OD2 ASP A 106 -9.675 13.910 6.798 1.00 43.50 O ATOM 0 H ASP A 106 -8.840 9.732 10.260 1.00 12.31 H new ATOM 0 HA ASP A 106 -8.938 11.989 9.912 1.00 65.13 H new ATOM 0 HB2 ASP A 106 -7.553 11.886 7.909 1.00 10.20 H new ATOM 0 HB3 ASP A 106 -8.969 11.528 6.941 1.00 10.20 H new ATOM 1717 N PRO A 107 -11.581 10.854 8.114 1.00 1.31 N ATOM 1718 CA PRO A 107 -12.946 10.380 8.404 1.00 14.33 C ATOM 1719 C PRO A 107 -12.871 9.217 9.417 1.00 74.31 C ATOM 1720 O PRO A 107 -12.091 9.289 10.367 1.00 75.44 O ATOM 1721 CB PRO A 107 -13.464 9.908 7.033 1.00 55.41 C ATOM 1722 CG PRO A 107 -12.234 9.605 6.247 1.00 62.45 C ATOM 1723 CD PRO A 107 -11.210 10.608 6.704 1.00 53.11 C ATOM 0 HA PRO A 107 -13.598 11.134 8.845 1.00 14.33 H new ATOM 0 HB2 PRO A 107 -14.098 9.027 7.131 1.00 55.41 H new ATOM 0 HB3 PRO A 107 -14.063 10.679 6.549 1.00 55.41 H new ATOM 0 HG2 PRO A 107 -11.893 8.586 6.428 1.00 62.45 H new ATOM 0 HG3 PRO A 107 -12.420 9.693 5.177 1.00 62.45 H new ATOM 0 HD2 PRO A 107 -10.197 10.216 6.617 1.00 53.11 H new ATOM 0 HD3 PRO A 107 -11.250 11.522 6.112 1.00 53.11 H new ATOM 1731 N LEU A 108 -13.668 8.155 9.241 1.00 61.22 N ATOM 1732 CA LEU A 108 -13.502 6.939 10.062 1.00 42.43 C ATOM 1733 C LEU A 108 -14.414 5.790 9.583 1.00 72.24 C ATOM 1734 O LEU A 108 -15.571 6.005 9.223 1.00 25.33 O ATOM 1735 CB LEU A 108 -13.780 7.253 11.553 1.00 43.55 C ATOM 1736 CG LEU A 108 -12.804 6.628 12.577 1.00 41.00 C ATOM 1737 CD1 LEU A 108 -12.784 5.106 12.475 1.00 52.00 C ATOM 1738 CD2 LEU A 108 -11.396 7.199 12.403 1.00 75.11 C ATOM 0 H LEU A 108 -14.420 8.108 8.554 1.00 61.22 H new ATOM 0 HA LEU A 108 -12.469 6.609 9.949 1.00 42.43 H new ATOM 0 HB2 LEU A 108 -13.766 8.335 11.683 1.00 43.55 H new ATOM 0 HB3 LEU A 108 -14.789 6.916 11.792 1.00 43.55 H new ATOM 0 HG LEU A 108 -13.162 6.888 13.573 1.00 41.00 H new ATOM 0 HD11 LEU A 108 -12.087 4.701 13.209 1.00 52.00 H new ATOM 0 HD12 LEU A 108 -13.783 4.715 12.669 1.00 52.00 H new ATOM 0 HD13 LEU A 108 -12.467 4.813 11.474 1.00 52.00 H new ATOM 0 HD21 LEU A 108 -10.726 6.745 13.134 1.00 75.11 H new ATOM 0 HD22 LEU A 108 -11.037 6.981 11.397 1.00 75.11 H new ATOM 0 HD23 LEU A 108 -11.420 8.278 12.554 1.00 75.11 H new ATOM 1750 N GLU A 109 -13.870 4.571 9.567 1.00 71.22 N ATOM 1751 CA GLU A 109 -14.660 3.355 9.294 1.00 53.35 C ATOM 1752 C GLU A 109 -15.531 2.982 10.509 1.00 43.20 C ATOM 1753 O GLU A 109 -16.740 2.775 10.388 1.00 32.53 O ATOM 1754 CB GLU A 109 -13.719 2.184 8.948 1.00 33.42 C ATOM 1755 CG GLU A 109 -13.000 2.326 7.602 1.00 10.35 C ATOM 1756 CD GLU A 109 -13.831 1.864 6.404 1.00 4.54 C ATOM 1757 OE1 GLU A 109 -15.077 1.877 6.485 1.00 15.11 O ATOM 1758 OE2 GLU A 109 -13.234 1.469 5.377 1.00 53.31 O ATOM 0 H GLU A 109 -12.881 4.393 9.740 1.00 71.22 H new ATOM 0 HA GLU A 109 -15.316 3.556 8.447 1.00 53.35 H new ATOM 0 HB2 GLU A 109 -12.973 2.089 9.737 1.00 33.42 H new ATOM 0 HB3 GLU A 109 -14.296 1.259 8.942 1.00 33.42 H new ATOM 0 HG2 GLU A 109 -12.722 3.370 7.458 1.00 10.35 H new ATOM 0 HG3 GLU A 109 -12.074 1.751 7.633 1.00 10.35 H new ATOM 1765 N HIS A 110 -14.891 2.869 11.674 1.00 72.44 N ATOM 1766 CA HIS A 110 -15.585 2.604 12.942 1.00 33.40 C ATOM 1767 C HIS A 110 -16.470 3.794 13.380 1.00 2.21 C ATOM 1768 O HIS A 110 -15.934 4.743 13.996 1.00 37.21 O ATOM 1769 CB HIS A 110 -14.547 2.290 14.033 1.00 32.11 C ATOM 1770 CG HIS A 110 -14.969 1.195 14.953 1.00 53.43 C ATOM 1771 ND1 HIS A 110 -15.476 1.404 16.214 1.00 75.20 N ATOM 1772 CD2 HIS A 110 -14.955 -0.138 14.770 1.00 31.45 C ATOM 1773 CE1 HIS A 110 -15.761 0.242 16.766 1.00 42.13 C ATOM 1774 NE2 HIS A 110 -15.455 -0.713 15.912 1.00 24.03 N ATOM 0 H HIS A 110 -13.879 2.958 11.769 1.00 72.44 H new ATOM 0 HA HIS A 110 -16.244 1.749 12.793 1.00 33.40 H new ATOM 0 HB2 HIS A 110 -13.605 2.014 13.559 1.00 32.11 H new ATOM 0 HB3 HIS A 110 -14.359 3.192 14.616 1.00 32.11 H new ATOM 0 HD2 HIS A 110 -14.614 -0.659 13.888 1.00 31.45 H new ATOM 0 HE1 HIS A 110 -16.176 0.097 17.753 1.00 42.13 H new ATOM 0 HE2 HIS A 110 -15.570 -1.714 16.073 1.00 24.03 H new TER 1783 HIS A 110