USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 876 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 41 TYR OH : rot -141:sc= 0.991 USER MOD Set 1.2: B 249 HIS : no HE2:sc= 0.73 K(o=1.7,f=-9.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 149:sc= -0.243 (180deg=-2.03!) USER MOD Single : A 11 LYS NZ :NH3+ 173:sc=-0.00121 (180deg=-0.0789) USER MOD Single : A 13 THR OG1 : rot -90:sc= -0.899 USER MOD Single : A 14 LYS NZ :NH3+ -117:sc= 0 (180deg=-0.0155) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -21:sc= 0.225 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl 154:sc= -0.188 (180deg=-0.73) USER MOD Single : A 39 SER OG : rot -51:sc= 0.858 USER MOD Single : A 48 ASN : amide:sc= 1.13 K(o=1.1,f=-0.026) USER MOD Single : A 49 HIS : no HD1:sc= -0.63 K(o=-0.63,f=-1.8) USER MOD Single : B 201 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 211 LYS NZ :NH3+ -121:sc= -0.0165 (180deg=-0.0198) USER MOD Single : B 213 THR OG1 : rot 180:sc= -0.137 USER MOD Single : B 214 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0594) USER MOD Single : B 221 TYR OH : rot 180:sc= 1.1 USER MOD Single : B 229 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 230 SER OG : rot -22:sc= 0.564 USER MOD Single : B 235 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 236 THR OG1 : rot 180:sc= 0 USER MOD Single : B 237 SER OG : rot 180:sc= -0.14 USER MOD Single : B 238 MET CE :methyl 165:sc= -3.04 (180deg=-4.03!) USER MOD Single : B 239 SER OG : rot 180:sc= -0.0653 USER MOD Single : B 241 TYR OH : rot 180:sc= 0 USER MOD Single : B 248 ASN : amide:sc= -0.0875 X(o=-0.088,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.134 9.869 1.332 1.00 34.24 N ATOM 2 CA MET A 1 16.900 11.256 1.825 1.00 32.41 C ATOM 3 C MET A 1 17.014 11.329 3.352 1.00 74.33 C ATOM 4 O MET A 1 16.655 10.387 4.054 1.00 5.13 O ATOM 5 CB MET A 1 15.516 11.758 1.385 1.00 42.31 C ATOM 6 CG MET A 1 15.374 11.943 -0.119 1.00 73.12 C ATOM 7 SD MET A 1 15.723 10.430 -1.034 1.00 52.33 S ATOM 8 CE MET A 1 15.448 10.970 -2.722 1.00 72.42 C ATOM 0 H1 MET A 1 16.577 9.709 0.469 1.00 34.24 H new ATOM 0 H2 MET A 1 18.144 9.742 1.121 1.00 34.24 H new ATOM 0 H3 MET A 1 16.845 9.188 2.062 1.00 34.24 H new ATOM 0 HA MET A 1 17.669 11.895 1.390 1.00 32.41 H new ATOM 0 HB2 MET A 1 14.759 11.052 1.727 1.00 42.31 H new ATOM 0 HB3 MET A 1 15.312 12.708 1.879 1.00 42.31 H new ATOM 0 HG2 MET A 1 14.362 12.277 -0.347 1.00 73.12 H new ATOM 0 HG3 MET A 1 16.052 12.730 -0.451 1.00 73.12 H new ATOM 0 HE1 MET A 1 15.626 10.138 -3.404 1.00 72.42 H new ATOM 0 HE2 MET A 1 14.420 11.314 -2.831 1.00 72.42 H new ATOM 0 HE3 MET A 1 16.131 11.786 -2.959 1.00 72.42 H new ATOM 20 N VAL A 2 17.515 12.454 3.856 1.00 72.51 N ATOM 21 CA VAL A 2 17.651 12.669 5.303 1.00 23.33 C ATOM 22 C VAL A 2 16.320 13.117 5.943 1.00 35.51 C ATOM 23 O VAL A 2 16.191 13.181 7.167 1.00 53.12 O ATOM 24 CB VAL A 2 18.755 13.721 5.595 1.00 1.55 C ATOM 25 CG1 VAL A 2 18.335 15.107 5.111 1.00 0.42 C ATOM 26 CG2 VAL A 2 19.126 13.738 7.079 1.00 63.42 C ATOM 0 H VAL A 2 17.836 13.236 3.285 1.00 72.51 H new ATOM 0 HA VAL A 2 17.934 11.715 5.747 1.00 23.33 H new ATOM 0 HB VAL A 2 19.646 13.432 5.038 1.00 1.55 H new ATOM 0 HG11 VAL A 2 19.127 15.824 5.328 1.00 0.42 H new ATOM 0 HG12 VAL A 2 18.156 15.078 4.036 1.00 0.42 H new ATOM 0 HG13 VAL A 2 17.421 15.410 5.623 1.00 0.42 H new ATOM 0 HG21 VAL A 2 19.901 14.485 7.252 1.00 63.42 H new ATOM 0 HG22 VAL A 2 18.245 13.986 7.671 1.00 63.42 H new ATOM 0 HG23 VAL A 2 19.496 12.756 7.373 1.00 63.42 H new ATOM 36 N GLY A 3 15.331 13.431 5.108 1.00 4.13 N ATOM 37 CA GLY A 3 14.031 13.871 5.611 1.00 61.51 C ATOM 38 C GLY A 3 13.266 14.745 4.623 1.00 23.14 C ATOM 39 O GLY A 3 12.037 14.670 4.536 1.00 25.21 O ATOM 0 H GLY A 3 15.403 13.390 4.091 1.00 4.13 H new ATOM 0 HA2 GLY A 3 13.428 12.996 5.854 1.00 61.51 H new ATOM 0 HA3 GLY A 3 14.177 14.425 6.538 1.00 61.51 H new ATOM 43 N ARG A 4 13.987 15.592 3.893 1.00 63.52 N ATOM 44 CA ARG A 4 13.378 16.441 2.863 1.00 31.42 C ATOM 45 C ARG A 4 12.737 15.613 1.738 1.00 24.44 C ATOM 46 O ARG A 4 13.386 14.782 1.100 1.00 51.45 O ATOM 47 CB ARG A 4 14.418 17.420 2.297 1.00 60.31 C ATOM 48 CG ARG A 4 14.719 18.579 3.244 1.00 22.00 C ATOM 49 CD ARG A 4 15.820 19.495 2.719 1.00 22.33 C ATOM 50 NE ARG A 4 15.829 20.771 3.434 1.00 51.43 N ATOM 51 CZ ARG A 4 16.589 21.050 4.460 1.00 13.12 C ATOM 52 NH1 ARG A 4 17.452 20.196 4.908 1.00 64.23 N ATOM 53 NH2 ARG A 4 16.483 22.200 5.043 1.00 14.52 N ATOM 0 H ARG A 4 14.995 15.712 3.993 1.00 63.52 H new ATOM 0 HA ARG A 4 12.578 17.010 3.335 1.00 31.42 H new ATOM 0 HB2 ARG A 4 15.341 16.880 2.087 1.00 60.31 H new ATOM 0 HB3 ARG A 4 14.057 17.817 1.348 1.00 60.31 H new ATOM 0 HG2 ARG A 4 13.811 19.161 3.400 1.00 22.00 H new ATOM 0 HG3 ARG A 4 15.014 18.182 4.215 1.00 22.00 H new ATOM 0 HD2 ARG A 4 16.788 19.006 2.830 1.00 22.33 H new ATOM 0 HD3 ARG A 4 15.672 19.673 1.654 1.00 22.33 H new ATOM 0 HE ARG A 4 15.194 21.499 3.107 1.00 51.43 H new ATOM 0 HH11 ARG A 4 17.549 19.285 4.459 1.00 64.23 H new ATOM 0 HH12 ARG A 4 18.036 20.434 5.710 1.00 64.23 H new ATOM 0 HH21 ARG A 4 15.808 22.885 4.702 1.00 14.52 H new ATOM 0 HH22 ARG A 4 17.074 22.422 5.844 1.00 14.52 H new ATOM 67 N ARG A 5 11.448 15.850 1.516 1.00 54.44 N ATOM 68 CA ARG A 5 10.664 15.114 0.517 1.00 2.33 C ATOM 69 C ARG A 5 10.449 15.949 -0.759 1.00 72.14 C ATOM 70 O ARG A 5 10.212 17.157 -0.685 1.00 54.30 O ATOM 71 CB ARG A 5 9.311 14.720 1.133 1.00 44.41 C ATOM 72 CG ARG A 5 9.439 13.732 2.294 1.00 63.44 C ATOM 73 CD ARG A 5 8.242 13.783 3.242 1.00 33.43 C ATOM 74 NE ARG A 5 6.970 13.491 2.581 1.00 70.03 N ATOM 75 CZ ARG A 5 5.860 13.225 3.223 1.00 54.20 C ATOM 76 NH1 ARG A 5 5.841 13.184 4.514 1.00 35.15 N ATOM 77 NH2 ARG A 5 4.771 12.984 2.572 1.00 34.31 N ATOM 0 H ARG A 5 10.913 16.557 2.021 1.00 54.44 H new ATOM 0 HA ARG A 5 11.216 14.219 0.230 1.00 2.33 H new ATOM 0 HB2 ARG A 5 8.804 15.619 1.484 1.00 44.41 H new ATOM 0 HB3 ARG A 5 8.681 14.281 0.359 1.00 44.41 H new ATOM 0 HG2 ARG A 5 9.541 12.722 1.897 1.00 63.44 H new ATOM 0 HG3 ARG A 5 10.350 13.949 2.852 1.00 63.44 H new ATOM 0 HD2 ARG A 5 8.396 13.068 4.050 1.00 33.43 H new ATOM 0 HD3 ARG A 5 8.189 14.772 3.697 1.00 33.43 H new ATOM 0 HE ARG A 5 6.946 13.495 1.561 1.00 70.03 H new ATOM 0 HH11 ARG A 5 6.696 13.360 5.042 1.00 35.15 H new ATOM 0 HH12 ARG A 5 4.971 12.976 5.005 1.00 35.15 H new ATOM 0 HH21 ARG A 5 4.772 13.000 1.552 1.00 34.31 H new ATOM 0 HH22 ARG A 5 3.910 12.777 3.078 1.00 34.31 H new ATOM 91 N PRO A 6 10.539 15.316 -1.951 1.00 15.35 N ATOM 92 CA PRO A 6 10.343 16.009 -3.244 1.00 70.23 C ATOM 93 C PRO A 6 8.907 16.539 -3.434 1.00 72.30 C ATOM 94 O PRO A 6 7.984 16.135 -2.724 1.00 53.45 O ATOM 95 CB PRO A 6 10.659 14.922 -4.292 1.00 64.41 C ATOM 96 CG PRO A 6 11.392 13.853 -3.545 1.00 61.53 C ATOM 97 CD PRO A 6 10.853 13.889 -2.141 1.00 64.41 C ATOM 0 HA PRO A 6 10.976 16.893 -3.320 1.00 70.23 H new ATOM 0 HB2 PRO A 6 9.746 14.532 -4.741 1.00 64.41 H new ATOM 0 HB3 PRO A 6 11.267 15.323 -5.103 1.00 64.41 H new ATOM 0 HG2 PRO A 6 11.230 12.876 -4.001 1.00 61.53 H new ATOM 0 HG3 PRO A 6 12.467 14.035 -3.556 1.00 61.53 H new ATOM 0 HD2 PRO A 6 9.969 13.262 -2.031 1.00 64.41 H new ATOM 0 HD3 PRO A 6 11.587 13.536 -1.416 1.00 64.41 H new ATOM 105 N GLY A 7 8.720 17.436 -4.403 1.00 25.52 N ATOM 106 CA GLY A 7 7.399 18.019 -4.651 1.00 65.00 C ATOM 107 C GLY A 7 6.915 17.841 -6.087 1.00 33.50 C ATOM 108 O GLY A 7 7.710 17.882 -7.031 1.00 54.24 O ATOM 0 H GLY A 7 9.457 17.772 -5.023 1.00 25.52 H new ATOM 0 HA2 GLY A 7 6.677 17.564 -3.973 1.00 65.00 H new ATOM 0 HA3 GLY A 7 7.430 19.083 -4.416 1.00 65.00 H new ATOM 112 N GLY A 8 5.608 17.642 -6.254 1.00 30.03 N ATOM 113 CA GLY A 8 5.035 17.477 -7.585 1.00 22.32 C ATOM 114 C GLY A 8 3.559 17.079 -7.569 1.00 22.11 C ATOM 115 O GLY A 8 2.690 17.851 -7.978 1.00 20.13 O ATOM 0 H GLY A 8 4.933 17.592 -5.491 1.00 30.03 H new ATOM 0 HA2 GLY A 8 5.145 18.410 -8.138 1.00 22.32 H new ATOM 0 HA3 GLY A 8 5.602 16.718 -8.124 1.00 22.32 H new ATOM 119 N GLY A 9 3.278 15.872 -7.083 1.00 33.05 N ATOM 120 CA GLY A 9 1.916 15.338 -7.103 1.00 74.50 C ATOM 121 C GLY A 9 1.745 14.183 -8.091 1.00 73.22 C ATOM 122 O GLY A 9 0.642 13.648 -8.255 1.00 13.43 O ATOM 0 H GLY A 9 3.971 15.247 -6.672 1.00 33.05 H new ATOM 0 HA2 GLY A 9 1.650 14.996 -6.103 1.00 74.50 H new ATOM 0 HA3 GLY A 9 1.221 16.137 -7.362 1.00 74.50 H new ATOM 126 N LEU A 10 2.841 13.781 -8.737 1.00 15.25 N ATOM 127 CA LEU A 10 2.810 12.731 -9.769 1.00 74.53 C ATOM 128 C LEU A 10 4.015 11.782 -9.653 1.00 12.44 C ATOM 129 O LEU A 10 3.890 10.649 -9.187 1.00 54.13 O ATOM 130 CB LEU A 10 2.800 13.355 -11.176 1.00 21.52 C ATOM 131 CG LEU A 10 1.595 14.247 -11.514 1.00 34.34 C ATOM 132 CD1 LEU A 10 1.756 14.855 -12.906 1.00 15.54 C ATOM 133 CD2 LEU A 10 0.290 13.459 -11.417 1.00 31.02 C ATOM 0 H LEU A 10 3.769 14.167 -8.565 1.00 15.25 H new ATOM 0 HA LEU A 10 1.897 12.157 -9.611 1.00 74.53 H new ATOM 0 HB2 LEU A 10 3.708 13.946 -11.295 1.00 21.52 H new ATOM 0 HB3 LEU A 10 2.846 12.549 -11.909 1.00 21.52 H new ATOM 0 HG LEU A 10 1.554 15.057 -10.786 1.00 34.34 H new ATOM 0 HD11 LEU A 10 0.894 15.484 -13.130 1.00 15.54 H new ATOM 0 HD12 LEU A 10 2.663 15.458 -12.937 1.00 15.54 H new ATOM 0 HD13 LEU A 10 1.825 14.057 -13.646 1.00 15.54 H new ATOM 0 HD21 LEU A 10 -0.548 14.112 -11.661 1.00 31.02 H new ATOM 0 HD22 LEU A 10 0.316 12.625 -12.118 1.00 31.02 H new ATOM 0 HD23 LEU A 10 0.170 13.077 -10.403 1.00 31.02 H new ATOM 145 N LYS A 11 5.183 12.262 -10.084 1.00 4.11 N ATOM 146 CA LYS A 11 6.400 11.439 -10.156 1.00 25.15 C ATOM 147 C LYS A 11 7.280 11.567 -8.900 1.00 43.12 C ATOM 148 O LYS A 11 8.370 10.995 -8.836 1.00 4.55 O ATOM 149 CB LYS A 11 7.203 11.825 -11.408 1.00 1.54 C ATOM 150 CG LYS A 11 7.421 13.328 -11.558 1.00 33.23 C ATOM 151 CD LYS A 11 8.249 13.665 -12.795 1.00 31.21 C ATOM 152 CE LYS A 11 8.274 15.167 -13.072 1.00 42.33 C ATOM 153 NZ LYS A 11 8.765 15.948 -11.906 1.00 31.02 N ATOM 0 H LYS A 11 5.316 13.225 -10.392 1.00 4.11 H new ATOM 0 HA LYS A 11 6.088 10.396 -10.215 1.00 25.15 H new ATOM 0 HB2 LYS A 11 8.172 11.328 -11.375 1.00 1.54 H new ATOM 0 HB3 LYS A 11 6.684 11.452 -12.291 1.00 1.54 H new ATOM 0 HG2 LYS A 11 6.455 13.830 -11.620 1.00 33.23 H new ATOM 0 HG3 LYS A 11 7.923 13.712 -10.670 1.00 33.23 H new ATOM 0 HD2 LYS A 11 9.268 13.304 -12.659 1.00 31.21 H new ATOM 0 HD3 LYS A 11 7.839 13.143 -13.660 1.00 31.21 H new ATOM 0 HE2 LYS A 11 8.912 15.365 -13.933 1.00 42.33 H new ATOM 0 HE3 LYS A 11 7.271 15.502 -13.335 1.00 42.33 H new ATOM 0 HZ1 LYS A 11 8.877 16.945 -12.179 1.00 31.02 H new ATOM 0 HZ2 LYS A 11 8.080 15.877 -11.127 1.00 31.02 H new ATOM 0 HZ3 LYS A 11 9.682 15.569 -11.596 1.00 31.02 H new ATOM 167 N ASP A 12 6.816 12.324 -7.914 1.00 34.41 N ATOM 168 CA ASP A 12 7.511 12.441 -6.625 1.00 35.15 C ATOM 169 C ASP A 12 7.367 11.143 -5.811 1.00 55.43 C ATOM 170 O ASP A 12 8.314 10.679 -5.169 1.00 61.42 O ATOM 171 CB ASP A 12 6.965 13.645 -5.839 1.00 52.31 C ATOM 172 CG ASP A 12 5.451 13.617 -5.703 1.00 60.11 C ATOM 173 OD1 ASP A 12 4.764 13.562 -6.740 1.00 44.32 O ATOM 174 OD2 ASP A 12 4.941 13.673 -4.564 1.00 64.32 O ATOM 0 H ASP A 12 5.957 12.871 -7.977 1.00 34.41 H new ATOM 0 HA ASP A 12 8.573 12.603 -6.812 1.00 35.15 H new ATOM 0 HB2 ASP A 12 7.415 13.660 -4.846 1.00 52.31 H new ATOM 0 HB3 ASP A 12 7.264 14.566 -6.339 1.00 52.31 H new ATOM 179 N THR A 13 6.170 10.567 -5.845 1.00 43.02 N ATOM 180 CA THR A 13 5.907 9.258 -5.233 1.00 70.24 C ATOM 181 C THR A 13 5.670 8.199 -6.319 1.00 61.21 C ATOM 182 O THR A 13 4.690 8.271 -7.061 1.00 43.55 O ATOM 183 CB THR A 13 4.683 9.304 -4.280 1.00 45.20 C ATOM 184 OG1 THR A 13 3.495 9.702 -4.990 1.00 62.24 O ATOM 185 CG2 THR A 13 4.926 10.271 -3.125 1.00 75.11 C ATOM 0 H THR A 13 5.356 10.987 -6.293 1.00 43.02 H new ATOM 0 HA THR A 13 6.786 8.992 -4.646 1.00 70.24 H new ATOM 0 HB THR A 13 4.543 8.300 -3.881 1.00 45.20 H new ATOM 0 HG1 THR A 13 3.406 10.677 -4.958 1.00 62.24 H new ATOM 0 HG21 THR A 13 4.053 10.285 -2.472 1.00 75.11 H new ATOM 0 HG22 THR A 13 5.799 9.948 -2.558 1.00 75.11 H new ATOM 0 HG23 THR A 13 5.100 11.272 -3.519 1.00 75.11 H new ATOM 193 N LYS A 14 6.566 7.216 -6.403 1.00 53.33 N ATOM 194 CA LYS A 14 6.552 6.230 -7.495 1.00 63.42 C ATOM 195 C LYS A 14 5.410 5.205 -7.338 1.00 11.12 C ATOM 196 O LYS A 14 5.127 4.742 -6.230 1.00 54.11 O ATOM 197 CB LYS A 14 7.907 5.506 -7.560 1.00 43.15 C ATOM 198 CG LYS A 14 9.111 6.448 -7.631 1.00 70.51 C ATOM 199 CD LYS A 14 9.036 7.395 -8.830 1.00 21.30 C ATOM 200 CE LYS A 14 10.171 8.413 -8.824 1.00 60.32 C ATOM 201 NZ LYS A 14 11.503 7.779 -8.995 1.00 55.05 N ATOM 0 H LYS A 14 7.316 7.077 -5.726 1.00 53.33 H new ATOM 0 HA LYS A 14 6.377 6.770 -8.426 1.00 63.42 H new ATOM 0 HB2 LYS A 14 8.009 4.867 -6.683 1.00 43.15 H new ATOM 0 HB3 LYS A 14 7.917 4.853 -8.433 1.00 43.15 H new ATOM 0 HG2 LYS A 14 9.168 7.032 -6.712 1.00 70.51 H new ATOM 0 HG3 LYS A 14 10.027 5.860 -7.692 1.00 70.51 H new ATOM 0 HD2 LYS A 14 9.073 6.816 -9.753 1.00 21.30 H new ATOM 0 HD3 LYS A 14 8.080 7.918 -8.820 1.00 21.30 H new ATOM 0 HE2 LYS A 14 10.011 9.136 -9.624 1.00 60.32 H new ATOM 0 HE3 LYS A 14 10.153 8.967 -7.885 1.00 60.32 H new ATOM 0 HZ1 LYS A 14 12.079 7.947 -8.145 1.00 55.05 H new ATOM 0 HZ2 LYS A 14 11.385 6.756 -9.137 1.00 55.05 H new ATOM 0 HZ3 LYS A 14 11.980 8.190 -9.823 1.00 55.05 H new ATOM 215 N PRO A 15 4.737 4.841 -8.453 1.00 24.11 N ATOM 216 CA PRO A 15 3.591 3.916 -8.430 1.00 23.25 C ATOM 217 C PRO A 15 3.981 2.421 -8.384 1.00 33.34 C ATOM 218 O PRO A 15 4.458 1.853 -9.370 1.00 34.50 O ATOM 219 CB PRO A 15 2.867 4.252 -9.739 1.00 42.43 C ATOM 220 CG PRO A 15 3.955 4.670 -10.673 1.00 31.14 C ATOM 221 CD PRO A 15 5.025 5.320 -9.823 1.00 14.11 C ATOM 0 HA PRO A 15 2.992 4.045 -7.529 1.00 23.25 H new ATOM 0 HB2 PRO A 15 2.323 3.389 -10.124 1.00 42.43 H new ATOM 0 HB3 PRO A 15 2.139 5.050 -9.596 1.00 42.43 H new ATOM 0 HG2 PRO A 15 4.356 3.811 -11.211 1.00 31.14 H new ATOM 0 HG3 PRO A 15 3.577 5.367 -11.421 1.00 31.14 H new ATOM 0 HD2 PRO A 15 6.024 5.027 -10.146 1.00 14.11 H new ATOM 0 HD3 PRO A 15 4.977 6.407 -9.884 1.00 14.11 H new ATOM 229 N VAL A 16 3.772 1.796 -7.228 1.00 10.30 N ATOM 230 CA VAL A 16 3.975 0.351 -7.060 1.00 63.42 C ATOM 231 C VAL A 16 2.617 -0.378 -6.977 1.00 63.51 C ATOM 232 O VAL A 16 1.613 0.213 -6.577 1.00 13.34 O ATOM 233 CB VAL A 16 4.816 0.055 -5.786 1.00 33.32 C ATOM 234 CG1 VAL A 16 4.118 0.585 -4.532 1.00 20.12 C ATOM 235 CG2 VAL A 16 5.119 -1.439 -5.656 1.00 1.15 C ATOM 0 H VAL A 16 3.458 2.271 -6.381 1.00 10.30 H new ATOM 0 HA VAL A 16 4.521 -0.017 -7.929 1.00 63.42 H new ATOM 0 HB VAL A 16 5.767 0.578 -5.888 1.00 33.32 H new ATOM 0 HG11 VAL A 16 4.728 0.365 -3.656 1.00 20.12 H new ATOM 0 HG12 VAL A 16 3.983 1.663 -4.619 1.00 20.12 H new ATOM 0 HG13 VAL A 16 3.145 0.105 -4.427 1.00 20.12 H new ATOM 0 HG21 VAL A 16 5.708 -1.614 -4.756 1.00 1.15 H new ATOM 0 HG22 VAL A 16 4.184 -1.996 -5.592 1.00 1.15 H new ATOM 0 HG23 VAL A 16 5.681 -1.774 -6.528 1.00 1.15 H new ATOM 245 N VAL A 17 2.576 -1.651 -7.372 1.00 12.30 N ATOM 246 CA VAL A 17 1.319 -2.422 -7.358 1.00 4.42 C ATOM 247 C VAL A 17 1.258 -3.412 -6.176 1.00 22.34 C ATOM 248 O VAL A 17 2.278 -3.962 -5.759 1.00 11.12 O ATOM 249 CB VAL A 17 1.121 -3.188 -8.695 1.00 3.51 C ATOM 250 CG1 VAL A 17 2.201 -4.252 -8.891 1.00 44.52 C ATOM 251 CG2 VAL A 17 -0.275 -3.804 -8.772 1.00 32.34 C ATOM 0 H VAL A 17 3.388 -2.172 -7.704 1.00 12.30 H new ATOM 0 HA VAL A 17 0.511 -1.701 -7.235 1.00 4.42 H new ATOM 0 HB VAL A 17 1.216 -2.467 -9.507 1.00 3.51 H new ATOM 0 HG11 VAL A 17 2.034 -4.770 -9.835 1.00 44.52 H new ATOM 0 HG12 VAL A 17 3.182 -3.777 -8.906 1.00 44.52 H new ATOM 0 HG13 VAL A 17 2.158 -4.969 -8.071 1.00 44.52 H new ATOM 0 HG21 VAL A 17 -0.387 -4.334 -9.718 1.00 32.34 H new ATOM 0 HG22 VAL A 17 -0.411 -4.502 -7.946 1.00 32.34 H new ATOM 0 HG23 VAL A 17 -1.025 -3.015 -8.707 1.00 32.34 H new ATOM 261 N VAL A 18 0.053 -3.617 -5.634 1.00 2.14 N ATOM 262 CA VAL A 18 -0.166 -4.566 -4.536 1.00 40.21 C ATOM 263 C VAL A 18 -1.561 -5.215 -4.624 1.00 4.22 C ATOM 264 O VAL A 18 -2.582 -4.528 -4.624 1.00 31.23 O ATOM 265 CB VAL A 18 0.000 -3.875 -3.156 1.00 50.52 C ATOM 266 CG1 VAL A 18 -0.882 -2.631 -3.045 1.00 52.14 C ATOM 267 CG2 VAL A 18 -0.296 -4.854 -2.021 1.00 24.42 C ATOM 0 H VAL A 18 -0.792 -3.135 -5.940 1.00 2.14 H new ATOM 0 HA VAL A 18 0.589 -5.346 -4.634 1.00 40.21 H new ATOM 0 HB VAL A 18 1.038 -3.553 -3.069 1.00 50.52 H new ATOM 0 HG11 VAL A 18 -0.741 -2.171 -2.067 1.00 52.14 H new ATOM 0 HG12 VAL A 18 -0.607 -1.919 -3.823 1.00 52.14 H new ATOM 0 HG13 VAL A 18 -1.928 -2.914 -3.166 1.00 52.14 H new ATOM 0 HG21 VAL A 18 -0.173 -4.348 -1.063 1.00 24.42 H new ATOM 0 HG22 VAL A 18 -1.320 -5.217 -2.111 1.00 24.42 H new ATOM 0 HG23 VAL A 18 0.394 -5.696 -2.078 1.00 24.42 H new ATOM 277 N ARG A 19 -1.597 -6.544 -4.718 1.00 21.32 N ATOM 278 CA ARG A 19 -2.868 -7.280 -4.777 1.00 51.35 C ATOM 279 C ARG A 19 -3.581 -7.316 -3.410 1.00 71.51 C ATOM 280 O ARG A 19 -3.134 -7.989 -2.479 1.00 42.50 O ATOM 281 CB ARG A 19 -2.641 -8.713 -5.285 1.00 53.14 C ATOM 282 CG ARG A 19 -2.051 -8.787 -6.691 1.00 64.33 C ATOM 283 CD ARG A 19 -1.995 -10.222 -7.207 1.00 23.21 C ATOM 284 NE ARG A 19 -3.327 -10.814 -7.324 1.00 41.04 N ATOM 285 CZ ARG A 19 -3.573 -11.999 -7.815 1.00 44.33 C ATOM 286 NH1 ARG A 19 -2.613 -12.760 -8.233 1.00 44.14 N ATOM 287 NH2 ARG A 19 -4.790 -12.417 -7.890 1.00 71.43 N ATOM 0 H ARG A 19 -0.766 -7.135 -4.755 1.00 21.32 H new ATOM 0 HA ARG A 19 -3.513 -6.747 -5.476 1.00 51.35 H new ATOM 0 HB2 ARG A 19 -1.975 -9.231 -4.595 1.00 53.14 H new ATOM 0 HB3 ARG A 19 -3.591 -9.247 -5.272 1.00 53.14 H new ATOM 0 HG2 ARG A 19 -2.651 -8.180 -7.369 1.00 64.33 H new ATOM 0 HG3 ARG A 19 -1.047 -8.363 -6.687 1.00 64.33 H new ATOM 0 HD2 ARG A 19 -1.504 -10.239 -8.180 1.00 23.21 H new ATOM 0 HD3 ARG A 19 -1.388 -10.826 -6.533 1.00 23.21 H new ATOM 0 HE ARG A 19 -4.121 -10.262 -6.999 1.00 41.04 H new ATOM 0 HH11 ARG A 19 -1.647 -12.437 -8.182 1.00 44.14 H new ATOM 0 HH12 ARG A 19 -2.823 -13.683 -8.614 1.00 44.14 H new ATOM 0 HH21 ARG A 19 -5.554 -11.823 -7.567 1.00 71.43 H new ATOM 0 HH22 ARG A 19 -4.989 -13.341 -8.272 1.00 71.43 H new ATOM 301 N LEU A 20 -4.698 -6.598 -3.307 1.00 43.43 N ATOM 302 CA LEU A 20 -5.485 -6.541 -2.068 1.00 65.21 C ATOM 303 C LEU A 20 -6.686 -7.509 -2.117 1.00 35.52 C ATOM 304 O LEU A 20 -7.159 -7.882 -3.193 1.00 14.10 O ATOM 305 CB LEU A 20 -5.961 -5.098 -1.815 1.00 62.42 C ATOM 306 CG LEU A 20 -6.713 -4.858 -0.490 1.00 20.31 C ATOM 307 CD1 LEU A 20 -5.883 -5.314 0.708 1.00 52.44 C ATOM 308 CD2 LEU A 20 -7.092 -3.384 -0.348 1.00 2.33 C ATOM 0 H LEU A 20 -5.084 -6.043 -4.071 1.00 43.43 H new ATOM 0 HA LEU A 20 -4.845 -6.855 -1.243 1.00 65.21 H new ATOM 0 HB2 LEU A 20 -5.093 -4.440 -1.841 1.00 62.42 H new ATOM 0 HB3 LEU A 20 -6.611 -4.801 -2.638 1.00 62.42 H new ATOM 0 HG LEU A 20 -7.626 -5.453 -0.511 1.00 20.31 H new ATOM 0 HD11 LEU A 20 -6.440 -5.132 1.627 1.00 52.44 H new ATOM 0 HD12 LEU A 20 -5.669 -6.379 0.618 1.00 52.44 H new ATOM 0 HD13 LEU A 20 -4.946 -4.757 0.735 1.00 52.44 H new ATOM 0 HD21 LEU A 20 -7.622 -3.234 0.593 1.00 2.33 H new ATOM 0 HD22 LEU A 20 -6.189 -2.774 -0.358 1.00 2.33 H new ATOM 0 HD23 LEU A 20 -7.736 -3.092 -1.178 1.00 2.33 H new ATOM 320 N TYR A 21 -7.169 -7.914 -0.943 1.00 65.24 N ATOM 321 CA TYR A 21 -8.274 -8.876 -0.833 1.00 12.34 C ATOM 322 C TYR A 21 -9.605 -8.279 -1.337 1.00 42.23 C ATOM 323 O TYR A 21 -10.027 -7.215 -0.885 1.00 62.35 O ATOM 324 CB TYR A 21 -8.408 -9.332 0.623 1.00 74.52 C ATOM 325 CG TYR A 21 -7.113 -9.883 1.198 1.00 75.54 C ATOM 326 CD1 TYR A 21 -6.789 -11.231 1.082 1.00 15.35 C ATOM 327 CD2 TYR A 21 -6.212 -9.050 1.859 1.00 34.14 C ATOM 328 CE1 TYR A 21 -5.609 -11.730 1.599 1.00 14.30 C ATOM 329 CE2 TYR A 21 -5.029 -9.545 2.375 1.00 62.01 C ATOM 330 CZ TYR A 21 -4.735 -10.884 2.247 1.00 32.23 C ATOM 331 OH TYR A 21 -3.559 -11.380 2.762 1.00 23.35 O ATOM 0 H TYR A 21 -6.811 -7.589 -0.045 1.00 65.24 H new ATOM 0 HA TYR A 21 -8.046 -9.733 -1.466 1.00 12.34 H new ATOM 0 HB2 TYR A 21 -8.740 -8.491 1.232 1.00 74.52 H new ATOM 0 HB3 TYR A 21 -9.182 -10.097 0.688 1.00 74.52 H new ATOM 0 HD1 TYR A 21 -7.472 -11.899 0.579 1.00 15.35 H new ATOM 0 HD2 TYR A 21 -6.442 -8.001 1.970 1.00 34.14 H new ATOM 0 HE1 TYR A 21 -5.372 -12.779 1.496 1.00 14.30 H new ATOM 0 HE2 TYR A 21 -4.338 -8.884 2.877 1.00 62.01 H new ATOM 0 HH TYR A 21 -3.056 -10.654 3.186 1.00 23.35 H new ATOM 341 N PRO A 22 -10.304 -8.992 -2.245 1.00 31.42 N ATOM 342 CA PRO A 22 -11.463 -8.445 -2.991 1.00 62.24 C ATOM 343 C PRO A 22 -12.628 -7.966 -2.098 1.00 13.11 C ATOM 344 O PRO A 22 -12.937 -6.775 -2.050 1.00 41.40 O ATOM 345 CB PRO A 22 -11.904 -9.625 -3.877 1.00 5.11 C ATOM 346 CG PRO A 22 -11.344 -10.838 -3.214 1.00 71.24 C ATOM 347 CD PRO A 22 -10.042 -10.399 -2.604 1.00 43.31 C ATOM 0 HA PRO A 22 -11.181 -7.548 -3.542 1.00 62.24 H new ATOM 0 HB2 PRO A 22 -12.990 -9.680 -3.948 1.00 5.11 H new ATOM 0 HB3 PRO A 22 -11.523 -9.519 -4.893 1.00 5.11 H new ATOM 0 HG2 PRO A 22 -12.025 -11.219 -2.453 1.00 71.24 H new ATOM 0 HG3 PRO A 22 -11.189 -11.642 -3.934 1.00 71.24 H new ATOM 0 HD2 PRO A 22 -9.783 -10.997 -1.730 1.00 43.31 H new ATOM 0 HD3 PRO A 22 -9.215 -10.489 -3.308 1.00 43.31 H new ATOM 355 N ASP A 23 -13.277 -8.895 -1.398 1.00 43.33 N ATOM 356 CA ASP A 23 -14.431 -8.559 -0.556 1.00 12.51 C ATOM 357 C ASP A 23 -14.061 -7.590 0.579 1.00 3.23 C ATOM 358 O ASP A 23 -14.908 -6.839 1.066 1.00 54.21 O ATOM 359 CB ASP A 23 -15.051 -9.836 0.008 1.00 33.12 C ATOM 360 CG ASP A 23 -15.612 -10.716 -1.092 1.00 42.33 C ATOM 361 OD1 ASP A 23 -14.837 -11.487 -1.699 1.00 42.14 O ATOM 362 OD2 ASP A 23 -16.829 -10.632 -1.369 1.00 31.52 O ATOM 0 H ASP A 23 -13.027 -9.884 -1.395 1.00 43.33 H new ATOM 0 HA ASP A 23 -15.161 -8.048 -1.183 1.00 12.51 H new ATOM 0 HB2 ASP A 23 -14.298 -10.390 0.570 1.00 33.12 H new ATOM 0 HB3 ASP A 23 -15.845 -9.577 0.709 1.00 33.12 H new ATOM 367 N GLU A 24 -12.798 -7.594 0.994 1.00 74.54 N ATOM 368 CA GLU A 24 -12.340 -6.663 2.027 1.00 55.30 C ATOM 369 C GLU A 24 -12.228 -5.233 1.472 1.00 70.10 C ATOM 370 O GLU A 24 -12.374 -4.259 2.214 1.00 62.34 O ATOM 371 CB GLU A 24 -11.017 -7.143 2.638 1.00 64.21 C ATOM 372 CG GLU A 24 -11.138 -8.524 3.285 1.00 34.33 C ATOM 373 CD GLU A 24 -9.967 -8.881 4.187 1.00 14.53 C ATOM 374 OE1 GLU A 24 -9.896 -8.344 5.312 1.00 23.33 O ATOM 375 OE2 GLU A 24 -9.133 -9.722 3.791 1.00 42.03 O ATOM 0 H GLU A 24 -12.078 -8.223 0.637 1.00 74.54 H new ATOM 0 HA GLU A 24 -13.083 -6.640 2.824 1.00 55.30 H new ATOM 0 HB2 GLU A 24 -10.252 -7.175 1.862 1.00 64.21 H new ATOM 0 HB3 GLU A 24 -10.683 -6.423 3.385 1.00 64.21 H new ATOM 0 HG2 GLU A 24 -12.059 -8.563 3.867 1.00 34.33 H new ATOM 0 HG3 GLU A 24 -11.224 -9.276 2.501 1.00 34.33 H new ATOM 382 N ILE A 25 -11.998 -5.111 0.162 1.00 24.02 N ATOM 383 CA ILE A 25 -12.071 -3.811 -0.517 1.00 64.40 C ATOM 384 C ILE A 25 -13.509 -3.262 -0.477 1.00 52.11 C ATOM 385 O ILE A 25 -13.724 -2.056 -0.356 1.00 43.25 O ATOM 386 CB ILE A 25 -11.602 -3.908 -1.996 1.00 53.11 C ATOM 387 CG1 ILE A 25 -10.137 -4.368 -2.065 1.00 61.44 C ATOM 388 CG2 ILE A 25 -11.782 -2.567 -2.715 1.00 34.02 C ATOM 389 CD1 ILE A 25 -9.628 -4.603 -3.475 1.00 71.15 C ATOM 0 H ILE A 25 -11.760 -5.892 -0.449 1.00 24.02 H new ATOM 0 HA ILE A 25 -11.403 -3.133 0.014 1.00 64.40 H new ATOM 0 HB ILE A 25 -12.221 -4.648 -2.503 1.00 53.11 H new ATOM 0 HG12 ILE A 25 -9.509 -3.619 -1.584 1.00 61.44 H new ATOM 0 HG13 ILE A 25 -10.029 -5.289 -1.493 1.00 61.44 H new ATOM 0 HG21 ILE A 25 -11.447 -2.660 -3.748 1.00 34.02 H new ATOM 0 HG22 ILE A 25 -12.834 -2.284 -2.699 1.00 34.02 H new ATOM 0 HG23 ILE A 25 -11.193 -1.801 -2.210 1.00 34.02 H new ATOM 0 HD11 ILE A 25 -8.587 -4.925 -3.437 1.00 71.15 H new ATOM 0 HD12 ILE A 25 -10.230 -5.375 -3.955 1.00 71.15 H new ATOM 0 HD13 ILE A 25 -9.701 -3.678 -4.047 1.00 71.15 H new ATOM 401 N GLU A 26 -14.489 -4.168 -0.573 1.00 52.32 N ATOM 402 CA GLU A 26 -15.913 -3.808 -0.477 1.00 55.11 C ATOM 403 C GLU A 26 -16.219 -3.108 0.858 1.00 1.50 C ATOM 404 O GLU A 26 -16.779 -2.009 0.886 1.00 64.32 O ATOM 405 CB GLU A 26 -16.781 -5.069 -0.618 1.00 74.32 C ATOM 406 CG GLU A 26 -18.280 -4.814 -0.486 1.00 30.32 C ATOM 407 CD GLU A 26 -19.102 -6.096 -0.525 1.00 20.25 C ATOM 408 OE1 GLU A 26 -19.402 -6.582 -1.638 1.00 65.21 O ATOM 409 OE2 GLU A 26 -19.455 -6.621 0.551 1.00 21.32 O ATOM 0 H GLU A 26 -14.322 -5.164 -0.718 1.00 52.32 H new ATOM 0 HA GLU A 26 -16.145 -3.115 -1.285 1.00 55.11 H new ATOM 0 HB2 GLU A 26 -16.585 -5.525 -1.589 1.00 74.32 H new ATOM 0 HB3 GLU A 26 -16.478 -5.791 0.140 1.00 74.32 H new ATOM 0 HG2 GLU A 26 -18.474 -4.292 0.451 1.00 30.32 H new ATOM 0 HG3 GLU A 26 -18.604 -4.155 -1.291 1.00 30.32 H new ATOM 416 N ALA A 27 -15.844 -3.754 1.959 1.00 70.14 N ATOM 417 CA ALA A 27 -16.017 -3.176 3.295 1.00 65.33 C ATOM 418 C ALA A 27 -15.252 -1.850 3.441 1.00 73.33 C ATOM 419 O ALA A 27 -15.744 -0.896 4.044 1.00 52.40 O ATOM 420 CB ALA A 27 -15.560 -4.171 4.356 1.00 42.44 C ATOM 0 H ALA A 27 -15.417 -4.680 1.955 1.00 70.14 H new ATOM 0 HA ALA A 27 -17.077 -2.962 3.435 1.00 65.33 H new ATOM 0 HB1 ALA A 27 -15.692 -3.734 5.346 1.00 42.44 H new ATOM 0 HB2 ALA A 27 -16.153 -5.082 4.280 1.00 42.44 H new ATOM 0 HB3 ALA A 27 -14.508 -4.409 4.202 1.00 42.44 H new ATOM 426 N LEU A 28 -14.048 -1.796 2.874 1.00 13.44 N ATOM 427 CA LEU A 28 -13.205 -0.597 2.949 1.00 22.30 C ATOM 428 C LEU A 28 -13.841 0.601 2.216 1.00 3.14 C ATOM 429 O LEU A 28 -13.994 1.681 2.791 1.00 65.42 O ATOM 430 CB LEU A 28 -11.817 -0.895 2.367 1.00 12.13 C ATOM 431 CG LEU A 28 -10.784 0.239 2.505 1.00 45.55 C ATOM 432 CD1 LEU A 28 -10.544 0.584 3.976 1.00 2.44 C ATOM 433 CD2 LEU A 28 -9.477 -0.142 1.813 1.00 2.12 C ATOM 0 H LEU A 28 -13.631 -2.569 2.356 1.00 13.44 H new ATOM 0 HA LEU A 28 -13.110 -0.325 4.000 1.00 22.30 H new ATOM 0 HB2 LEU A 28 -11.421 -1.785 2.855 1.00 12.13 H new ATOM 0 HB3 LEU A 28 -11.929 -1.134 1.310 1.00 12.13 H new ATOM 0 HG LEU A 28 -11.184 1.127 2.016 1.00 45.55 H new ATOM 0 HD11 LEU A 28 -9.811 1.387 4.046 1.00 2.44 H new ATOM 0 HD12 LEU A 28 -11.480 0.906 4.432 1.00 2.44 H new ATOM 0 HD13 LEU A 28 -10.170 -0.296 4.500 1.00 2.44 H new ATOM 0 HD21 LEU A 28 -8.758 0.670 1.920 1.00 2.12 H new ATOM 0 HD22 LEU A 28 -9.074 -1.046 2.270 1.00 2.12 H new ATOM 0 HD23 LEU A 28 -9.665 -0.323 0.755 1.00 2.12 H new ATOM 445 N LYS A 29 -14.226 0.403 0.953 1.00 63.01 N ATOM 446 CA LYS A 29 -14.811 1.486 0.142 1.00 14.33 C ATOM 447 C LYS A 29 -16.139 1.991 0.733 1.00 32.41 C ATOM 448 O LYS A 29 -16.633 3.055 0.355 1.00 44.43 O ATOM 449 CB LYS A 29 -15.028 1.029 -1.311 1.00 43.41 C ATOM 450 CG LYS A 29 -16.039 -0.105 -1.465 1.00 55.22 C ATOM 451 CD LYS A 29 -16.290 -0.458 -2.933 1.00 64.21 C ATOM 452 CE LYS A 29 -15.011 -0.893 -3.642 1.00 41.12 C ATOM 453 NZ LYS A 29 -15.246 -1.207 -5.075 1.00 54.14 N ATOM 0 H LYS A 29 -14.146 -0.490 0.467 1.00 63.01 H new ATOM 0 HA LYS A 29 -14.099 2.311 0.154 1.00 14.33 H new ATOM 0 HB2 LYS A 29 -15.362 1.882 -1.902 1.00 43.41 H new ATOM 0 HB3 LYS A 29 -14.073 0.708 -1.726 1.00 43.41 H new ATOM 0 HG2 LYS A 29 -15.676 -0.987 -0.937 1.00 55.22 H new ATOM 0 HG3 LYS A 29 -16.980 0.183 -0.996 1.00 55.22 H new ATOM 0 HD2 LYS A 29 -17.028 -1.258 -2.993 1.00 64.21 H new ATOM 0 HD3 LYS A 29 -16.714 0.405 -3.446 1.00 64.21 H new ATOM 0 HE2 LYS A 29 -14.266 -0.102 -3.562 1.00 41.12 H new ATOM 0 HE3 LYS A 29 -14.600 -1.770 -3.142 1.00 41.12 H new ATOM 0 HZ1 LYS A 29 -14.351 -1.498 -5.518 1.00 54.14 H new ATOM 0 HZ2 LYS A 29 -15.938 -1.980 -5.152 1.00 54.14 H new ATOM 0 HZ3 LYS A 29 -15.614 -0.363 -5.559 1.00 54.14 H new ATOM 467 N SER A 30 -16.710 1.222 1.655 1.00 2.40 N ATOM 468 CA SER A 30 -17.956 1.604 2.338 1.00 3.31 C ATOM 469 C SER A 30 -17.757 2.812 3.270 1.00 44.32 C ATOM 470 O SER A 30 -18.726 3.419 3.728 1.00 61.23 O ATOM 471 CB SER A 30 -18.497 0.413 3.144 1.00 74.42 C ATOM 472 OG SER A 30 -19.666 0.754 3.881 1.00 4.43 O ATOM 0 H SER A 30 -16.331 0.323 1.953 1.00 2.40 H new ATOM 0 HA SER A 30 -18.675 1.892 1.571 1.00 3.31 H new ATOM 0 HB2 SER A 30 -18.723 -0.410 2.466 1.00 74.42 H new ATOM 0 HB3 SER A 30 -17.727 0.059 3.829 1.00 74.42 H new ATOM 0 HG SER A 30 -19.708 1.726 3.996 1.00 4.43 H new ATOM 478 N ARG A 31 -16.501 3.164 3.545 1.00 42.35 N ATOM 479 CA ARG A 31 -16.194 4.261 4.476 1.00 73.02 C ATOM 480 C ARG A 31 -15.030 5.147 3.979 1.00 33.20 C ATOM 481 O ARG A 31 -14.340 5.782 4.777 1.00 10.02 O ATOM 482 CB ARG A 31 -15.866 3.670 5.857 1.00 22.30 C ATOM 483 CG ARG A 31 -14.644 2.759 5.856 1.00 70.40 C ATOM 484 CD ARG A 31 -14.401 2.126 7.220 1.00 23.44 C ATOM 485 NE ARG A 31 -13.099 1.471 7.286 1.00 53.44 N ATOM 486 CZ ARG A 31 -12.797 0.505 8.108 1.00 2.34 C ATOM 487 NH1 ARG A 31 -13.676 0.019 8.926 1.00 25.31 N ATOM 488 NH2 ARG A 31 -11.599 0.029 8.123 1.00 30.33 N ATOM 0 H ARG A 31 -15.681 2.711 3.141 1.00 42.35 H new ATOM 0 HA ARG A 31 -17.071 4.905 4.541 1.00 73.02 H new ATOM 0 HB2 ARG A 31 -15.701 4.485 6.562 1.00 22.30 H new ATOM 0 HB3 ARG A 31 -16.728 3.108 6.216 1.00 22.30 H new ATOM 0 HG2 ARG A 31 -14.778 1.974 5.111 1.00 70.40 H new ATOM 0 HG3 ARG A 31 -13.765 3.332 5.561 1.00 70.40 H new ATOM 0 HD2 ARG A 31 -14.463 2.892 7.993 1.00 23.44 H new ATOM 0 HD3 ARG A 31 -15.185 1.399 7.429 1.00 23.44 H new ATOM 0 HE ARG A 31 -12.374 1.791 6.644 1.00 53.44 H new ATOM 0 HH11 ARG A 31 -14.625 0.392 8.935 1.00 25.31 H new ATOM 0 HH12 ARG A 31 -13.419 -0.737 9.561 1.00 25.31 H new ATOM 0 HH21 ARG A 31 -10.892 0.408 7.493 1.00 30.33 H new ATOM 0 HH22 ARG A 31 -11.358 -0.727 8.764 1.00 30.33 H new ATOM 502 N VAL A 32 -14.832 5.212 2.661 1.00 40.50 N ATOM 503 CA VAL A 32 -13.764 6.049 2.079 1.00 44.31 C ATOM 504 C VAL A 32 -14.307 7.399 1.564 1.00 31.33 C ATOM 505 O VAL A 32 -15.495 7.521 1.241 1.00 22.51 O ATOM 506 CB VAL A 32 -13.037 5.325 0.914 1.00 25.44 C ATOM 507 CG1 VAL A 32 -12.342 4.056 1.408 1.00 33.32 C ATOM 508 CG2 VAL A 32 -14.005 5.015 -0.229 1.00 21.22 C ATOM 0 H VAL A 32 -15.389 4.702 1.975 1.00 40.50 H new ATOM 0 HA VAL A 32 -13.055 6.234 2.886 1.00 44.31 H new ATOM 0 HB VAL A 32 -12.270 5.996 0.527 1.00 25.44 H new ATOM 0 HG11 VAL A 32 -11.840 3.567 0.573 1.00 33.32 H new ATOM 0 HG12 VAL A 32 -11.608 4.317 2.170 1.00 33.32 H new ATOM 0 HG13 VAL A 32 -13.082 3.378 1.834 1.00 33.32 H new ATOM 0 HG21 VAL A 32 -13.470 4.508 -1.032 1.00 21.22 H new ATOM 0 HG22 VAL A 32 -14.805 4.372 0.136 1.00 21.22 H new ATOM 0 HG23 VAL A 32 -14.431 5.944 -0.607 1.00 21.22 H new ATOM 518 N PRO A 33 -13.442 8.435 1.484 1.00 34.42 N ATOM 519 CA PRO A 33 -13.828 9.759 0.952 1.00 52.41 C ATOM 520 C PRO A 33 -14.071 9.752 -0.573 1.00 74.02 C ATOM 521 O PRO A 33 -13.649 8.838 -1.285 1.00 13.03 O ATOM 522 CB PRO A 33 -12.626 10.645 1.310 1.00 63.44 C ATOM 523 CG PRO A 33 -11.472 9.703 1.394 1.00 54.54 C ATOM 524 CD PRO A 33 -12.029 8.407 1.918 1.00 71.12 C ATOM 0 HA PRO A 33 -14.773 10.103 1.372 1.00 52.41 H new ATOM 0 HB2 PRO A 33 -12.458 11.410 0.552 1.00 63.44 H new ATOM 0 HB3 PRO A 33 -12.784 11.163 2.256 1.00 63.44 H new ATOM 0 HG2 PRO A 33 -11.012 9.562 0.416 1.00 54.54 H new ATOM 0 HG3 PRO A 33 -10.699 10.092 2.057 1.00 54.54 H new ATOM 0 HD2 PRO A 33 -11.500 7.548 1.506 1.00 71.12 H new ATOM 0 HD3 PRO A 33 -11.944 8.344 3.003 1.00 71.12 H new ATOM 532 N ALA A 34 -14.743 10.792 -1.066 1.00 0.22 N ATOM 533 CA ALA A 34 -15.146 10.872 -2.476 1.00 72.42 C ATOM 534 C ALA A 34 -14.014 11.356 -3.400 1.00 34.33 C ATOM 535 O ALA A 34 -13.832 10.829 -4.498 1.00 31.11 O ATOM 536 CB ALA A 34 -16.360 11.786 -2.615 1.00 60.20 C ATOM 0 H ALA A 34 -15.023 11.598 -0.507 1.00 0.22 H new ATOM 0 HA ALA A 34 -15.398 9.860 -2.793 1.00 72.42 H new ATOM 0 HB1 ALA A 34 -16.655 11.842 -3.663 1.00 60.20 H new ATOM 0 HB2 ALA A 34 -17.186 11.386 -2.026 1.00 60.20 H new ATOM 0 HB3 ALA A 34 -16.108 12.783 -2.255 1.00 60.20 H new ATOM 542 N ASN A 35 -13.253 12.358 -2.958 1.00 75.40 N ATOM 543 CA ASN A 35 -12.205 12.962 -3.801 1.00 22.25 C ATOM 544 C ASN A 35 -10.844 12.263 -3.631 1.00 20.25 C ATOM 545 O ASN A 35 -9.800 12.833 -3.964 1.00 12.05 O ATOM 546 CB ASN A 35 -12.064 14.457 -3.479 1.00 21.12 C ATOM 547 CG ASN A 35 -13.356 15.218 -3.695 1.00 4.34 C ATOM 548 OD1 ASN A 35 -13.637 15.698 -4.789 1.00 53.41 O ATOM 549 ND2 ASN A 35 -14.148 15.347 -2.652 1.00 62.22 N ATOM 0 H ASN A 35 -13.337 12.770 -2.029 1.00 75.40 H new ATOM 0 HA ASN A 35 -12.513 12.834 -4.839 1.00 22.25 H new ATOM 0 HB2 ASN A 35 -11.745 14.574 -2.443 1.00 21.12 H new ATOM 0 HB3 ASN A 35 -11.282 14.889 -4.104 1.00 21.12 H new ATOM 0 HD21 ASN A 35 -15.026 15.859 -2.739 1.00 62.22 H new ATOM 0 HD22 ASN A 35 -13.884 14.935 -1.757 1.00 62.22 H new ATOM 556 N THR A 36 -10.857 11.026 -3.136 1.00 21.11 N ATOM 557 CA THR A 36 -9.617 10.266 -2.902 1.00 35.20 C ATOM 558 C THR A 36 -9.697 8.857 -3.497 1.00 41.10 C ATOM 559 O THR A 36 -10.573 8.070 -3.138 1.00 13.23 O ATOM 560 CB THR A 36 -9.296 10.148 -1.390 1.00 21.31 C ATOM 561 OG1 THR A 36 -9.205 11.453 -0.797 1.00 42.15 O ATOM 562 CG2 THR A 36 -7.989 9.397 -1.157 1.00 55.05 C ATOM 0 H THR A 36 -11.709 10.524 -2.887 1.00 21.11 H new ATOM 0 HA THR A 36 -8.821 10.822 -3.398 1.00 35.20 H new ATOM 0 HB THR A 36 -10.107 9.588 -0.924 1.00 21.31 H new ATOM 0 HG1 THR A 36 -9.004 11.365 0.158 1.00 42.15 H new ATOM 0 HG21 THR A 36 -7.793 9.332 -0.087 1.00 55.05 H new ATOM 0 HG22 THR A 36 -8.067 8.393 -1.574 1.00 55.05 H new ATOM 0 HG23 THR A 36 -7.172 9.929 -1.644 1.00 55.05 H new ATOM 570 N SER A 37 -8.782 8.545 -4.409 1.00 30.50 N ATOM 571 CA SER A 37 -8.709 7.206 -5.010 1.00 45.24 C ATOM 572 C SER A 37 -7.994 6.225 -4.076 1.00 30.44 C ATOM 573 O SER A 37 -7.341 6.630 -3.112 1.00 65.44 O ATOM 574 CB SER A 37 -7.957 7.263 -6.342 1.00 22.31 C ATOM 575 OG SER A 37 -6.600 7.634 -6.143 1.00 15.41 O ATOM 0 H SER A 37 -8.077 9.198 -4.752 1.00 30.50 H new ATOM 0 HA SER A 37 -9.729 6.860 -5.177 1.00 45.24 H new ATOM 0 HB2 SER A 37 -8.004 6.291 -6.833 1.00 22.31 H new ATOM 0 HB3 SER A 37 -8.440 7.979 -7.007 1.00 22.31 H new ATOM 0 HG SER A 37 -6.139 7.662 -7.007 1.00 15.41 H new ATOM 581 N MET A 38 -8.101 4.933 -4.373 1.00 12.23 N ATOM 582 CA MET A 38 -7.409 3.908 -3.590 1.00 32.02 C ATOM 583 C MET A 38 -5.885 4.113 -3.638 1.00 32.34 C ATOM 584 O MET A 38 -5.175 3.772 -2.697 1.00 11.31 O ATOM 585 CB MET A 38 -7.778 2.506 -4.094 1.00 51.13 C ATOM 586 CG MET A 38 -9.266 2.186 -3.973 1.00 63.32 C ATOM 587 SD MET A 38 -9.674 0.521 -4.535 1.00 4.21 S ATOM 588 CE MET A 38 -8.723 -0.478 -3.389 1.00 64.14 C ATOM 0 H MET A 38 -8.657 4.570 -5.147 1.00 12.23 H new ATOM 0 HA MET A 38 -7.731 4.001 -2.553 1.00 32.02 H new ATOM 0 HB2 MET A 38 -7.479 2.414 -5.138 1.00 51.13 H new ATOM 0 HB3 MET A 38 -7.209 1.765 -3.532 1.00 51.13 H new ATOM 0 HG2 MET A 38 -9.573 2.299 -2.933 1.00 63.32 H new ATOM 0 HG3 MET A 38 -9.837 2.910 -4.554 1.00 63.32 H new ATOM 0 HE1 MET A 38 -9.191 -1.457 -3.285 1.00 64.14 H new ATOM 0 HE2 MET A 38 -7.708 -0.600 -3.768 1.00 64.14 H new ATOM 0 HE3 MET A 38 -8.691 0.014 -2.417 1.00 64.14 H new ATOM 598 N SER A 39 -5.396 4.698 -4.735 1.00 41.21 N ATOM 599 CA SER A 39 -3.961 4.990 -4.897 1.00 13.24 C ATOM 600 C SER A 39 -3.466 5.980 -3.834 1.00 30.14 C ATOM 601 O SER A 39 -2.399 5.798 -3.244 1.00 20.43 O ATOM 602 CB SER A 39 -3.683 5.561 -6.296 1.00 12.23 C ATOM 603 OG SER A 39 -4.130 4.676 -7.315 1.00 14.14 O ATOM 0 H SER A 39 -5.971 4.981 -5.528 1.00 41.21 H new ATOM 0 HA SER A 39 -3.421 4.051 -4.773 1.00 13.24 H new ATOM 0 HB2 SER A 39 -4.182 6.524 -6.403 1.00 12.23 H new ATOM 0 HB3 SER A 39 -2.614 5.741 -6.411 1.00 12.23 H new ATOM 0 HG SER A 39 -3.772 3.779 -7.149 1.00 14.14 H new ATOM 609 N ALA A 40 -4.249 7.031 -3.600 1.00 63.34 N ATOM 610 CA ALA A 40 -3.914 8.043 -2.592 1.00 73.01 C ATOM 611 C ALA A 40 -4.238 7.553 -1.172 1.00 42.32 C ATOM 612 O ALA A 40 -3.487 7.806 -0.226 1.00 21.21 O ATOM 613 CB ALA A 40 -4.655 9.343 -2.893 1.00 30.30 C ATOM 0 H ALA A 40 -5.123 7.207 -4.095 1.00 63.34 H new ATOM 0 HA ALA A 40 -2.840 8.225 -2.638 1.00 73.01 H new ATOM 0 HB1 ALA A 40 -4.401 10.089 -2.140 1.00 30.30 H new ATOM 0 HB2 ALA A 40 -4.364 9.708 -3.878 1.00 30.30 H new ATOM 0 HB3 ALA A 40 -5.730 9.162 -2.876 1.00 30.30 H new ATOM 619 N TYR A 41 -5.356 6.838 -1.036 1.00 20.23 N ATOM 620 CA TYR A 41 -5.790 6.304 0.261 1.00 60.35 C ATOM 621 C TYR A 41 -4.783 5.283 0.821 1.00 20.21 C ATOM 622 O TYR A 41 -4.261 5.452 1.925 1.00 44.55 O ATOM 623 CB TYR A 41 -7.179 5.662 0.125 1.00 71.13 C ATOM 624 CG TYR A 41 -7.709 5.079 1.421 1.00 22.12 C ATOM 625 CD1 TYR A 41 -8.243 5.902 2.406 1.00 54.13 C ATOM 626 CD2 TYR A 41 -7.661 3.711 1.664 1.00 51.43 C ATOM 627 CE1 TYR A 41 -8.714 5.379 3.593 1.00 2.33 C ATOM 628 CE2 TYR A 41 -8.127 3.184 2.851 1.00 53.15 C ATOM 629 CZ TYR A 41 -8.652 4.022 3.810 1.00 24.14 C ATOM 630 OH TYR A 41 -9.110 3.499 4.994 1.00 44.13 O ATOM 0 H TYR A 41 -5.981 6.613 -1.810 1.00 20.23 H new ATOM 0 HA TYR A 41 -5.843 7.134 0.965 1.00 60.35 H new ATOM 0 HB2 TYR A 41 -7.882 6.411 -0.241 1.00 71.13 H new ATOM 0 HB3 TYR A 41 -7.133 4.874 -0.626 1.00 71.13 H new ATOM 0 HD1 TYR A 41 -8.290 6.968 2.240 1.00 54.13 H new ATOM 0 HD2 TYR A 41 -7.253 3.051 0.913 1.00 51.43 H new ATOM 0 HE1 TYR A 41 -9.129 6.031 4.347 1.00 2.33 H new ATOM 0 HE2 TYR A 41 -8.080 2.120 3.027 1.00 53.15 H new ATOM 0 HH TYR A 41 -8.513 2.779 5.286 1.00 44.13 H new ATOM 640 N ILE A 42 -4.510 4.225 0.056 1.00 74.32 N ATOM 641 CA ILE A 42 -3.546 3.198 0.472 1.00 64.25 C ATOM 642 C ILE A 42 -2.157 3.814 0.725 1.00 55.43 C ATOM 643 O ILE A 42 -1.402 3.343 1.581 1.00 21.00 O ATOM 644 CB ILE A 42 -3.430 2.061 -0.585 1.00 13.11 C ATOM 645 CG1 ILE A 42 -4.796 1.382 -0.803 1.00 4.33 C ATOM 646 CG2 ILE A 42 -2.377 1.026 -0.171 1.00 75.11 C ATOM 647 CD1 ILE A 42 -5.369 0.727 0.439 1.00 64.21 C ATOM 0 H ILE A 42 -4.940 4.054 -0.853 1.00 74.32 H new ATOM 0 HA ILE A 42 -3.919 2.768 1.402 1.00 64.25 H new ATOM 0 HB ILE A 42 -3.111 2.510 -1.526 1.00 13.11 H new ATOM 0 HG12 ILE A 42 -5.505 2.125 -1.168 1.00 4.33 H new ATOM 0 HG13 ILE A 42 -4.694 0.628 -1.584 1.00 4.33 H new ATOM 0 HG21 ILE A 42 -2.318 0.244 -0.928 1.00 75.11 H new ATOM 0 HG22 ILE A 42 -1.406 1.513 -0.076 1.00 75.11 H new ATOM 0 HG23 ILE A 42 -2.657 0.585 0.785 1.00 75.11 H new ATOM 0 HD11 ILE A 42 -6.331 0.273 0.200 1.00 64.21 H new ATOM 0 HD12 ILE A 42 -4.683 -0.042 0.794 1.00 64.21 H new ATOM 0 HD13 ILE A 42 -5.506 1.479 1.216 1.00 64.21 H new ATOM 659 N ARG A 43 -1.840 4.886 -0.006 1.00 61.44 N ATOM 660 CA ARG A 43 -0.561 5.581 0.158 1.00 24.14 C ATOM 661 C ARG A 43 -0.379 6.107 1.588 1.00 53.33 C ATOM 662 O ARG A 43 0.689 5.952 2.176 1.00 23.35 O ATOM 663 CB ARG A 43 -0.423 6.735 -0.849 1.00 41.05 C ATOM 664 CG ARG A 43 0.917 7.466 -0.752 1.00 55.50 C ATOM 665 CD ARG A 43 1.130 8.454 -1.895 1.00 73.22 C ATOM 666 NE ARG A 43 0.214 9.590 -1.837 1.00 14.45 N ATOM 667 CZ ARG A 43 0.369 10.693 -2.520 1.00 63.30 C ATOM 668 NH1 ARG A 43 1.367 10.834 -3.342 1.00 23.01 N ATOM 669 NH2 ARG A 43 -0.481 11.656 -2.385 1.00 1.41 N ATOM 0 H ARG A 43 -2.450 5.291 -0.716 1.00 61.44 H new ATOM 0 HA ARG A 43 0.224 4.850 -0.037 1.00 24.14 H new ATOM 0 HB2 ARG A 43 -0.543 6.343 -1.859 1.00 41.05 H new ATOM 0 HB3 ARG A 43 -1.231 7.449 -0.686 1.00 41.05 H new ATOM 0 HG2 ARG A 43 0.968 7.998 0.198 1.00 55.50 H new ATOM 0 HG3 ARG A 43 1.726 6.736 -0.752 1.00 55.50 H new ATOM 0 HD2 ARG A 43 2.157 8.819 -1.868 1.00 73.22 H new ATOM 0 HD3 ARG A 43 1.001 7.937 -2.846 1.00 73.22 H new ATOM 0 HE ARG A 43 -0.598 9.518 -1.224 1.00 14.45 H new ATOM 0 HH11 ARG A 43 2.041 10.078 -3.460 1.00 23.01 H new ATOM 0 HH12 ARG A 43 1.475 11.701 -3.869 1.00 23.01 H new ATOM 0 HH21 ARG A 43 -1.270 11.554 -1.747 1.00 1.41 H new ATOM 0 HH22 ARG A 43 -0.363 12.519 -2.917 1.00 1.41 H new ATOM 683 N ARG A 44 -1.422 6.720 2.154 1.00 42.11 N ATOM 684 CA ARG A 44 -1.334 7.237 3.526 1.00 42.43 C ATOM 685 C ARG A 44 -1.143 6.082 4.525 1.00 73.52 C ATOM 686 O ARG A 44 -0.410 6.209 5.506 1.00 43.13 O ATOM 687 CB ARG A 44 -2.577 8.075 3.897 1.00 62.22 C ATOM 688 CG ARG A 44 -3.778 7.266 4.393 1.00 10.13 C ATOM 689 CD ARG A 44 -4.948 8.165 4.788 1.00 22.43 C ATOM 690 NE ARG A 44 -5.993 7.433 5.502 1.00 42.10 N ATOM 691 CZ ARG A 44 -7.206 7.885 5.701 1.00 41.40 C ATOM 692 NH1 ARG A 44 -7.568 9.039 5.230 1.00 21.23 N ATOM 693 NH2 ARG A 44 -8.055 7.178 6.378 1.00 0.23 N ATOM 0 H ARG A 44 -2.321 6.870 1.696 1.00 42.11 H new ATOM 0 HA ARG A 44 -0.465 7.893 3.578 1.00 42.43 H new ATOM 0 HB2 ARG A 44 -2.296 8.791 4.669 1.00 62.22 H new ATOM 0 HB3 ARG A 44 -2.882 8.651 3.024 1.00 62.22 H new ATOM 0 HG2 ARG A 44 -4.098 6.576 3.612 1.00 10.13 H new ATOM 0 HG3 ARG A 44 -3.480 6.662 5.250 1.00 10.13 H new ATOM 0 HD2 ARG A 44 -4.583 8.978 5.416 1.00 22.43 H new ATOM 0 HD3 ARG A 44 -5.373 8.620 3.893 1.00 22.43 H new ATOM 0 HE ARG A 44 -5.762 6.510 5.869 1.00 42.10 H new ATOM 0 HH11 ARG A 44 -6.905 9.604 4.699 1.00 21.23 H new ATOM 0 HH12 ARG A 44 -8.515 9.381 5.391 1.00 21.23 H new ATOM 0 HH21 ARG A 44 -7.778 6.271 6.755 1.00 0.23 H new ATOM 0 HH22 ARG A 44 -9.000 7.528 6.534 1.00 0.23 H new ATOM 707 N ILE A 45 -1.786 4.943 4.249 1.00 0.33 N ATOM 708 CA ILE A 45 -1.678 3.756 5.109 1.00 73.40 C ATOM 709 C ILE A 45 -0.222 3.273 5.206 1.00 34.11 C ATOM 710 O ILE A 45 0.346 3.176 6.299 1.00 34.41 O ATOM 711 CB ILE A 45 -2.562 2.592 4.589 1.00 51.32 C ATOM 712 CG1 ILE A 45 -4.030 3.036 4.463 1.00 35.13 C ATOM 713 CG2 ILE A 45 -2.446 1.373 5.506 1.00 21.35 C ATOM 714 CD1 ILE A 45 -4.949 1.957 3.927 1.00 3.23 C ATOM 0 H ILE A 45 -2.388 4.816 3.436 1.00 0.33 H new ATOM 0 HA ILE A 45 -2.029 4.052 6.098 1.00 73.40 H new ATOM 0 HB ILE A 45 -2.204 2.311 3.599 1.00 51.32 H new ATOM 0 HG12 ILE A 45 -4.389 3.354 5.442 1.00 35.13 H new ATOM 0 HG13 ILE A 45 -4.083 3.905 3.807 1.00 35.13 H new ATOM 0 HG21 ILE A 45 -3.074 0.569 5.123 1.00 21.35 H new ATOM 0 HG22 ILE A 45 -1.409 1.040 5.539 1.00 21.35 H new ATOM 0 HG23 ILE A 45 -2.773 1.641 6.511 1.00 21.35 H new ATOM 0 HD11 ILE A 45 -5.967 2.343 3.866 1.00 3.23 H new ATOM 0 HD12 ILE A 45 -4.615 1.655 2.934 1.00 3.23 H new ATOM 0 HD13 ILE A 45 -4.927 1.096 4.595 1.00 3.23 H new ATOM 726 N ILE A 46 0.378 2.972 4.054 1.00 14.32 N ATOM 727 CA ILE A 46 1.766 2.508 4.014 1.00 22.14 C ATOM 728 C ILE A 46 2.736 3.593 4.511 1.00 40.10 C ATOM 729 O ILE A 46 3.680 3.296 5.245 1.00 41.44 O ATOM 730 CB ILE A 46 2.186 2.039 2.593 1.00 30.31 C ATOM 731 CG1 ILE A 46 2.058 3.178 1.567 1.00 43.21 C ATOM 732 CG2 ILE A 46 1.344 0.838 2.166 1.00 63.43 C ATOM 733 CD1 ILE A 46 2.498 2.804 0.164 1.00 70.25 C ATOM 0 H ILE A 46 -0.072 3.040 3.141 1.00 14.32 H new ATOM 0 HA ILE A 46 1.822 1.651 4.685 1.00 22.14 H new ATOM 0 HB ILE A 46 3.234 1.742 2.630 1.00 30.31 H new ATOM 0 HG12 ILE A 46 1.019 3.507 1.534 1.00 43.21 H new ATOM 0 HG13 ILE A 46 2.651 4.027 1.907 1.00 43.21 H new ATOM 0 HG21 ILE A 46 1.647 0.518 1.169 1.00 63.43 H new ATOM 0 HG22 ILE A 46 1.493 0.020 2.871 1.00 63.43 H new ATOM 0 HG23 ILE A 46 0.291 1.118 2.153 1.00 63.43 H new ATOM 0 HD11 ILE A 46 2.376 3.662 -0.497 1.00 70.25 H new ATOM 0 HD12 ILE A 46 3.546 2.504 0.179 1.00 70.25 H new ATOM 0 HD13 ILE A 46 1.889 1.977 -0.200 1.00 70.25 H new ATOM 745 N LEU A 47 2.483 4.848 4.133 1.00 21.31 N ATOM 746 CA LEU A 47 3.332 5.974 4.545 1.00 43.22 C ATOM 747 C LEU A 47 3.451 6.054 6.077 1.00 22.43 C ATOM 748 O LEU A 47 4.552 6.171 6.618 1.00 61.01 O ATOM 749 CB LEU A 47 2.778 7.293 3.982 1.00 12.14 C ATOM 750 CG LEU A 47 3.646 8.539 4.227 1.00 30.24 C ATOM 751 CD1 LEU A 47 5.036 8.363 3.617 1.00 13.32 C ATOM 752 CD2 LEU A 47 2.961 9.781 3.662 1.00 71.22 C ATOM 0 H LEU A 47 1.696 5.113 3.541 1.00 21.31 H new ATOM 0 HA LEU A 47 4.330 5.808 4.140 1.00 43.22 H new ATOM 0 HB2 LEU A 47 2.636 7.177 2.908 1.00 12.14 H new ATOM 0 HB3 LEU A 47 1.794 7.467 4.416 1.00 12.14 H new ATOM 0 HG LEU A 47 3.766 8.668 5.303 1.00 30.24 H new ATOM 0 HD11 LEU A 47 5.631 9.257 3.803 1.00 13.32 H new ATOM 0 HD12 LEU A 47 5.525 7.501 4.070 1.00 13.32 H new ATOM 0 HD13 LEU A 47 4.944 8.206 2.542 1.00 13.32 H new ATOM 0 HD21 LEU A 47 3.586 10.655 3.842 1.00 71.22 H new ATOM 0 HD22 LEU A 47 2.811 9.657 2.589 1.00 71.22 H new ATOM 0 HD23 LEU A 47 1.996 9.918 4.150 1.00 71.22 H new ATOM 764 N ASN A 48 2.313 5.968 6.778 1.00 22.11 N ATOM 765 CA ASN A 48 2.319 5.947 8.248 1.00 20.44 C ATOM 766 C ASN A 48 3.147 4.772 8.790 1.00 44.14 C ATOM 767 O ASN A 48 3.820 4.897 9.810 1.00 20.32 O ATOM 768 CB ASN A 48 0.891 5.890 8.816 1.00 11.43 C ATOM 769 CG ASN A 48 0.232 7.259 8.881 1.00 10.42 C ATOM 770 OD1 ASN A 48 0.402 7.995 9.845 1.00 71.42 O ATOM 771 ND2 ASN A 48 -0.533 7.610 7.868 1.00 63.35 N ATOM 0 H ASN A 48 1.385 5.912 6.357 1.00 22.11 H new ATOM 0 HA ASN A 48 2.784 6.877 8.576 1.00 20.44 H new ATOM 0 HB2 ASN A 48 0.284 5.228 8.198 1.00 11.43 H new ATOM 0 HB3 ASN A 48 0.919 5.456 9.816 1.00 11.43 H new ATOM 0 HD21 ASN A 48 -1.002 8.516 7.873 1.00 63.35 H new ATOM 0 HD22 ASN A 48 -0.656 6.976 7.078 1.00 63.35 H new ATOM 778 N HIS A 49 3.104 3.634 8.099 1.00 54.10 N ATOM 779 CA HIS A 49 3.870 2.452 8.512 1.00 65.31 C ATOM 780 C HIS A 49 5.386 2.691 8.368 1.00 54.54 C ATOM 781 O HIS A 49 6.173 2.266 9.214 1.00 71.01 O ATOM 782 CB HIS A 49 3.439 1.228 7.688 1.00 23.11 C ATOM 783 CG HIS A 49 4.007 -0.076 8.174 1.00 20.13 C ATOM 784 ND1 HIS A 49 3.312 -0.944 8.988 1.00 44.32 N ATOM 785 CD2 HIS A 49 5.206 -0.664 7.948 1.00 41.15 C ATOM 786 CE1 HIS A 49 4.054 -2.003 9.240 1.00 61.32 C ATOM 787 NE2 HIS A 49 5.207 -1.860 8.620 1.00 75.54 N ATOM 0 H HIS A 49 2.550 3.502 7.253 1.00 54.10 H new ATOM 0 HA HIS A 49 3.661 2.262 9.565 1.00 65.31 H new ATOM 0 HB2 HIS A 49 2.351 1.163 7.698 1.00 23.11 H new ATOM 0 HB3 HIS A 49 3.740 1.378 6.651 1.00 23.11 H new ATOM 0 HD2 HIS A 49 6.012 -0.265 7.350 1.00 41.15 H new ATOM 0 HE1 HIS A 49 3.766 -2.845 9.851 1.00 61.32 H new ATOM 0 HE2 HIS A 49 5.976 -2.530 8.637 1.00 75.54 H new ATOM 796 N LEU A 50 5.788 3.375 7.296 1.00 42.00 N ATOM 797 CA LEU A 50 7.207 3.682 7.058 1.00 34.23 C ATOM 798 C LEU A 50 7.734 4.758 8.026 1.00 72.53 C ATOM 799 O LEU A 50 8.816 4.608 8.596 1.00 40.24 O ATOM 800 CB LEU A 50 7.436 4.119 5.601 1.00 15.30 C ATOM 801 CG LEU A 50 7.605 2.976 4.575 1.00 42.23 C ATOM 802 CD1 LEU A 50 8.836 2.133 4.899 1.00 20.23 C ATOM 803 CD2 LEU A 50 6.355 2.102 4.500 1.00 11.11 C ATOM 0 H LEU A 50 5.156 3.728 6.578 1.00 42.00 H new ATOM 0 HA LEU A 50 7.768 2.766 7.244 1.00 34.23 H new ATOM 0 HB2 LEU A 50 6.595 4.739 5.291 1.00 15.30 H new ATOM 0 HB3 LEU A 50 8.325 4.748 5.566 1.00 15.30 H new ATOM 0 HG LEU A 50 7.749 3.432 3.595 1.00 42.23 H new ATOM 0 HD11 LEU A 50 8.934 1.335 4.163 1.00 20.23 H new ATOM 0 HD12 LEU A 50 9.725 2.763 4.872 1.00 20.23 H new ATOM 0 HD13 LEU A 50 8.728 1.699 5.893 1.00 20.23 H new ATOM 0 HD21 LEU A 50 6.509 1.309 3.769 1.00 11.11 H new ATOM 0 HD22 LEU A 50 6.160 1.662 5.478 1.00 11.11 H new ATOM 0 HD23 LEU A 50 5.502 2.711 4.200 1.00 11.11 H new ATOM 815 N GLU A 51 6.973 5.842 8.211 1.00 31.32 N ATOM 816 CA GLU A 51 7.374 6.905 9.146 1.00 44.14 C ATOM 817 C GLU A 51 7.295 6.419 10.605 1.00 33.03 C ATOM 818 O GLU A 51 7.940 6.980 11.495 1.00 25.11 O ATOM 819 CB GLU A 51 6.515 8.169 8.956 1.00 71.43 C ATOM 820 CG GLU A 51 5.042 7.988 9.302 1.00 61.04 C ATOM 821 CD GLU A 51 4.225 9.256 9.096 1.00 1.22 C ATOM 822 OE1 GLU A 51 3.719 9.473 7.974 1.00 2.03 O ATOM 823 OE2 GLU A 51 4.079 10.044 10.057 1.00 73.30 O ATOM 0 H GLU A 51 6.087 6.008 7.734 1.00 31.32 H new ATOM 0 HA GLU A 51 8.410 7.160 8.924 1.00 44.14 H new ATOM 0 HB2 GLU A 51 6.925 8.968 9.574 1.00 71.43 H new ATOM 0 HB3 GLU A 51 6.595 8.495 7.919 1.00 71.43 H new ATOM 0 HG2 GLU A 51 4.625 7.190 8.688 1.00 61.04 H new ATOM 0 HG3 GLU A 51 4.954 7.670 10.341 1.00 61.04 H new ATOM 830 N ASP A 52 6.492 5.381 10.848 1.00 14.40 N ATOM 831 CA ASP A 52 6.436 4.736 12.162 1.00 10.24 C ATOM 832 C ASP A 52 7.706 3.911 12.415 1.00 22.02 C ATOM 833 O ASP A 52 8.342 4.028 13.467 1.00 3.30 O ATOM 834 CB ASP A 52 5.197 3.842 12.270 1.00 75.42 C ATOM 835 CG ASP A 52 5.052 3.233 13.650 1.00 4.41 C ATOM 836 OD1 ASP A 52 4.687 3.970 14.589 1.00 34.45 O ATOM 837 OD2 ASP A 52 5.311 2.024 13.810 1.00 33.14 O ATOM 0 H ASP A 52 5.871 4.969 10.152 1.00 14.40 H new ATOM 0 HA ASP A 52 6.371 5.516 12.920 1.00 10.24 H new ATOM 0 HB2 ASP A 52 4.307 4.427 12.037 1.00 75.42 H new ATOM 0 HB3 ASP A 52 5.259 3.046 11.528 1.00 75.42 H new ATOM 842 N GLU A 53 8.063 3.070 11.448 1.00 74.45 N ATOM 843 CA GLU A 53 9.297 2.282 11.517 1.00 42.33 C ATOM 844 C GLU A 53 10.383 2.917 10.644 1.00 31.12 C ATOM 845 O GLU A 53 11.453 2.336 10.429 1.00 62.32 O ATOM 846 CB GLU A 53 9.032 0.838 11.068 1.00 43.34 C ATOM 847 CG GLU A 53 7.937 0.138 11.867 1.00 1.55 C ATOM 848 CD GLU A 53 7.771 -1.324 11.490 1.00 53.41 C ATOM 849 OE1 GLU A 53 7.220 -1.609 10.407 1.00 31.00 O ATOM 850 OE2 GLU A 53 8.189 -2.200 12.272 1.00 72.02 O ATOM 0 H GLU A 53 7.514 2.914 10.602 1.00 74.45 H new ATOM 0 HA GLU A 53 9.644 2.269 12.550 1.00 42.33 H new ATOM 0 HB2 GLU A 53 8.755 0.840 10.014 1.00 43.34 H new ATOM 0 HB3 GLU A 53 9.955 0.265 11.154 1.00 43.34 H new ATOM 0 HG2 GLU A 53 8.168 0.210 12.930 1.00 1.55 H new ATOM 0 HG3 GLU A 53 6.992 0.658 11.710 1.00 1.55 H new TER 857 GLU A 53 ATOM 858 N MET B 201 -23.561 -19.288 3.666 1.00 33.22 N ATOM 859 CA MET B 201 -22.587 -18.670 2.766 1.00 30.11 C ATOM 860 C MET B 201 -23.283 -17.915 1.624 1.00 43.21 C ATOM 861 O MET B 201 -23.951 -18.518 0.780 1.00 33.43 O ATOM 862 CB MET B 201 -21.631 -19.722 2.188 1.00 63.12 C ATOM 863 CG MET B 201 -20.773 -20.427 3.233 1.00 35.03 C ATOM 864 SD MET B 201 -19.512 -21.486 2.496 1.00 13.30 S ATOM 865 CE MET B 201 -18.756 -22.194 3.960 1.00 15.33 C ATOM 0 HA MET B 201 -22.011 -17.954 3.353 1.00 30.11 H new ATOM 0 HB2 MET B 201 -22.213 -20.469 1.648 1.00 63.12 H new ATOM 0 HB3 MET B 201 -20.977 -19.242 1.461 1.00 63.12 H new ATOM 0 HG2 MET B 201 -20.291 -19.681 3.865 1.00 35.03 H new ATOM 0 HG3 MET B 201 -21.414 -21.027 3.879 1.00 35.03 H new ATOM 0 HE1 MET B 201 -17.956 -22.873 3.664 1.00 15.33 H new ATOM 0 HE2 MET B 201 -18.345 -21.397 4.579 1.00 15.33 H new ATOM 0 HE3 MET B 201 -19.507 -22.744 4.528 1.00 15.33 H new ATOM 875 N VAL B 202 -23.128 -16.592 1.610 1.00 12.15 N ATOM 876 CA VAL B 202 -23.708 -15.748 0.558 1.00 11.53 C ATOM 877 C VAL B 202 -22.624 -15.042 -0.278 1.00 62.21 C ATOM 878 O VAL B 202 -22.851 -14.706 -1.442 1.00 44.23 O ATOM 879 CB VAL B 202 -24.668 -14.680 1.147 1.00 61.53 C ATOM 880 CG1 VAL B 202 -25.843 -15.344 1.863 1.00 74.53 C ATOM 881 CG2 VAL B 202 -23.924 -13.731 2.086 1.00 71.11 C ATOM 0 H VAL B 202 -22.604 -16.077 2.317 1.00 12.15 H new ATOM 0 HA VAL B 202 -24.271 -16.418 -0.091 1.00 11.53 H new ATOM 0 HB VAL B 202 -25.063 -14.090 0.320 1.00 61.53 H new ATOM 0 HG11 VAL B 202 -26.503 -14.577 2.268 1.00 74.53 H new ATOM 0 HG12 VAL B 202 -26.397 -15.963 1.157 1.00 74.53 H new ATOM 0 HG13 VAL B 202 -25.469 -15.967 2.676 1.00 74.53 H new ATOM 0 HG21 VAL B 202 -24.620 -12.993 2.484 1.00 71.11 H new ATOM 0 HG22 VAL B 202 -23.488 -14.300 2.908 1.00 71.11 H new ATOM 0 HG23 VAL B 202 -23.132 -13.223 1.537 1.00 71.11 H new ATOM 891 N GLY B 203 -21.445 -14.820 0.312 1.00 50.12 N ATOM 892 CA GLY B 203 -20.379 -14.116 -0.401 1.00 42.15 C ATOM 893 C GLY B 203 -18.980 -14.339 0.173 1.00 15.33 C ATOM 894 O GLY B 203 -18.067 -13.558 -0.095 1.00 64.53 O ATOM 0 H GLY B 203 -21.209 -15.111 1.261 1.00 50.12 H new ATOM 0 HA2 GLY B 203 -20.385 -14.433 -1.444 1.00 42.15 H new ATOM 0 HA3 GLY B 203 -20.596 -13.048 -0.391 1.00 42.15 H new ATOM 898 N ARG B 204 -18.797 -15.394 0.964 1.00 21.42 N ATOM 899 CA ARG B 204 -17.470 -15.725 1.504 1.00 42.44 C ATOM 900 C ARG B 204 -16.841 -16.905 0.751 1.00 62.35 C ATOM 901 O ARG B 204 -17.548 -17.786 0.260 1.00 24.21 O ATOM 902 CB ARG B 204 -17.554 -16.040 3.005 1.00 55.21 C ATOM 903 CG ARG B 204 -17.919 -14.835 3.872 1.00 32.24 C ATOM 904 CD ARG B 204 -18.024 -15.208 5.349 1.00 54.02 C ATOM 905 NE ARG B 204 -18.389 -14.064 6.184 1.00 44.41 N ATOM 906 CZ ARG B 204 -19.355 -14.076 7.067 1.00 62.34 C ATOM 907 NH1 ARG B 204 -20.105 -15.123 7.208 1.00 61.11 N ATOM 908 NH2 ARG B 204 -19.575 -13.030 7.795 1.00 62.34 N ATOM 0 H ARG B 204 -19.541 -16.033 1.246 1.00 21.42 H new ATOM 0 HA ARG B 204 -16.832 -14.852 1.365 1.00 42.44 H new ATOM 0 HB2 ARG B 204 -18.294 -16.825 3.161 1.00 55.21 H new ATOM 0 HB3 ARG B 204 -16.595 -16.437 3.337 1.00 55.21 H new ATOM 0 HG2 ARG B 204 -17.167 -14.056 3.747 1.00 32.24 H new ATOM 0 HG3 ARG B 204 -18.868 -14.419 3.534 1.00 32.24 H new ATOM 0 HD2 ARG B 204 -18.767 -15.996 5.471 1.00 54.02 H new ATOM 0 HD3 ARG B 204 -17.071 -15.613 5.688 1.00 54.02 H new ATOM 0 HE ARG B 204 -17.857 -13.201 6.071 1.00 44.41 H new ATOM 0 HH11 ARG B 204 -19.945 -15.947 6.628 1.00 61.11 H new ATOM 0 HH12 ARG B 204 -20.856 -15.123 7.899 1.00 61.11 H new ATOM 0 HH21 ARG B 204 -18.996 -12.198 7.680 1.00 62.34 H new ATOM 0 HH22 ARG B 204 -20.327 -13.037 8.484 1.00 62.34 H new ATOM 922 N ARG B 205 -15.507 -16.908 0.678 1.00 31.53 N ATOM 923 CA ARG B 205 -14.737 -17.944 -0.035 1.00 54.04 C ATOM 924 C ARG B 205 -14.959 -17.875 -1.562 1.00 72.13 C ATOM 925 O ARG B 205 -15.902 -18.470 -2.090 1.00 74.31 O ATOM 926 CB ARG B 205 -15.082 -19.353 0.486 1.00 54.40 C ATOM 927 CG ARG B 205 -14.983 -19.503 2.001 1.00 44.11 C ATOM 928 CD ARG B 205 -13.583 -19.199 2.527 1.00 22.03 C ATOM 929 NE ARG B 205 -13.541 -19.252 3.983 1.00 32.53 N ATOM 930 CZ ARG B 205 -12.466 -19.113 4.706 1.00 73.41 C ATOM 931 NH1 ARG B 205 -11.306 -18.946 4.154 1.00 62.51 N ATOM 932 NH2 ARG B 205 -12.559 -19.158 5.991 1.00 3.11 N ATOM 0 H ARG B 205 -14.924 -16.192 1.111 1.00 31.53 H new ATOM 0 HA ARG B 205 -13.683 -17.746 0.163 1.00 54.04 H new ATOM 0 HB2 ARG B 205 -16.095 -19.606 0.173 1.00 54.40 H new ATOM 0 HB3 ARG B 205 -14.414 -20.075 0.017 1.00 54.40 H new ATOM 0 HG2 ARG B 205 -15.700 -18.834 2.477 1.00 44.11 H new ATOM 0 HG3 ARG B 205 -15.261 -20.519 2.281 1.00 44.11 H new ATOM 0 HD2 ARG B 205 -12.874 -19.916 2.114 1.00 22.03 H new ATOM 0 HD3 ARG B 205 -13.271 -18.211 2.188 1.00 22.03 H new ATOM 0 HE ARG B 205 -14.421 -19.410 4.474 1.00 32.53 H new ATOM 0 HH11 ARG B 205 -11.224 -18.922 3.138 1.00 62.51 H new ATOM 0 HH12 ARG B 205 -10.475 -18.839 4.736 1.00 62.51 H new ATOM 0 HH21 ARG B 205 -13.468 -19.301 6.432 1.00 3.11 H new ATOM 0 HH22 ARG B 205 -11.724 -19.050 6.567 1.00 3.11 H new ATOM 946 N PRO B 206 -14.115 -17.114 -2.289 1.00 61.54 N ATOM 947 CA PRO B 206 -14.176 -17.024 -3.756 1.00 71.21 C ATOM 948 C PRO B 206 -13.472 -18.202 -4.461 1.00 43.43 C ATOM 949 O PRO B 206 -14.126 -19.074 -5.044 1.00 31.10 O ATOM 950 CB PRO B 206 -13.464 -15.683 -4.067 1.00 34.43 C ATOM 951 CG PRO B 206 -13.086 -15.096 -2.735 1.00 53.55 C ATOM 952 CD PRO B 206 -13.062 -16.241 -1.759 1.00 42.01 C ATOM 0 HA PRO B 206 -15.202 -17.067 -4.120 1.00 71.21 H new ATOM 0 HB2 PRO B 206 -12.582 -15.844 -4.687 1.00 34.43 H new ATOM 0 HB3 PRO B 206 -14.122 -15.010 -4.617 1.00 34.43 H new ATOM 0 HG2 PRO B 206 -12.112 -14.609 -2.787 1.00 53.55 H new ATOM 0 HG3 PRO B 206 -13.805 -14.337 -2.426 1.00 53.55 H new ATOM 0 HD2 PRO B 206 -12.092 -16.738 -1.737 1.00 42.01 H new ATOM 0 HD3 PRO B 206 -13.276 -15.915 -0.741 1.00 42.01 H new ATOM 960 N GLY B 207 -12.138 -18.231 -4.399 1.00 21.45 N ATOM 961 CA GLY B 207 -11.368 -19.274 -5.072 1.00 21.43 C ATOM 962 C GLY B 207 -10.330 -19.946 -4.175 1.00 75.20 C ATOM 963 O GLY B 207 -10.525 -21.080 -3.729 1.00 54.20 O ATOM 0 H GLY B 207 -11.574 -17.548 -3.893 1.00 21.45 H new ATOM 0 HA2 GLY B 207 -12.053 -20.032 -5.451 1.00 21.43 H new ATOM 0 HA3 GLY B 207 -10.863 -18.841 -5.935 1.00 21.43 H new ATOM 967 N GLY B 208 -9.219 -19.254 -3.921 1.00 75.01 N ATOM 968 CA GLY B 208 -8.150 -19.828 -3.102 1.00 71.43 C ATOM 969 C GLY B 208 -6.894 -18.960 -3.033 1.00 15.43 C ATOM 970 O GLY B 208 -5.775 -19.471 -3.073 1.00 12.14 O ATOM 0 H GLY B 208 -9.037 -18.311 -4.264 1.00 75.01 H new ATOM 0 HA2 GLY B 208 -8.525 -19.989 -2.091 1.00 71.43 H new ATOM 0 HA3 GLY B 208 -7.883 -20.806 -3.502 1.00 71.43 H new ATOM 974 N GLY B 209 -7.085 -17.646 -2.941 1.00 72.23 N ATOM 975 CA GLY B 209 -5.962 -16.715 -2.807 1.00 4.32 C ATOM 976 C GLY B 209 -5.136 -16.540 -4.084 1.00 74.32 C ATOM 977 O GLY B 209 -4.102 -15.869 -4.067 1.00 75.11 O ATOM 0 H GLY B 209 -8.003 -17.201 -2.956 1.00 72.23 H new ATOM 0 HA2 GLY B 209 -6.346 -15.742 -2.500 1.00 4.32 H new ATOM 0 HA3 GLY B 209 -5.307 -17.066 -2.009 1.00 4.32 H new ATOM 981 N LEU B 210 -5.594 -17.120 -5.197 1.00 11.14 N ATOM 982 CA LEU B 210 -4.849 -17.065 -6.466 1.00 51.42 C ATOM 983 C LEU B 210 -5.408 -15.981 -7.405 1.00 43.22 C ATOM 984 O LEU B 210 -4.709 -15.032 -7.764 1.00 1.02 O ATOM 985 CB LEU B 210 -4.876 -18.436 -7.162 1.00 51.45 C ATOM 986 CG LEU B 210 -4.200 -19.587 -6.390 1.00 75.45 C ATOM 987 CD1 LEU B 210 -4.241 -20.883 -7.198 1.00 74.20 C ATOM 988 CD2 LEU B 210 -2.759 -19.226 -6.027 1.00 2.22 C ATOM 0 H LEU B 210 -6.474 -17.633 -5.249 1.00 11.14 H new ATOM 0 HA LEU B 210 -3.817 -16.804 -6.232 1.00 51.42 H new ATOM 0 HB2 LEU B 210 -5.915 -18.708 -7.349 1.00 51.45 H new ATOM 0 HB3 LEU B 210 -4.392 -18.340 -8.134 1.00 51.45 H new ATOM 0 HG LEU B 210 -4.757 -19.744 -5.466 1.00 75.45 H new ATOM 0 HD11 LEU B 210 -3.758 -21.680 -6.632 1.00 74.20 H new ATOM 0 HD12 LEU B 210 -5.278 -21.156 -7.396 1.00 74.20 H new ATOM 0 HD13 LEU B 210 -3.717 -20.740 -8.143 1.00 74.20 H new ATOM 0 HD21 LEU B 210 -2.303 -20.053 -5.483 1.00 2.22 H new ATOM 0 HD22 LEU B 210 -2.192 -19.034 -6.938 1.00 2.22 H new ATOM 0 HD23 LEU B 210 -2.754 -18.334 -5.401 1.00 2.22 H new ATOM 1000 N LYS B 211 -6.669 -16.133 -7.806 1.00 1.12 N ATOM 1001 CA LYS B 211 -7.340 -15.141 -8.663 1.00 22.32 C ATOM 1002 C LYS B 211 -8.234 -14.214 -7.823 1.00 25.34 C ATOM 1003 O LYS B 211 -8.950 -13.362 -8.351 1.00 14.51 O ATOM 1004 CB LYS B 211 -8.178 -15.847 -9.745 1.00 4.10 C ATOM 1005 CG LYS B 211 -9.323 -16.697 -9.193 1.00 24.31 C ATOM 1006 CD LYS B 211 -10.172 -17.305 -10.308 1.00 31.05 C ATOM 1007 CE LYS B 211 -11.372 -18.071 -9.756 1.00 31.54 C ATOM 1008 NZ LYS B 211 -10.965 -19.266 -8.968 1.00 22.13 N ATOM 0 H LYS B 211 -7.252 -16.932 -7.554 1.00 1.12 H new ATOM 0 HA LYS B 211 -6.574 -14.536 -9.149 1.00 22.32 H new ATOM 0 HB2 LYS B 211 -8.590 -15.095 -10.418 1.00 4.10 H new ATOM 0 HB3 LYS B 211 -7.522 -16.483 -10.340 1.00 4.10 H new ATOM 0 HG2 LYS B 211 -8.916 -17.494 -8.571 1.00 24.31 H new ATOM 0 HG3 LYS B 211 -9.954 -16.083 -8.551 1.00 24.31 H new ATOM 0 HD2 LYS B 211 -10.520 -16.514 -10.972 1.00 31.05 H new ATOM 0 HD3 LYS B 211 -9.557 -17.976 -10.908 1.00 31.05 H new ATOM 0 HE2 LYS B 211 -11.965 -17.408 -9.126 1.00 31.54 H new ATOM 0 HE3 LYS B 211 -12.012 -18.383 -10.581 1.00 31.54 H new ATOM 0 HZ1 LYS B 211 -11.378 -20.120 -9.394 1.00 22.13 H new ATOM 0 HZ2 LYS B 211 -9.928 -19.345 -8.968 1.00 22.13 H new ATOM 0 HZ3 LYS B 211 -11.304 -19.169 -7.990 1.00 22.13 H new ATOM 1022 N ASP B 212 -8.171 -14.398 -6.510 1.00 74.44 N ATOM 1023 CA ASP B 212 -9.013 -13.672 -5.562 1.00 33.24 C ATOM 1024 C ASP B 212 -8.567 -12.208 -5.401 1.00 1.12 C ATOM 1025 O ASP B 212 -9.333 -11.282 -5.667 1.00 73.42 O ATOM 1026 CB ASP B 212 -8.958 -14.382 -4.205 1.00 32.31 C ATOM 1027 CG ASP B 212 -9.240 -15.875 -4.309 1.00 45.53 C ATOM 1028 OD1 ASP B 212 -8.512 -16.574 -5.050 1.00 34.15 O ATOM 1029 OD2 ASP B 212 -10.155 -16.366 -3.624 1.00 22.42 O ATOM 0 H ASP B 212 -7.531 -15.058 -6.069 1.00 74.44 H new ATOM 0 HA ASP B 212 -10.032 -13.662 -5.948 1.00 33.24 H new ATOM 0 HB2 ASP B 212 -7.974 -14.233 -3.761 1.00 32.31 H new ATOM 0 HB3 ASP B 212 -9.684 -13.926 -3.532 1.00 32.31 H new ATOM 1034 N THR B 213 -7.322 -12.012 -4.964 1.00 30.20 N ATOM 1035 CA THR B 213 -6.799 -10.667 -4.664 1.00 2.43 C ATOM 1036 C THR B 213 -6.631 -9.807 -5.929 1.00 3.11 C ATOM 1037 O THR B 213 -6.065 -10.253 -6.931 1.00 64.21 O ATOM 1038 CB THR B 213 -5.443 -10.746 -3.922 1.00 63.01 C ATOM 1039 OG1 THR B 213 -4.485 -11.463 -4.715 1.00 63.32 O ATOM 1040 CG2 THR B 213 -5.597 -11.431 -2.566 1.00 52.44 C ATOM 0 H THR B 213 -6.652 -12.765 -4.808 1.00 30.20 H new ATOM 0 HA THR B 213 -7.540 -10.191 -4.022 1.00 2.43 H new ATOM 0 HB THR B 213 -5.091 -9.727 -3.759 1.00 63.01 H new ATOM 0 HG1 THR B 213 -3.631 -11.505 -4.237 1.00 63.32 H new ATOM 0 HG21 THR B 213 -4.629 -11.472 -2.067 1.00 52.44 H new ATOM 0 HG22 THR B 213 -6.298 -10.867 -1.951 1.00 52.44 H new ATOM 0 HG23 THR B 213 -5.974 -12.443 -2.711 1.00 52.44 H new ATOM 1048 N LYS B 214 -7.116 -8.562 -5.872 1.00 21.12 N ATOM 1049 CA LYS B 214 -7.070 -7.649 -7.024 1.00 44.42 C ATOM 1050 C LYS B 214 -5.874 -6.676 -6.931 1.00 32.21 C ATOM 1051 O LYS B 214 -5.683 -6.010 -5.911 1.00 73.04 O ATOM 1052 CB LYS B 214 -8.384 -6.851 -7.121 1.00 0.12 C ATOM 1053 CG LYS B 214 -9.642 -7.722 -7.169 1.00 43.24 C ATOM 1054 CD LYS B 214 -9.620 -8.712 -8.337 1.00 35.14 C ATOM 1055 CE LYS B 214 -9.615 -8.015 -9.695 1.00 74.33 C ATOM 1056 NZ LYS B 214 -10.866 -7.253 -9.943 1.00 71.12 N ATOM 0 H LYS B 214 -7.546 -8.161 -5.039 1.00 21.12 H new ATOM 0 HA LYS B 214 -6.944 -8.255 -7.921 1.00 44.42 H new ATOM 0 HB2 LYS B 214 -8.453 -6.179 -6.265 1.00 0.12 H new ATOM 0 HB3 LYS B 214 -8.353 -6.227 -8.014 1.00 0.12 H new ATOM 0 HG2 LYS B 214 -9.737 -8.271 -6.232 1.00 43.24 H new ATOM 0 HG3 LYS B 214 -10.521 -7.083 -7.254 1.00 43.24 H new ATOM 0 HD2 LYS B 214 -8.737 -9.346 -8.255 1.00 35.14 H new ATOM 0 HD3 LYS B 214 -10.490 -9.366 -8.271 1.00 35.14 H new ATOM 0 HE2 LYS B 214 -8.763 -7.338 -9.750 1.00 74.33 H new ATOM 0 HE3 LYS B 214 -9.483 -8.758 -10.482 1.00 74.33 H new ATOM 0 HZ1 LYS B 214 -10.875 -6.911 -10.925 1.00 71.12 H new ATOM 0 HZ2 LYS B 214 -11.687 -7.872 -9.784 1.00 71.12 H new ATOM 0 HZ3 LYS B 214 -10.913 -6.442 -9.294 1.00 71.12 H new ATOM 1070 N PRO B 215 -5.047 -6.590 -7.996 1.00 52.14 N ATOM 1071 CA PRO B 215 -3.887 -5.672 -8.039 1.00 73.33 C ATOM 1072 C PRO B 215 -4.277 -4.183 -7.955 1.00 13.24 C ATOM 1073 O PRO B 215 -4.817 -3.611 -8.904 1.00 33.31 O ATOM 1074 CB PRO B 215 -3.234 -5.980 -9.401 1.00 31.25 C ATOM 1075 CG PRO B 215 -3.757 -7.324 -9.783 1.00 12.50 C ATOM 1076 CD PRO B 215 -5.154 -7.386 -9.232 1.00 4.34 C ATOM 0 HA PRO B 215 -3.231 -5.828 -7.183 1.00 73.33 H new ATOM 0 HB2 PRO B 215 -3.498 -5.228 -10.144 1.00 31.25 H new ATOM 0 HB3 PRO B 215 -2.147 -5.986 -9.325 1.00 31.25 H new ATOM 0 HG2 PRO B 215 -3.757 -7.451 -10.866 1.00 12.50 H new ATOM 0 HG3 PRO B 215 -3.136 -8.118 -9.368 1.00 12.50 H new ATOM 0 HD2 PRO B 215 -5.882 -6.964 -9.925 1.00 4.34 H new ATOM 0 HD3 PRO B 215 -5.465 -8.411 -9.029 1.00 4.34 H new ATOM 1084 N VAL B 216 -4.006 -3.566 -6.807 1.00 61.41 N ATOM 1085 CA VAL B 216 -4.267 -2.137 -6.597 1.00 61.23 C ATOM 1086 C VAL B 216 -2.994 -1.302 -6.829 1.00 15.42 C ATOM 1087 O VAL B 216 -1.901 -1.693 -6.420 1.00 3.22 O ATOM 1088 CB VAL B 216 -4.791 -1.870 -5.161 1.00 71.50 C ATOM 1089 CG1 VAL B 216 -5.097 -0.386 -4.953 1.00 51.20 C ATOM 1090 CG2 VAL B 216 -6.022 -2.727 -4.869 1.00 53.21 C ATOM 0 H VAL B 216 -3.601 -4.036 -5.998 1.00 61.41 H new ATOM 0 HA VAL B 216 -5.029 -1.841 -7.318 1.00 61.23 H new ATOM 0 HB VAL B 216 -4.006 -2.149 -4.458 1.00 71.50 H new ATOM 0 HG11 VAL B 216 -5.462 -0.229 -3.938 1.00 51.20 H new ATOM 0 HG12 VAL B 216 -4.189 0.198 -5.107 1.00 51.20 H new ATOM 0 HG13 VAL B 216 -5.858 -0.068 -5.666 1.00 51.20 H new ATOM 0 HG21 VAL B 216 -6.374 -2.525 -3.857 1.00 53.21 H new ATOM 0 HG22 VAL B 216 -6.810 -2.487 -5.582 1.00 53.21 H new ATOM 0 HG23 VAL B 216 -5.761 -3.781 -4.959 1.00 53.21 H new ATOM 1100 N VAL B 217 -3.143 -0.158 -7.493 1.00 21.42 N ATOM 1101 CA VAL B 217 -2.015 0.750 -7.735 1.00 13.03 C ATOM 1102 C VAL B 217 -1.871 1.770 -6.592 1.00 30.43 C ATOM 1103 O VAL B 217 -2.838 2.430 -6.218 1.00 3.44 O ATOM 1104 CB VAL B 217 -2.185 1.514 -9.073 1.00 71.33 C ATOM 1105 CG1 VAL B 217 -0.985 2.424 -9.341 1.00 54.33 C ATOM 1106 CG2 VAL B 217 -2.398 0.537 -10.228 1.00 24.02 C ATOM 0 H VAL B 217 -4.032 0.166 -7.875 1.00 21.42 H new ATOM 0 HA VAL B 217 -1.117 0.135 -7.786 1.00 13.03 H new ATOM 0 HB VAL B 217 -3.070 2.145 -8.993 1.00 71.33 H new ATOM 0 HG11 VAL B 217 -1.130 2.948 -10.286 1.00 54.33 H new ATOM 0 HG12 VAL B 217 -0.892 3.150 -8.534 1.00 54.33 H new ATOM 0 HG13 VAL B 217 -0.077 1.823 -9.395 1.00 54.33 H new ATOM 0 HG21 VAL B 217 -2.515 1.093 -11.158 1.00 24.02 H new ATOM 0 HG22 VAL B 217 -1.536 -0.126 -10.308 1.00 24.02 H new ATOM 0 HG23 VAL B 217 -3.295 -0.054 -10.044 1.00 24.02 H new ATOM 1116 N VAL B 218 -0.662 1.895 -6.047 1.00 30.22 N ATOM 1117 CA VAL B 218 -0.387 2.839 -4.953 1.00 71.41 C ATOM 1118 C VAL B 218 0.974 3.538 -5.158 1.00 4.34 C ATOM 1119 O VAL B 218 1.855 3.012 -5.829 1.00 74.32 O ATOM 1120 CB VAL B 218 -0.413 2.119 -3.576 1.00 14.50 C ATOM 1121 CG1 VAL B 218 0.639 1.012 -3.517 1.00 71.21 C ATOM 1122 CG2 VAL B 218 -0.228 3.115 -2.430 1.00 14.24 C ATOM 0 H VAL B 218 0.150 1.353 -6.344 1.00 30.22 H new ATOM 0 HA VAL B 218 -1.172 3.595 -4.964 1.00 71.41 H new ATOM 0 HB VAL B 218 -1.393 1.656 -3.459 1.00 14.50 H new ATOM 0 HG11 VAL B 218 0.600 0.524 -2.543 1.00 71.21 H new ATOM 0 HG12 VAL B 218 0.440 0.279 -4.298 1.00 71.21 H new ATOM 0 HG13 VAL B 218 1.629 1.443 -3.667 1.00 71.21 H new ATOM 0 HG21 VAL B 218 -0.250 2.583 -1.479 1.00 14.24 H new ATOM 0 HG22 VAL B 218 0.731 3.622 -2.540 1.00 14.24 H new ATOM 0 HG23 VAL B 218 -1.032 3.850 -2.454 1.00 14.24 H new ATOM 1132 N ARG B 219 1.136 4.733 -4.591 1.00 24.42 N ATOM 1133 CA ARG B 219 2.386 5.499 -4.735 1.00 50.51 C ATOM 1134 C ARG B 219 3.206 5.520 -3.428 1.00 73.31 C ATOM 1135 O ARG B 219 2.644 5.554 -2.336 1.00 34.02 O ATOM 1136 CB ARG B 219 2.077 6.940 -5.163 1.00 45.10 C ATOM 1137 CG ARG B 219 1.420 7.072 -6.534 1.00 72.53 C ATOM 1138 CD ARG B 219 1.201 8.537 -6.903 1.00 32.20 C ATOM 1139 NE ARG B 219 0.608 8.697 -8.229 1.00 24.01 N ATOM 1140 CZ ARG B 219 0.313 9.851 -8.770 1.00 3.42 C ATOM 1141 NH1 ARG B 219 0.544 10.956 -8.129 1.00 53.10 N ATOM 1142 NH2 ARG B 219 -0.218 9.895 -9.949 1.00 55.12 N ATOM 0 H ARG B 219 0.423 5.196 -4.028 1.00 24.42 H new ATOM 0 HA ARG B 219 2.982 5.002 -5.500 1.00 50.51 H new ATOM 0 HB2 ARG B 219 1.424 7.394 -4.417 1.00 45.10 H new ATOM 0 HB3 ARG B 219 3.005 7.511 -5.164 1.00 45.10 H new ATOM 0 HG2 ARG B 219 2.046 6.594 -7.288 1.00 72.53 H new ATOM 0 HG3 ARG B 219 0.464 6.548 -6.534 1.00 72.53 H new ATOM 0 HD2 ARG B 219 0.553 9.003 -6.160 1.00 32.20 H new ATOM 0 HD3 ARG B 219 2.155 9.063 -6.869 1.00 32.20 H new ATOM 0 HE ARG B 219 0.411 7.854 -8.768 1.00 24.01 H new ATOM 0 HH11 ARG B 219 0.958 10.928 -7.197 1.00 53.10 H new ATOM 0 HH12 ARG B 219 0.311 11.852 -8.557 1.00 53.10 H new ATOM 0 HH21 ARG B 219 -0.406 9.030 -10.456 1.00 55.12 H new ATOM 0 HH22 ARG B 219 -0.448 10.794 -10.371 1.00 55.12 H new ATOM 1156 N LEU B 220 4.537 5.513 -3.553 1.00 24.05 N ATOM 1157 CA LEU B 220 5.436 5.601 -2.389 1.00 13.12 C ATOM 1158 C LEU B 220 6.751 6.315 -2.764 1.00 32.35 C ATOM 1159 O LEU B 220 7.161 6.314 -3.926 1.00 4.33 O ATOM 1160 CB LEU B 220 5.728 4.194 -1.832 1.00 21.52 C ATOM 1161 CG LEU B 220 6.570 4.145 -0.539 1.00 43.41 C ATOM 1162 CD1 LEU B 220 5.879 4.908 0.592 1.00 33.52 C ATOM 1163 CD2 LEU B 220 6.839 2.696 -0.129 1.00 20.51 C ATOM 0 H LEU B 220 5.020 5.447 -4.449 1.00 24.05 H new ATOM 0 HA LEU B 220 4.939 6.188 -1.616 1.00 13.12 H new ATOM 0 HB2 LEU B 220 4.778 3.694 -1.644 1.00 21.52 H new ATOM 0 HB3 LEU B 220 6.244 3.619 -2.601 1.00 21.52 H new ATOM 0 HG LEU B 220 7.526 4.630 -0.737 1.00 43.41 H new ATOM 0 HD11 LEU B 220 6.492 4.859 1.492 1.00 33.52 H new ATOM 0 HD12 LEU B 220 5.746 5.950 0.300 1.00 33.52 H new ATOM 0 HD13 LEU B 220 4.905 4.460 0.791 1.00 33.52 H new ATOM 0 HD21 LEU B 220 7.434 2.681 0.784 1.00 20.51 H new ATOM 0 HD22 LEU B 220 5.892 2.186 0.046 1.00 20.51 H new ATOM 0 HD23 LEU B 220 7.383 2.188 -0.925 1.00 20.51 H new ATOM 1175 N TYR B 221 7.406 6.937 -1.782 1.00 61.51 N ATOM 1176 CA TYR B 221 8.663 7.665 -2.022 1.00 22.03 C ATOM 1177 C TYR B 221 9.821 6.713 -2.376 1.00 41.13 C ATOM 1178 O TYR B 221 10.004 5.684 -1.729 1.00 65.33 O ATOM 1179 CB TYR B 221 9.035 8.503 -0.793 1.00 72.31 C ATOM 1180 CG TYR B 221 8.112 9.682 -0.558 1.00 40.20 C ATOM 1181 CD1 TYR B 221 6.962 9.554 0.215 1.00 20.54 C ATOM 1182 CD2 TYR B 221 8.394 10.927 -1.112 1.00 13.13 C ATOM 1183 CE1 TYR B 221 6.121 10.631 0.425 1.00 64.24 C ATOM 1184 CE2 TYR B 221 7.557 12.006 -0.905 1.00 15.23 C ATOM 1185 CZ TYR B 221 6.426 11.854 -0.136 1.00 42.21 C ATOM 1186 OH TYR B 221 5.593 12.931 0.075 1.00 15.24 O ATOM 0 H TYR B 221 7.091 6.954 -0.812 1.00 61.51 H new ATOM 0 HA TYR B 221 8.500 8.323 -2.876 1.00 22.03 H new ATOM 0 HB2 TYR B 221 9.024 7.863 0.089 1.00 72.31 H new ATOM 0 HB3 TYR B 221 10.055 8.869 -0.909 1.00 72.31 H new ATOM 0 HD1 TYR B 221 6.723 8.598 0.658 1.00 20.54 H new ATOM 0 HD2 TYR B 221 9.282 11.052 -1.714 1.00 13.13 H new ATOM 0 HE1 TYR B 221 5.230 10.516 1.025 1.00 64.24 H new ATOM 0 HE2 TYR B 221 7.789 12.965 -1.345 1.00 15.23 H new ATOM 0 HH TYR B 221 5.951 13.717 -0.388 1.00 15.24 H new ATOM 1196 N PRO B 222 10.636 7.067 -3.397 1.00 34.44 N ATOM 1197 CA PRO B 222 11.754 6.220 -3.870 1.00 24.23 C ATOM 1198 C PRO B 222 12.677 5.736 -2.738 1.00 53.53 C ATOM 1199 O PRO B 222 12.951 4.542 -2.608 1.00 43.34 O ATOM 1200 CB PRO B 222 12.517 7.153 -4.823 1.00 12.20 C ATOM 1201 CG PRO B 222 11.493 8.120 -5.311 1.00 72.01 C ATOM 1202 CD PRO B 222 10.536 8.326 -4.166 1.00 32.14 C ATOM 0 HA PRO B 222 11.392 5.302 -4.332 1.00 24.23 H new ATOM 0 HB2 PRO B 222 13.330 7.665 -4.309 1.00 12.20 H new ATOM 0 HB3 PRO B 222 12.961 6.597 -5.649 1.00 12.20 H new ATOM 0 HG2 PRO B 222 11.956 9.062 -5.607 1.00 72.01 H new ATOM 0 HG3 PRO B 222 10.975 7.730 -6.187 1.00 72.01 H new ATOM 0 HD2 PRO B 222 10.815 9.188 -3.561 1.00 32.14 H new ATOM 0 HD3 PRO B 222 9.520 8.500 -4.519 1.00 32.14 H new ATOM 1210 N ASP B 223 13.145 6.673 -1.917 1.00 11.20 N ATOM 1211 CA ASP B 223 14.038 6.355 -0.798 1.00 54.22 C ATOM 1212 C ASP B 223 13.396 5.348 0.173 1.00 64.21 C ATOM 1213 O ASP B 223 14.043 4.406 0.622 1.00 41.33 O ATOM 1214 CB ASP B 223 14.402 7.640 -0.054 1.00 70.45 C ATOM 1215 CG ASP B 223 15.380 7.399 1.080 1.00 22.54 C ATOM 1216 OD1 ASP B 223 16.533 7.019 0.803 1.00 65.52 O ATOM 1217 OD2 ASP B 223 15.011 7.610 2.251 1.00 21.40 O ATOM 0 H ASP B 223 12.921 7.664 -2.004 1.00 11.20 H new ATOM 0 HA ASP B 223 14.939 5.894 -1.203 1.00 54.22 H new ATOM 0 HB2 ASP B 223 14.834 8.352 -0.757 1.00 70.45 H new ATOM 0 HB3 ASP B 223 13.495 8.095 0.344 1.00 70.45 H new ATOM 1222 N GLU B 224 12.121 5.552 0.481 1.00 52.44 N ATOM 1223 CA GLU B 224 11.398 4.671 1.406 1.00 34.14 C ATOM 1224 C GLU B 224 11.110 3.297 0.772 1.00 64.44 C ATOM 1225 O GLU B 224 11.076 2.280 1.466 1.00 60.34 O ATOM 1226 CB GLU B 224 10.109 5.360 1.874 1.00 14.20 C ATOM 1227 CG GLU B 224 10.382 6.609 2.712 1.00 71.15 C ATOM 1228 CD GLU B 224 9.126 7.392 3.070 1.00 42.14 C ATOM 1229 OE1 GLU B 224 8.295 6.874 3.839 1.00 43.23 O ATOM 1230 OE2 GLU B 224 8.981 8.542 2.597 1.00 42.32 O ATOM 0 H GLU B 224 11.561 6.318 0.107 1.00 52.44 H new ATOM 0 HA GLU B 224 12.029 4.486 2.276 1.00 34.14 H new ATOM 0 HB2 GLU B 224 9.511 5.634 1.005 1.00 14.20 H new ATOM 0 HB3 GLU B 224 9.517 4.656 2.459 1.00 14.20 H new ATOM 0 HG2 GLU B 224 10.891 6.316 3.630 1.00 71.15 H new ATOM 0 HG3 GLU B 224 11.063 7.261 2.165 1.00 71.15 H new ATOM 1237 N ILE B 225 10.919 3.271 -0.548 1.00 23.04 N ATOM 1238 CA ILE B 225 10.832 2.009 -1.296 1.00 23.24 C ATOM 1239 C ILE B 225 12.135 1.208 -1.135 1.00 22.00 C ATOM 1240 O ILE B 225 12.122 0.001 -0.871 1.00 54.24 O ATOM 1241 CB ILE B 225 10.572 2.264 -2.809 1.00 72.31 C ATOM 1242 CG1 ILE B 225 9.198 2.926 -3.019 1.00 43.20 C ATOM 1243 CG2 ILE B 225 10.675 0.966 -3.614 1.00 64.10 C ATOM 1244 CD1 ILE B 225 8.884 3.258 -4.467 1.00 3.12 C ATOM 0 H ILE B 225 10.821 4.107 -1.124 1.00 23.04 H new ATOM 0 HA ILE B 225 9.995 1.441 -0.890 1.00 23.24 H new ATOM 0 HB ILE B 225 11.342 2.945 -3.172 1.00 72.31 H new ATOM 0 HG12 ILE B 225 8.424 2.262 -2.634 1.00 43.20 H new ATOM 0 HG13 ILE B 225 9.154 3.842 -2.430 1.00 43.20 H new ATOM 0 HG21 ILE B 225 10.489 1.175 -4.667 1.00 64.10 H new ATOM 0 HG22 ILE B 225 11.674 0.545 -3.499 1.00 64.10 H new ATOM 0 HG23 ILE B 225 9.936 0.252 -3.250 1.00 64.10 H new ATOM 0 HD11 ILE B 225 7.899 3.721 -4.529 1.00 3.12 H new ATOM 0 HD12 ILE B 225 9.634 3.948 -4.853 1.00 3.12 H new ATOM 0 HD13 ILE B 225 8.893 2.344 -5.060 1.00 3.12 H new ATOM 1256 N GLU B 226 13.256 1.907 -1.280 1.00 3.11 N ATOM 1257 CA GLU B 226 14.584 1.310 -1.130 1.00 1.22 C ATOM 1258 C GLU B 226 14.853 0.883 0.327 1.00 42.21 C ATOM 1259 O GLU B 226 15.370 -0.206 0.584 1.00 64.30 O ATOM 1260 CB GLU B 226 15.645 2.310 -1.600 1.00 31.13 C ATOM 1261 CG GLU B 226 17.068 1.778 -1.556 1.00 14.31 C ATOM 1262 CD GLU B 226 18.071 2.788 -2.084 1.00 12.32 C ATOM 1263 OE1 GLU B 226 18.270 2.843 -3.315 1.00 30.13 O ATOM 1264 OE2 GLU B 226 18.654 3.540 -1.276 1.00 43.44 O ATOM 0 H GLU B 226 13.273 2.902 -1.504 1.00 3.11 H new ATOM 0 HA GLU B 226 14.630 0.411 -1.744 1.00 1.22 H new ATOM 0 HB2 GLU B 226 15.414 2.614 -2.621 1.00 31.13 H new ATOM 0 HB3 GLU B 226 15.584 3.204 -0.980 1.00 31.13 H new ATOM 0 HG2 GLU B 226 17.325 1.515 -0.530 1.00 14.31 H new ATOM 0 HG3 GLU B 226 17.131 0.863 -2.145 1.00 14.31 H new ATOM 1271 N ALA B 227 14.494 1.745 1.272 1.00 31.32 N ATOM 1272 CA ALA B 227 14.650 1.445 2.699 1.00 22.14 C ATOM 1273 C ALA B 227 13.808 0.226 3.113 1.00 34.44 C ATOM 1274 O ALA B 227 14.237 -0.596 3.926 1.00 60.41 O ATOM 1275 CB ALA B 227 14.269 2.663 3.535 1.00 65.44 C ATOM 0 H ALA B 227 14.091 2.662 1.079 1.00 31.32 H new ATOM 0 HA ALA B 227 15.697 1.201 2.880 1.00 22.14 H new ATOM 0 HB1 ALA B 227 14.388 2.430 4.593 1.00 65.44 H new ATOM 0 HB2 ALA B 227 14.915 3.501 3.273 1.00 65.44 H new ATOM 0 HB3 ALA B 227 13.231 2.930 3.337 1.00 65.44 H new ATOM 1281 N LEU B 228 12.606 0.114 2.545 1.00 40.51 N ATOM 1282 CA LEU B 228 11.712 -1.012 2.831 1.00 45.13 C ATOM 1283 C LEU B 228 12.312 -2.344 2.349 1.00 3.01 C ATOM 1284 O LEU B 228 12.409 -3.304 3.115 1.00 14.14 O ATOM 1285 CB LEU B 228 10.338 -0.780 2.184 1.00 14.40 C ATOM 1286 CG LEU B 228 9.277 -1.851 2.486 1.00 1.23 C ATOM 1287 CD1 LEU B 228 8.997 -1.934 3.988 1.00 4.44 C ATOM 1288 CD2 LEU B 228 7.992 -1.568 1.711 1.00 61.00 C ATOM 0 H LEU B 228 12.227 0.791 1.882 1.00 40.51 H new ATOM 0 HA LEU B 228 11.589 -1.074 3.912 1.00 45.13 H new ATOM 0 HB2 LEU B 228 9.958 0.187 2.515 1.00 14.40 H new ATOM 0 HB3 LEU B 228 10.470 -0.718 1.104 1.00 14.40 H new ATOM 0 HG LEU B 228 9.667 -2.816 2.162 1.00 1.23 H new ATOM 0 HD11 LEU B 228 8.243 -2.699 4.176 1.00 4.44 H new ATOM 0 HD12 LEU B 228 9.915 -2.192 4.516 1.00 4.44 H new ATOM 0 HD13 LEU B 228 8.633 -0.970 4.344 1.00 4.44 H new ATOM 0 HD21 LEU B 228 7.253 -2.337 1.938 1.00 61.00 H new ATOM 0 HD22 LEU B 228 7.601 -0.592 1.999 1.00 61.00 H new ATOM 0 HD23 LEU B 228 8.204 -1.573 0.642 1.00 61.00 H new ATOM 1300 N LYS B 229 12.739 -2.398 1.084 1.00 51.11 N ATOM 1301 CA LYS B 229 13.333 -3.625 0.526 1.00 23.21 C ATOM 1302 C LYS B 229 14.629 -4.008 1.272 1.00 74.15 C ATOM 1303 O LYS B 229 15.083 -5.151 1.210 1.00 4.03 O ATOM 1304 CB LYS B 229 13.611 -3.467 -0.980 1.00 65.34 C ATOM 1305 CG LYS B 229 14.696 -2.448 -1.316 1.00 13.11 C ATOM 1306 CD LYS B 229 14.979 -2.381 -2.818 1.00 74.44 C ATOM 1307 CE LYS B 229 13.791 -1.841 -3.609 1.00 21.04 C ATOM 1308 NZ LYS B 229 14.067 -1.808 -5.070 1.00 23.42 N ATOM 0 H LYS B 229 12.687 -1.617 0.430 1.00 51.11 H new ATOM 0 HA LYS B 229 12.611 -4.430 0.662 1.00 23.21 H new ATOM 0 HB2 LYS B 229 13.900 -4.436 -1.387 1.00 65.34 H new ATOM 0 HB3 LYS B 229 12.687 -3.174 -1.479 1.00 65.34 H new ATOM 0 HG2 LYS B 229 14.390 -1.464 -0.961 1.00 13.11 H new ATOM 0 HG3 LYS B 229 15.613 -2.707 -0.786 1.00 13.11 H new ATOM 0 HD2 LYS B 229 15.848 -1.747 -2.994 1.00 74.44 H new ATOM 0 HD3 LYS B 229 15.233 -3.377 -3.182 1.00 74.44 H new ATOM 0 HE2 LYS B 229 12.916 -2.462 -3.419 1.00 21.04 H new ATOM 0 HE3 LYS B 229 13.550 -0.836 -3.262 1.00 21.04 H new ATOM 0 HZ1 LYS B 229 13.236 -1.435 -5.572 1.00 23.42 H new ATOM 0 HZ2 LYS B 229 14.887 -1.195 -5.255 1.00 23.42 H new ATOM 0 HZ3 LYS B 229 14.272 -2.771 -5.406 1.00 23.42 H new ATOM 1322 N SER B 230 15.207 -3.041 1.982 1.00 41.13 N ATOM 1323 CA SER B 230 16.424 -3.261 2.780 1.00 34.24 C ATOM 1324 C SER B 230 16.119 -3.943 4.128 1.00 44.30 C ATOM 1325 O SER B 230 17.034 -4.258 4.893 1.00 10.23 O ATOM 1326 CB SER B 230 17.127 -1.912 3.023 1.00 62.43 C ATOM 1327 OG SER B 230 18.241 -2.034 3.900 1.00 51.10 O ATOM 0 H SER B 230 14.852 -2.086 2.024 1.00 41.13 H new ATOM 0 HA SER B 230 17.076 -3.929 2.218 1.00 34.24 H new ATOM 0 HB2 SER B 230 17.461 -1.502 2.070 1.00 62.43 H new ATOM 0 HB3 SER B 230 16.413 -1.203 3.442 1.00 62.43 H new ATOM 0 HG SER B 230 18.139 -2.840 4.448 1.00 51.10 H new ATOM 1333 N ARG B 231 14.837 -4.180 4.419 1.00 70.14 N ATOM 1334 CA ARG B 231 14.435 -4.775 5.704 1.00 71.40 C ATOM 1335 C ARG B 231 13.311 -5.824 5.554 1.00 53.11 C ATOM 1336 O ARG B 231 12.672 -6.203 6.540 1.00 25.11 O ATOM 1337 CB ARG B 231 14.001 -3.660 6.670 1.00 33.40 C ATOM 1338 CG ARG B 231 12.862 -2.785 6.146 1.00 51.25 C ATOM 1339 CD ARG B 231 12.573 -1.608 7.075 1.00 54.32 C ATOM 1340 NE ARG B 231 12.177 -2.044 8.411 1.00 21.42 N ATOM 1341 CZ ARG B 231 12.022 -1.248 9.434 1.00 11.13 C ATOM 1342 NH1 ARG B 231 12.223 0.028 9.317 1.00 54.10 N ATOM 1343 NH2 ARG B 231 11.666 -1.732 10.577 1.00 10.51 N ATOM 0 H ARG B 231 14.062 -3.972 3.790 1.00 70.14 H new ATOM 0 HA ARG B 231 15.300 -5.303 6.105 1.00 71.40 H new ATOM 0 HB2 ARG B 231 13.693 -4.111 7.613 1.00 33.40 H new ATOM 0 HB3 ARG B 231 14.861 -3.026 6.886 1.00 33.40 H new ATOM 0 HG2 ARG B 231 13.119 -2.411 5.155 1.00 51.25 H new ATOM 0 HG3 ARG B 231 11.962 -3.389 6.035 1.00 51.25 H new ATOM 0 HD2 ARG B 231 13.460 -0.979 7.148 1.00 54.32 H new ATOM 0 HD3 ARG B 231 11.781 -0.994 6.645 1.00 54.32 H new ATOM 0 HE ARG B 231 12.010 -3.040 8.555 1.00 21.42 H new ATOM 0 HH11 ARG B 231 12.505 0.420 8.418 1.00 54.10 H new ATOM 0 HH12 ARG B 231 12.099 0.640 10.124 1.00 54.10 H new ATOM 0 HH21 ARG B 231 11.507 -2.734 10.679 1.00 10.51 H new ATOM 0 HH22 ARG B 231 11.544 -1.112 11.378 1.00 10.51 H new ATOM 1357 N VAL B 232 13.091 -6.309 4.331 1.00 73.30 N ATOM 1358 CA VAL B 232 12.060 -7.331 4.069 1.00 30.43 C ATOM 1359 C VAL B 232 12.656 -8.753 4.027 1.00 12.52 C ATOM 1360 O VAL B 232 13.844 -8.929 3.748 1.00 54.01 O ATOM 1361 CB VAL B 232 11.312 -7.060 2.735 1.00 1.01 C ATOM 1362 CG1 VAL B 232 10.514 -5.760 2.809 1.00 50.55 C ATOM 1363 CG2 VAL B 232 12.286 -7.043 1.557 1.00 62.15 C ATOM 0 H VAL B 232 13.609 -6.015 3.503 1.00 73.30 H new ATOM 0 HA VAL B 232 11.354 -7.267 4.897 1.00 30.43 H new ATOM 0 HB VAL B 232 10.606 -7.875 2.573 1.00 1.01 H new ATOM 0 HG11 VAL B 232 10.000 -5.594 1.862 1.00 50.55 H new ATOM 0 HG12 VAL B 232 9.781 -5.828 3.613 1.00 50.55 H new ATOM 0 HG13 VAL B 232 11.191 -4.928 3.005 1.00 50.55 H new ATOM 0 HG21 VAL B 232 11.738 -6.851 0.634 1.00 62.15 H new ATOM 0 HG22 VAL B 232 13.027 -6.258 1.709 1.00 62.15 H new ATOM 0 HG23 VAL B 232 12.789 -8.008 1.487 1.00 62.15 H new ATOM 1373 N PRO B 233 11.836 -9.789 4.323 1.00 51.21 N ATOM 1374 CA PRO B 233 12.268 -11.200 4.245 1.00 74.32 C ATOM 1375 C PRO B 233 12.487 -11.673 2.795 1.00 22.33 C ATOM 1376 O PRO B 233 11.695 -11.368 1.903 1.00 22.51 O ATOM 1377 CB PRO B 233 11.103 -11.979 4.894 1.00 3.31 C ATOM 1378 CG PRO B 233 10.253 -10.947 5.564 1.00 64.42 C ATOM 1379 CD PRO B 233 10.443 -9.679 4.780 1.00 22.31 C ATOM 0 HA PRO B 233 13.227 -11.352 4.741 1.00 74.32 H new ATOM 0 HB2 PRO B 233 10.534 -12.529 4.145 1.00 3.31 H new ATOM 0 HB3 PRO B 233 11.473 -12.710 5.613 1.00 3.31 H new ATOM 0 HG2 PRO B 233 9.206 -11.249 5.570 1.00 64.42 H new ATOM 0 HG3 PRO B 233 10.551 -10.811 6.604 1.00 64.42 H new ATOM 0 HD2 PRO B 233 9.747 -9.611 3.944 1.00 22.31 H new ATOM 0 HD3 PRO B 233 10.288 -8.794 5.397 1.00 22.31 H new ATOM 1387 N ALA B 234 13.545 -12.455 2.577 1.00 41.12 N ATOM 1388 CA ALA B 234 13.916 -12.919 1.231 1.00 65.01 C ATOM 1389 C ALA B 234 12.838 -13.815 0.589 1.00 44.21 C ATOM 1390 O ALA B 234 12.859 -14.057 -0.619 1.00 43.14 O ATOM 1391 CB ALA B 234 15.249 -13.658 1.287 1.00 31.35 C ATOM 0 H ALA B 234 14.166 -12.784 3.317 1.00 41.12 H new ATOM 0 HA ALA B 234 14.007 -12.035 0.600 1.00 65.01 H new ATOM 0 HB1 ALA B 234 15.518 -13.999 0.287 1.00 31.35 H new ATOM 0 HB2 ALA B 234 16.022 -12.987 1.662 1.00 31.35 H new ATOM 0 HB3 ALA B 234 15.161 -14.517 1.952 1.00 31.35 H new ATOM 1397 N ASN B 235 11.901 -14.310 1.399 1.00 43.13 N ATOM 1398 CA ASN B 235 10.818 -15.174 0.902 1.00 64.41 C ATOM 1399 C ASN B 235 9.603 -14.369 0.409 1.00 51.02 C ATOM 1400 O ASN B 235 8.748 -14.900 -0.303 1.00 23.24 O ATOM 1401 CB ASN B 235 10.367 -16.148 2.000 1.00 23.13 C ATOM 1402 CG ASN B 235 11.430 -17.173 2.345 1.00 72.32 C ATOM 1403 OD1 ASN B 235 11.499 -18.243 1.746 1.00 33.43 O ATOM 1404 ND2 ASN B 235 12.257 -16.865 3.317 1.00 34.44 N ATOM 0 H ASN B 235 11.866 -14.130 2.402 1.00 43.13 H new ATOM 0 HA ASN B 235 11.221 -15.726 0.053 1.00 64.41 H new ATOM 0 HB2 ASN B 235 10.107 -15.584 2.896 1.00 23.13 H new ATOM 0 HB3 ASN B 235 9.463 -16.663 1.674 1.00 23.13 H new ATOM 0 HD21 ASN B 235 12.985 -17.523 3.595 1.00 34.44 H new ATOM 0 HD22 ASN B 235 12.172 -15.967 3.794 1.00 34.44 H new ATOM 1411 N THR B 236 9.523 -13.093 0.777 1.00 20.34 N ATOM 1412 CA THR B 236 8.345 -12.274 0.455 1.00 41.13 C ATOM 1413 C THR B 236 8.729 -10.977 -0.269 1.00 52.35 C ATOM 1414 O THR B 236 9.416 -10.123 0.290 1.00 14.15 O ATOM 1415 CB THR B 236 7.530 -11.920 1.728 1.00 72.34 C ATOM 1416 OG1 THR B 236 7.060 -13.119 2.369 1.00 43.12 O ATOM 1417 CG2 THR B 236 6.335 -11.034 1.388 1.00 1.44 C ATOM 0 H THR B 236 10.251 -12.601 1.295 1.00 20.34 H new ATOM 0 HA THR B 236 7.728 -12.879 -0.209 1.00 41.13 H new ATOM 0 HB THR B 236 8.191 -11.376 2.403 1.00 72.34 H new ATOM 0 HG1 THR B 236 6.549 -12.882 3.171 1.00 43.12 H new ATOM 0 HG21 THR B 236 5.783 -10.802 2.299 1.00 1.44 H new ATOM 0 HG22 THR B 236 6.686 -10.109 0.931 1.00 1.44 H new ATOM 0 HG23 THR B 236 5.681 -11.557 0.691 1.00 1.44 H new ATOM 1425 N SER B 237 8.280 -10.840 -1.516 1.00 14.00 N ATOM 1426 CA SER B 237 8.514 -9.616 -2.295 1.00 13.02 C ATOM 1427 C SER B 237 7.775 -8.416 -1.688 1.00 23.22 C ATOM 1428 O SER B 237 6.844 -8.580 -0.897 1.00 61.32 O ATOM 1429 CB SER B 237 8.070 -9.807 -3.751 1.00 3.20 C ATOM 1430 OG SER B 237 8.234 -8.614 -4.505 1.00 1.32 O ATOM 0 H SER B 237 7.752 -11.558 -2.012 1.00 14.00 H new ATOM 0 HA SER B 237 9.585 -9.414 -2.268 1.00 13.02 H new ATOM 0 HB2 SER B 237 8.649 -10.610 -4.207 1.00 3.20 H new ATOM 0 HB3 SER B 237 7.025 -10.114 -3.777 1.00 3.20 H new ATOM 0 HG SER B 237 7.944 -8.768 -5.428 1.00 1.32 H new ATOM 1436 N MET B 238 8.177 -7.212 -2.088 1.00 1.03 N ATOM 1437 CA MET B 238 7.619 -5.979 -1.520 1.00 21.14 C ATOM 1438 C MET B 238 6.098 -5.882 -1.716 1.00 33.13 C ATOM 1439 O MET B 238 5.370 -5.582 -0.775 1.00 30.14 O ATOM 1440 CB MET B 238 8.300 -4.751 -2.129 1.00 3.33 C ATOM 1441 CG MET B 238 9.794 -4.677 -1.853 1.00 54.14 C ATOM 1442 SD MET B 238 10.545 -3.179 -2.520 1.00 71.11 S ATOM 1443 CE MET B 238 9.663 -1.916 -1.604 1.00 11.12 C ATOM 0 H MET B 238 8.888 -7.060 -2.804 1.00 1.03 H new ATOM 0 HA MET B 238 7.813 -6.009 -0.448 1.00 21.14 H new ATOM 0 HB2 MET B 238 8.139 -4.755 -3.207 1.00 3.33 H new ATOM 0 HB3 MET B 238 7.823 -3.852 -1.739 1.00 3.33 H new ATOM 0 HG2 MET B 238 9.964 -4.717 -0.777 1.00 54.14 H new ATOM 0 HG3 MET B 238 10.284 -5.549 -2.286 1.00 54.14 H new ATOM 0 HE1 MET B 238 10.186 -0.964 -1.701 1.00 11.12 H new ATOM 0 HE2 MET B 238 8.653 -1.817 -2.001 1.00 11.12 H new ATOM 0 HE3 MET B 238 9.613 -2.197 -0.552 1.00 11.12 H new ATOM 1453 N SER B 239 5.626 -6.140 -2.935 1.00 70.11 N ATOM 1454 CA SER B 239 4.183 -6.085 -3.234 1.00 1.11 C ATOM 1455 C SER B 239 3.388 -7.044 -2.335 1.00 24.53 C ATOM 1456 O SER B 239 2.409 -6.653 -1.693 1.00 63.53 O ATOM 1457 CB SER B 239 3.925 -6.427 -4.707 1.00 24.21 C ATOM 1458 OG SER B 239 4.404 -7.725 -5.030 1.00 13.53 O ATOM 0 H SER B 239 6.212 -6.388 -3.732 1.00 70.11 H new ATOM 0 HA SER B 239 3.846 -5.067 -3.036 1.00 1.11 H new ATOM 0 HB2 SER B 239 2.856 -6.370 -4.913 1.00 24.21 H new ATOM 0 HB3 SER B 239 4.412 -5.689 -5.344 1.00 24.21 H new ATOM 0 HG SER B 239 4.224 -7.915 -5.974 1.00 13.53 H new ATOM 1464 N ALA B 240 3.828 -8.299 -2.291 1.00 33.31 N ATOM 1465 CA ALA B 240 3.207 -9.317 -1.434 1.00 35.31 C ATOM 1466 C ALA B 240 3.284 -8.931 0.054 1.00 60.22 C ATOM 1467 O ALA B 240 2.411 -9.292 0.848 1.00 2.32 O ATOM 1468 CB ALA B 240 3.870 -10.674 -1.666 1.00 42.14 C ATOM 0 H ALA B 240 4.616 -8.641 -2.840 1.00 33.31 H new ATOM 0 HA ALA B 240 2.153 -9.382 -1.703 1.00 35.31 H new ATOM 0 HB1 ALA B 240 3.402 -11.422 -1.026 1.00 42.14 H new ATOM 0 HB2 ALA B 240 3.750 -10.964 -2.710 1.00 42.14 H new ATOM 0 HB3 ALA B 240 4.932 -10.606 -1.428 1.00 42.14 H new ATOM 1474 N TYR B 241 4.332 -8.197 0.427 1.00 74.22 N ATOM 1475 CA TYR B 241 4.514 -7.763 1.814 1.00 31.44 C ATOM 1476 C TYR B 241 3.574 -6.593 2.155 1.00 32.23 C ATOM 1477 O TYR B 241 2.961 -6.568 3.223 1.00 52.30 O ATOM 1478 CB TYR B 241 5.978 -7.368 2.065 1.00 31.02 C ATOM 1479 CG TYR B 241 6.345 -7.323 3.538 1.00 63.14 C ATOM 1480 CD1 TYR B 241 6.293 -8.479 4.313 1.00 51.02 C ATOM 1481 CD2 TYR B 241 6.730 -6.138 4.158 1.00 2.35 C ATOM 1482 CE1 TYR B 241 6.617 -8.457 5.654 1.00 53.34 C ATOM 1483 CE2 TYR B 241 7.054 -6.111 5.503 1.00 4.35 C ATOM 1484 CZ TYR B 241 6.994 -7.274 6.244 1.00 14.11 C ATOM 1485 OH TYR B 241 7.313 -7.253 7.581 1.00 14.52 O ATOM 0 H TYR B 241 5.067 -7.890 -0.210 1.00 74.22 H new ATOM 0 HA TYR B 241 4.262 -8.599 2.466 1.00 31.44 H new ATOM 0 HB2 TYR B 241 6.631 -8.078 1.557 1.00 31.02 H new ATOM 0 HB3 TYR B 241 6.164 -6.390 1.621 1.00 31.02 H new ATOM 0 HD1 TYR B 241 5.993 -9.410 3.856 1.00 51.02 H new ATOM 0 HD2 TYR B 241 6.777 -5.226 3.581 1.00 2.35 H new ATOM 0 HE1 TYR B 241 6.575 -9.365 6.237 1.00 53.34 H new ATOM 0 HE2 TYR B 241 7.352 -5.184 5.971 1.00 4.35 H new ATOM 0 HH TYR B 241 7.560 -6.342 7.844 1.00 14.52 H new ATOM 1495 N ILE B 242 3.452 -5.629 1.238 1.00 42.22 N ATOM 1496 CA ILE B 242 2.511 -4.511 1.407 1.00 14.53 C ATOM 1497 C ILE B 242 1.081 -5.035 1.611 1.00 23.44 C ATOM 1498 O ILE B 242 0.318 -4.500 2.413 1.00 11.35 O ATOM 1499 CB ILE B 242 2.544 -3.549 0.188 1.00 41.24 C ATOM 1500 CG1 ILE B 242 3.932 -2.896 0.050 1.00 30.01 C ATOM 1501 CG2 ILE B 242 1.455 -2.479 0.301 1.00 53.42 C ATOM 1502 CD1 ILE B 242 4.337 -2.056 1.246 1.00 34.33 C ATOM 0 H ILE B 242 3.990 -5.597 0.372 1.00 42.22 H new ATOM 0 HA ILE B 242 2.822 -3.955 2.292 1.00 14.53 H new ATOM 0 HB ILE B 242 2.347 -4.136 -0.709 1.00 41.24 H new ATOM 0 HG12 ILE B 242 4.677 -3.677 -0.102 1.00 30.01 H new ATOM 0 HG13 ILE B 242 3.941 -2.269 -0.842 1.00 30.01 H new ATOM 0 HG21 ILE B 242 1.501 -1.820 -0.566 1.00 53.42 H new ATOM 0 HG22 ILE B 242 0.477 -2.958 0.340 1.00 53.42 H new ATOM 0 HG23 ILE B 242 1.610 -1.896 1.209 1.00 53.42 H new ATOM 0 HD11 ILE B 242 5.325 -1.630 1.074 1.00 34.33 H new ATOM 0 HD12 ILE B 242 3.615 -1.252 1.387 1.00 34.33 H new ATOM 0 HD13 ILE B 242 4.362 -2.682 2.138 1.00 34.33 H new ATOM 1514 N ARG B 243 0.750 -6.105 0.886 1.00 55.10 N ATOM 1515 CA ARG B 243 -0.544 -6.789 1.019 1.00 52.44 C ATOM 1516 C ARG B 243 -0.889 -7.082 2.492 1.00 5.15 C ATOM 1517 O ARG B 243 -1.970 -6.736 2.972 1.00 12.32 O ATOM 1518 CB ARG B 243 -0.502 -8.103 0.221 1.00 63.41 C ATOM 1519 CG ARG B 243 -1.763 -8.958 0.335 1.00 51.32 C ATOM 1520 CD ARG B 243 -1.590 -10.311 -0.351 1.00 45.42 C ATOM 1521 NE ARG B 243 -0.479 -11.074 0.221 1.00 51.23 N ATOM 1522 CZ ARG B 243 -0.101 -12.257 -0.185 1.00 70.23 C ATOM 1523 NH1 ARG B 243 -0.726 -12.862 -1.146 1.00 10.41 N ATOM 1524 NH2 ARG B 243 0.896 -12.840 0.395 1.00 12.24 N ATOM 0 H ARG B 243 1.368 -6.524 0.191 1.00 55.10 H new ATOM 0 HA ARG B 243 -1.320 -6.132 0.626 1.00 52.44 H new ATOM 0 HB2 ARG B 243 -0.332 -7.869 -0.830 1.00 63.41 H new ATOM 0 HB3 ARG B 243 0.351 -8.691 0.559 1.00 63.41 H new ATOM 0 HG2 ARG B 243 -2.005 -9.111 1.387 1.00 51.32 H new ATOM 0 HG3 ARG B 243 -2.604 -8.428 -0.112 1.00 51.32 H new ATOM 0 HD2 ARG B 243 -2.511 -10.886 -0.258 1.00 45.42 H new ATOM 0 HD3 ARG B 243 -1.416 -10.159 -1.416 1.00 45.42 H new ATOM 0 HE ARG B 243 0.037 -10.651 0.992 1.00 51.23 H new ATOM 0 HH11 ARG B 243 -1.525 -12.415 -1.596 1.00 10.41 H new ATOM 0 HH12 ARG B 243 -0.419 -13.785 -1.452 1.00 10.41 H new ATOM 0 HH21 ARG B 243 1.381 -12.377 1.163 1.00 12.24 H new ATOM 0 HH22 ARG B 243 1.198 -13.764 0.084 1.00 12.24 H new ATOM 1538 N ARG B 244 0.039 -7.713 3.207 1.00 10.44 N ATOM 1539 CA ARG B 244 -0.188 -8.070 4.612 1.00 10.41 C ATOM 1540 C ARG B 244 0.004 -6.865 5.548 1.00 42.42 C ATOM 1541 O ARG B 244 -0.509 -6.854 6.667 1.00 65.33 O ATOM 1542 CB ARG B 244 0.724 -9.231 5.028 1.00 21.23 C ATOM 1543 CG ARG B 244 2.216 -8.928 4.928 1.00 11.44 C ATOM 1544 CD ARG B 244 3.062 -10.140 5.298 1.00 22.32 C ATOM 1545 NE ARG B 244 2.732 -10.646 6.629 1.00 11.40 N ATOM 1546 CZ ARG B 244 3.607 -11.095 7.484 1.00 12.11 C ATOM 1547 NH1 ARG B 244 4.864 -11.137 7.186 1.00 25.34 N ATOM 1548 NH2 ARG B 244 3.218 -11.503 8.644 1.00 42.52 N ATOM 0 H ARG B 244 0.951 -7.988 2.843 1.00 10.44 H new ATOM 0 HA ARG B 244 -1.226 -8.390 4.704 1.00 10.41 H new ATOM 0 HB2 ARG B 244 0.490 -9.510 6.055 1.00 21.23 H new ATOM 0 HB3 ARG B 244 0.499 -10.096 4.404 1.00 21.23 H new ATOM 0 HG2 ARG B 244 2.456 -8.613 3.913 1.00 11.44 H new ATOM 0 HG3 ARG B 244 2.464 -8.096 5.587 1.00 11.44 H new ATOM 0 HD2 ARG B 244 2.909 -10.929 4.561 1.00 22.32 H new ATOM 0 HD3 ARG B 244 4.118 -9.871 5.263 1.00 22.32 H new ATOM 0 HE ARG B 244 1.751 -10.648 6.907 1.00 11.40 H new ATOM 0 HH11 ARG B 244 5.182 -10.816 6.272 1.00 25.34 H new ATOM 0 HH12 ARG B 244 5.538 -11.491 7.865 1.00 25.34 H new ATOM 0 HH21 ARG B 244 2.228 -11.474 8.890 1.00 42.52 H new ATOM 0 HH22 ARG B 244 3.900 -11.855 9.316 1.00 42.52 H new ATOM 1562 N ILE B 245 0.742 -5.850 5.091 1.00 22.25 N ATOM 1563 CA ILE B 245 0.888 -4.604 5.855 1.00 35.02 C ATOM 1564 C ILE B 245 -0.450 -3.849 5.933 1.00 25.43 C ATOM 1565 O ILE B 245 -0.913 -3.491 7.020 1.00 62.11 O ATOM 1566 CB ILE B 245 1.969 -3.670 5.244 1.00 73.01 C ATOM 1567 CG1 ILE B 245 3.368 -4.299 5.380 1.00 53.33 C ATOM 1568 CG2 ILE B 245 1.934 -2.285 5.900 1.00 32.44 C ATOM 1569 CD1 ILE B 245 4.484 -3.447 4.807 1.00 0.10 C ATOM 0 H ILE B 245 1.245 -5.864 4.204 1.00 22.25 H new ATOM 0 HA ILE B 245 1.206 -4.887 6.858 1.00 35.02 H new ATOM 0 HB ILE B 245 1.748 -3.546 4.184 1.00 73.01 H new ATOM 0 HG12 ILE B 245 3.571 -4.485 6.435 1.00 53.33 H new ATOM 0 HG13 ILE B 245 3.370 -5.267 4.880 1.00 53.33 H new ATOM 0 HG21 ILE B 245 2.701 -1.652 5.454 1.00 32.44 H new ATOM 0 HG22 ILE B 245 0.954 -1.833 5.744 1.00 32.44 H new ATOM 0 HG23 ILE B 245 2.122 -2.384 6.969 1.00 32.44 H new ATOM 0 HD11 ILE B 245 5.437 -3.958 4.941 1.00 0.10 H new ATOM 0 HD12 ILE B 245 4.307 -3.282 3.744 1.00 0.10 H new ATOM 0 HD13 ILE B 245 4.511 -2.487 5.323 1.00 0.10 H new ATOM 1581 N ILE B 246 -1.071 -3.620 4.777 1.00 22.32 N ATOM 1582 CA ILE B 246 -2.364 -2.926 4.724 1.00 73.12 C ATOM 1583 C ILE B 246 -3.508 -3.822 5.229 1.00 51.03 C ATOM 1584 O ILE B 246 -4.568 -3.331 5.617 1.00 61.00 O ATOM 1585 CB ILE B 246 -2.680 -2.414 3.293 1.00 34.13 C ATOM 1586 CG1 ILE B 246 -2.736 -3.581 2.291 1.00 50.43 C ATOM 1587 CG2 ILE B 246 -1.642 -1.374 2.861 1.00 31.32 C ATOM 1588 CD1 ILE B 246 -2.953 -3.150 0.853 1.00 42.45 C ATOM 0 H ILE B 246 -0.705 -3.902 3.867 1.00 22.32 H new ATOM 0 HA ILE B 246 -2.285 -2.064 5.387 1.00 73.12 H new ATOM 0 HB ILE B 246 -3.661 -1.939 3.306 1.00 34.13 H new ATOM 0 HG12 ILE B 246 -1.806 -4.145 2.354 1.00 50.43 H new ATOM 0 HG13 ILE B 246 -3.539 -4.258 2.582 1.00 50.43 H new ATOM 0 HG21 ILE B 246 -1.875 -1.023 1.856 1.00 31.32 H new ATOM 0 HG22 ILE B 246 -1.661 -0.532 3.553 1.00 31.32 H new ATOM 0 HG23 ILE B 246 -0.650 -1.826 2.867 1.00 31.32 H new ATOM 0 HD11 ILE B 246 -2.980 -4.030 0.210 1.00 42.45 H new ATOM 0 HD12 ILE B 246 -3.898 -2.612 0.773 1.00 42.45 H new ATOM 0 HD13 ILE B 246 -2.137 -2.498 0.541 1.00 42.45 H new ATOM 1600 N LEU B 247 -3.281 -5.137 5.234 1.00 31.32 N ATOM 1601 CA LEU B 247 -4.243 -6.102 5.794 1.00 30.12 C ATOM 1602 C LEU B 247 -4.639 -5.733 7.235 1.00 25.31 C ATOM 1603 O LEU B 247 -5.819 -5.777 7.598 1.00 22.21 O ATOM 1604 CB LEU B 247 -3.643 -7.514 5.764 1.00 51.52 C ATOM 1605 CG LEU B 247 -4.485 -8.615 6.435 1.00 33.31 C ATOM 1606 CD1 LEU B 247 -5.832 -8.781 5.737 1.00 71.21 C ATOM 1607 CD2 LEU B 247 -3.719 -9.936 6.455 1.00 13.12 C ATOM 0 H LEU B 247 -2.436 -5.565 4.855 1.00 31.32 H new ATOM 0 HA LEU B 247 -5.143 -6.073 5.180 1.00 30.12 H new ATOM 0 HB2 LEU B 247 -3.475 -7.795 4.724 1.00 51.52 H new ATOM 0 HB3 LEU B 247 -2.667 -7.484 6.248 1.00 51.52 H new ATOM 0 HG LEU B 247 -4.679 -8.312 7.464 1.00 33.31 H new ATOM 0 HD11 LEU B 247 -6.404 -9.565 6.233 1.00 71.21 H new ATOM 0 HD12 LEU B 247 -6.385 -7.843 5.785 1.00 71.21 H new ATOM 0 HD13 LEU B 247 -5.670 -9.054 4.694 1.00 71.21 H new ATOM 0 HD21 LEU B 247 -4.329 -10.703 6.933 1.00 13.12 H new ATOM 0 HD22 LEU B 247 -3.489 -10.239 5.433 1.00 13.12 H new ATOM 0 HD23 LEU B 247 -2.791 -9.810 7.013 1.00 13.12 H new ATOM 1619 N ASN B 248 -3.648 -5.359 8.047 1.00 13.22 N ATOM 1620 CA ASN B 248 -3.888 -4.949 9.439 1.00 63.52 C ATOM 1621 C ASN B 248 -4.899 -3.789 9.519 1.00 23.33 C ATOM 1622 O ASN B 248 -5.669 -3.678 10.476 1.00 63.10 O ATOM 1623 CB ASN B 248 -2.571 -4.537 10.107 1.00 72.03 C ATOM 1624 CG ASN B 248 -1.515 -5.618 10.011 1.00 42.43 C ATOM 1625 OD1 ASN B 248 -1.442 -6.510 10.846 1.00 61.13 O ATOM 1626 ND2 ASN B 248 -0.677 -5.542 9.000 1.00 73.42 N ATOM 0 H ASN B 248 -2.668 -5.330 7.767 1.00 13.22 H new ATOM 0 HA ASN B 248 -4.309 -5.804 9.967 1.00 63.52 H new ATOM 0 HB2 ASN B 248 -2.198 -3.626 9.639 1.00 72.03 H new ATOM 0 HB3 ASN B 248 -2.755 -4.304 11.156 1.00 72.03 H new ATOM 0 HD21 ASN B 248 0.060 -6.239 8.895 1.00 73.42 H new ATOM 0 HD22 ASN B 248 -0.764 -4.786 8.321 1.00 73.42 H new ATOM 1633 N HIS B 249 -4.903 -2.951 8.488 1.00 43.02 N ATOM 1634 CA HIS B 249 -5.794 -1.789 8.415 1.00 51.23 C ATOM 1635 C HIS B 249 -7.277 -2.212 8.326 1.00 72.32 C ATOM 1636 O HIS B 249 -8.171 -1.427 8.625 1.00 32.10 O ATOM 1637 CB HIS B 249 -5.402 -0.933 7.198 1.00 32.32 C ATOM 1638 CG HIS B 249 -6.186 0.334 7.031 1.00 51.12 C ATOM 1639 ND1 HIS B 249 -5.764 1.551 7.518 1.00 61.22 N ATOM 1640 CD2 HIS B 249 -7.354 0.578 6.390 1.00 72.13 C ATOM 1641 CE1 HIS B 249 -6.629 2.481 7.180 1.00 42.05 C ATOM 1642 NE2 HIS B 249 -7.603 1.921 6.498 1.00 44.52 N ATOM 0 H HIS B 249 -4.291 -3.054 7.678 1.00 43.02 H new ATOM 0 HA HIS B 249 -5.682 -1.205 9.329 1.00 51.23 H new ATOM 0 HB2 HIS B 249 -4.345 -0.680 7.277 1.00 32.32 H new ATOM 0 HB3 HIS B 249 -5.519 -1.535 6.297 1.00 32.32 H new ATOM 0 HD1 HIS B 249 -4.912 1.707 8.057 1.00 61.22 H new ATOM 0 HD2 HIS B 249 -7.973 -0.150 5.888 1.00 72.13 H new ATOM 0 HE1 HIS B 249 -6.552 3.531 7.422 1.00 42.05 H new ATOM 1651 N LEU B 250 -7.527 -3.457 7.911 1.00 40.21 N ATOM 1652 CA LEU B 250 -8.900 -3.971 7.766 1.00 2.24 C ATOM 1653 C LEU B 250 -9.367 -4.762 9.004 1.00 3.30 C ATOM 1654 O LEU B 250 -10.533 -5.161 9.088 1.00 12.24 O ATOM 1655 CB LEU B 250 -9.014 -4.859 6.512 1.00 60.30 C ATOM 1656 CG LEU B 250 -8.997 -4.122 5.155 1.00 64.44 C ATOM 1657 CD1 LEU B 250 -10.102 -3.068 5.096 1.00 31.31 C ATOM 1658 CD2 LEU B 250 -7.630 -3.496 4.877 1.00 43.41 C ATOM 0 H LEU B 250 -6.800 -4.130 7.669 1.00 40.21 H new ATOM 0 HA LEU B 250 -9.551 -3.103 7.663 1.00 2.24 H new ATOM 0 HB2 LEU B 250 -8.193 -5.576 6.523 1.00 60.30 H new ATOM 0 HB3 LEU B 250 -9.939 -5.432 6.580 1.00 60.30 H new ATOM 0 HG LEU B 250 -9.187 -4.859 4.375 1.00 64.44 H new ATOM 0 HD11 LEU B 250 -10.071 -2.562 4.131 1.00 31.31 H new ATOM 0 HD12 LEU B 250 -11.072 -3.550 5.222 1.00 31.31 H new ATOM 0 HD13 LEU B 250 -9.953 -2.340 5.893 1.00 31.31 H new ATOM 0 HD21 LEU B 250 -7.653 -2.985 3.914 1.00 43.41 H new ATOM 0 HD22 LEU B 250 -7.392 -2.779 5.663 1.00 43.41 H new ATOM 0 HD23 LEU B 250 -6.870 -4.277 4.856 1.00 43.41 H new ATOM 1670 N GLU B 251 -8.466 -5.003 9.960 1.00 71.25 N ATOM 1671 CA GLU B 251 -8.813 -5.767 11.174 1.00 40.43 C ATOM 1672 C GLU B 251 -8.731 -4.908 12.452 1.00 41.54 C ATOM 1673 O GLU B 251 -9.025 -5.388 13.549 1.00 51.12 O ATOM 1674 CB GLU B 251 -7.916 -7.012 11.303 1.00 33.51 C ATOM 1675 CG GLU B 251 -6.423 -6.709 11.308 1.00 42.11 C ATOM 1676 CD GLU B 251 -5.564 -7.963 11.400 1.00 73.40 C ATOM 1677 OE1 GLU B 251 -5.494 -8.717 10.407 1.00 41.14 O ATOM 1678 OE2 GLU B 251 -4.954 -8.201 12.465 1.00 32.21 O ATOM 0 H GLU B 251 -7.497 -4.686 9.924 1.00 71.25 H new ATOM 0 HA GLU B 251 -9.850 -6.084 11.067 1.00 40.43 H new ATOM 0 HB2 GLU B 251 -8.172 -7.536 12.224 1.00 33.51 H new ATOM 0 HB3 GLU B 251 -8.135 -7.690 10.478 1.00 33.51 H new ATOM 0 HG2 GLU B 251 -6.165 -6.164 10.400 1.00 42.11 H new ATOM 0 HG3 GLU B 251 -6.193 -6.055 12.149 1.00 42.11 H new ATOM 1685 N ASP B 252 -8.340 -3.641 12.312 1.00 34.34 N ATOM 1686 CA ASP B 252 -8.287 -2.717 13.457 1.00 41.21 C ATOM 1687 C ASP B 252 -9.458 -1.717 13.418 1.00 62.35 C ATOM 1688 O ASP B 252 -10.272 -1.652 14.345 1.00 13.42 O ATOM 1689 CB ASP B 252 -6.949 -1.967 13.474 1.00 63.25 C ATOM 1690 CG ASP B 252 -6.759 -1.151 14.744 1.00 0.21 C ATOM 1691 OD1 ASP B 252 -7.166 0.029 14.774 1.00 63.32 O ATOM 1692 OD2 ASP B 252 -6.207 -1.692 15.723 1.00 64.42 O ATOM 0 H ASP B 252 -8.056 -3.228 11.424 1.00 34.34 H new ATOM 0 HA ASP B 252 -8.375 -3.306 14.370 1.00 41.21 H new ATOM 0 HB2 ASP B 252 -6.133 -2.683 13.380 1.00 63.25 H new ATOM 0 HB3 ASP B 252 -6.895 -1.306 12.609 1.00 63.25 H new ATOM 1697 N GLU B 253 -9.526 -0.930 12.344 1.00 34.31 N ATOM 1698 CA GLU B 253 -10.630 0.021 12.139 1.00 2.50 C ATOM 1699 C GLU B 253 -11.793 -0.621 11.359 1.00 74.24 C ATOM 1700 O GLU B 253 -11.535 -1.393 10.405 1.00 38.74 O ATOM 1701 CB GLU B 253 -10.140 1.280 11.402 1.00 21.12 C ATOM 1702 CG GLU B 253 -9.423 0.991 10.087 1.00 63.31 C ATOM 1703 CD GLU B 253 -9.244 2.225 9.219 1.00 63.53 C ATOM 1704 OE1 GLU B 253 -8.476 3.128 9.611 1.00 23.12 O ATOM 1705 OE2 GLU B 253 -9.856 2.291 8.132 1.00 10.22 O ATOM 1706 OXT GLU B 253 -12.967 -0.332 11.683 1.00 38.74 O ATOM 0 H GLU B 253 -8.830 -0.929 11.598 1.00 34.31 H new ATOM 0 HA GLU B 253 -10.996 0.307 13.125 1.00 2.50 H new ATOM 0 HB2 GLU B 253 -10.994 1.927 11.203 1.00 21.12 H new ATOM 0 HB3 GLU B 253 -9.467 1.833 12.057 1.00 21.12 H new ATOM 0 HG2 GLU B 253 -8.445 0.560 10.301 1.00 63.31 H new ATOM 0 HG3 GLU B 253 -9.986 0.242 9.531 1.00 63.31 H new TER 1713 GLU B 253