USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 803 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 70 ASN : amide:sc= -0.795 K(o=-1.5,f=-4.2!) USER MOD Set 1.2: A 74 LYS NZ :NH3+ 128:sc= -0.742 (180deg=-0.0501) USER MOD Set 2.1: A 43 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 69 MET CE :methyl -163:sc= -0.0791 (180deg=-0.476) USER MOD Set 3.1: A 23 ASN : amide:sc= -0.138 K(o=0.7,f=-7.3!) USER MOD Set 3.2: A 27 LYS NZ :NH3+ 138:sc= 0.834 (180deg=-0.0484) USER MOD Single : A 9 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00406) USER MOD Single : A 10 LYS NZ :NH3+ 174:sc=-0.000118 (180deg=-0.0515) USER MOD Single : A 12 THR OG1 : rot 67:sc= 0.975 USER MOD Single : A 16 LYS NZ :NH3+ 172:sc= -0.0124 (180deg=-0.0507) USER MOD Single : A 20 GLN : amide:sc= -0.142 K(o=-0.14,f=-0.74) USER MOD Single : A 21 ASN : amide:sc= -0.433 X(o=-0.43,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl 152:sc= -3.6! (180deg=-4.93!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.745 X(o=-0.75,f=-0.42) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 HIS : no HD1:sc= -0.063 K(o=-0.063,f=-0.69) USER MOD Single : A 48 THR OG1 : rot 60:sc= 0.508 USER MOD Single : A 49 MET CE :methyl 170:sc= -0.79 (180deg=-1.15) USER MOD Single : A 50 LYS NZ :NH3+ 144:sc= 0.339 (180deg=-0.295) USER MOD Single : A 53 THR OG1 : rot -90:sc= -2.9! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -128:sc= 0 (180deg=-0.508) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -173:sc=-0.00472 (180deg=-0.0736) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 67 THR OG1 : rot -76:sc= 1.1 USER MOD Single : A 75 MET CE :methyl 173:sc= -1.44 (180deg=-1.57) USER MOD Single : A 77 ASN : amide:sc= -1.26 K(o=-1.3,f=-0.24) USER MOD Single : A 78 SER OG : rot -28:sc= 0.244 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0182) USER MOD Single : A 91 LYS NZ :NH3+ 163:sc= 0.298 (180deg=-0.123) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl -162:sc= -0.124 (180deg=-0.584) USER MOD Single : A 98 THR OG1 : rot 75:sc= -0.0241 USER MOD ----------------------------------------------------------------- ATOM 109 N ILE A 8 -11.303 -0.104 16.190 1.00 51.02 N ATOM 110 CA ILE A 8 -9.897 -0.292 15.764 1.00 33.24 C ATOM 111 C ILE A 8 -9.644 -1.728 15.216 1.00 4.52 C ATOM 112 O ILE A 8 -8.930 -1.889 14.223 1.00 4.14 O ATOM 113 CB ILE A 8 -8.913 0.040 16.958 1.00 12.25 C ATOM 114 CG1 ILE A 8 -9.081 1.538 17.389 1.00 73.22 C ATOM 115 CG2 ILE A 8 -7.432 -0.274 16.602 1.00 33.42 C ATOM 116 CD1 ILE A 8 -8.270 1.963 18.612 1.00 61.03 C ATOM 0 HA ILE A 8 -9.701 0.401 14.946 1.00 33.24 H new ATOM 0 HB ILE A 8 -9.177 -0.604 17.797 1.00 12.25 H new ATOM 0 HG12 ILE A 8 -8.800 2.174 16.549 1.00 73.22 H new ATOM 0 HG13 ILE A 8 -10.136 1.724 17.591 1.00 73.22 H new ATOM 0 HG21 ILE A 8 -6.794 -0.030 17.452 1.00 33.42 H new ATOM 0 HG22 ILE A 8 -7.331 -1.333 16.365 1.00 33.42 H new ATOM 0 HG23 ILE A 8 -7.131 0.321 15.740 1.00 33.42 H new ATOM 0 HD11 ILE A 8 -8.458 3.015 18.825 1.00 61.03 H new ATOM 0 HD12 ILE A 8 -8.564 1.360 19.471 1.00 61.03 H new ATOM 0 HD13 ILE A 8 -7.208 1.817 18.413 1.00 61.03 H new ATOM 128 N LYS A 9 -10.257 -2.752 15.849 1.00 21.55 N ATOM 129 CA LYS A 9 -10.111 -4.178 15.426 1.00 5.41 C ATOM 130 C LYS A 9 -10.696 -4.424 14.011 1.00 13.15 C ATOM 131 O LYS A 9 -10.132 -5.186 13.218 1.00 34.42 O ATOM 132 CB LYS A 9 -10.790 -5.131 16.449 1.00 23.14 C ATOM 133 CG LYS A 9 -10.175 -5.110 17.856 1.00 55.11 C ATOM 134 CD LYS A 9 -10.953 -6.007 18.853 1.00 61.40 C ATOM 135 CE LYS A 9 -10.601 -5.716 20.318 1.00 14.33 C ATOM 136 NZ LYS A 9 -9.152 -5.902 20.607 1.00 70.22 N ATOM 0 H LYS A 9 -10.863 -2.625 16.660 1.00 21.55 H new ATOM 0 HA LYS A 9 -9.043 -4.392 15.392 1.00 5.41 H new ATOM 0 HB2 LYS A 9 -11.845 -4.867 16.525 1.00 23.14 H new ATOM 0 HB3 LYS A 9 -10.743 -6.149 16.062 1.00 23.14 H new ATOM 0 HG2 LYS A 9 -9.139 -5.445 17.802 1.00 55.11 H new ATOM 0 HG3 LYS A 9 -10.160 -4.086 18.228 1.00 55.11 H new ATOM 0 HD2 LYS A 9 -12.023 -5.862 18.706 1.00 61.40 H new ATOM 0 HD3 LYS A 9 -10.741 -7.054 18.634 1.00 61.40 H new ATOM 0 HE2 LYS A 9 -10.887 -4.693 20.560 1.00 14.33 H new ATOM 0 HE3 LYS A 9 -11.184 -6.372 20.965 1.00 14.33 H new ATOM 0 HZ1 LYS A 9 -8.974 -5.726 21.616 1.00 70.22 H new ATOM 0 HZ2 LYS A 9 -8.873 -6.876 20.371 1.00 70.22 H new ATOM 0 HZ3 LYS A 9 -8.596 -5.234 20.036 1.00 70.22 H new ATOM 150 N LYS A 10 -11.841 -3.773 13.718 1.00 40.23 N ATOM 151 CA LYS A 10 -12.469 -3.809 12.371 1.00 15.41 C ATOM 152 C LYS A 10 -11.545 -3.136 11.323 1.00 20.13 C ATOM 153 O LYS A 10 -11.254 -3.733 10.289 1.00 24.31 O ATOM 154 CB LYS A 10 -13.891 -3.145 12.388 1.00 71.51 C ATOM 155 CG LYS A 10 -15.058 -4.077 12.828 1.00 33.43 C ATOM 156 CD LYS A 10 -14.850 -4.716 14.223 1.00 52.13 C ATOM 157 CE LYS A 10 -16.022 -5.608 14.663 1.00 61.24 C ATOM 158 NZ LYS A 10 -16.260 -6.734 13.723 1.00 10.14 N ATOM 0 H LYS A 10 -12.355 -3.212 14.397 1.00 40.23 H new ATOM 0 HA LYS A 10 -12.602 -4.853 12.085 1.00 15.41 H new ATOM 0 HB2 LYS A 10 -13.864 -2.285 13.057 1.00 71.51 H new ATOM 0 HB3 LYS A 10 -14.108 -2.766 11.389 1.00 71.51 H new ATOM 0 HG2 LYS A 10 -15.986 -3.505 12.835 1.00 33.43 H new ATOM 0 HG3 LYS A 10 -15.177 -4.869 12.089 1.00 33.43 H new ATOM 0 HD2 LYS A 10 -13.936 -5.309 14.211 1.00 52.13 H new ATOM 0 HD3 LYS A 10 -14.707 -3.925 14.960 1.00 52.13 H new ATOM 0 HE2 LYS A 10 -15.819 -6.005 15.658 1.00 61.24 H new ATOM 0 HE3 LYS A 10 -16.926 -5.004 14.739 1.00 61.24 H new ATOM 0 HZ1 LYS A 10 -16.991 -7.363 14.113 1.00 10.14 H new ATOM 0 HZ2 LYS A 10 -16.579 -6.360 12.807 1.00 10.14 H new ATOM 0 HZ3 LYS A 10 -15.378 -7.268 13.591 1.00 10.14 H new ATOM 172 N VAL A 11 -11.059 -1.913 11.635 1.00 52.41 N ATOM 173 CA VAL A 11 -10.095 -1.156 10.781 1.00 23.23 C ATOM 174 C VAL A 11 -8.771 -1.955 10.550 1.00 62.45 C ATOM 175 O VAL A 11 -8.137 -1.842 9.492 1.00 22.43 O ATOM 176 CB VAL A 11 -9.789 0.269 11.406 1.00 41.13 C ATOM 177 CG1 VAL A 11 -8.750 1.072 10.576 1.00 41.42 C ATOM 178 CG2 VAL A 11 -11.099 1.085 11.576 1.00 35.04 C ATOM 0 H VAL A 11 -11.320 -1.416 12.486 1.00 52.41 H new ATOM 0 HA VAL A 11 -10.564 -1.014 9.808 1.00 23.23 H new ATOM 0 HB VAL A 11 -9.348 0.097 12.388 1.00 41.13 H new ATOM 0 HG11 VAL A 11 -8.577 2.039 11.048 1.00 41.42 H new ATOM 0 HG12 VAL A 11 -7.813 0.517 10.531 1.00 41.42 H new ATOM 0 HG13 VAL A 11 -9.130 1.224 9.566 1.00 41.42 H new ATOM 0 HG21 VAL A 11 -10.867 2.059 12.006 1.00 35.04 H new ATOM 0 HG22 VAL A 11 -11.572 1.221 10.603 1.00 35.04 H new ATOM 0 HG23 VAL A 11 -11.779 0.548 12.238 1.00 35.04 H new ATOM 188 N THR A 12 -8.390 -2.781 11.546 1.00 24.43 N ATOM 189 CA THR A 12 -7.221 -3.692 11.449 1.00 73.52 C ATOM 190 C THR A 12 -7.454 -4.774 10.361 1.00 61.12 C ATOM 191 O THR A 12 -6.577 -5.023 9.534 1.00 73.14 O ATOM 192 CB THR A 12 -6.898 -4.371 12.834 1.00 31.40 C ATOM 193 OG1 THR A 12 -6.549 -3.364 13.801 1.00 23.30 O ATOM 194 CG2 THR A 12 -5.749 -5.394 12.754 1.00 43.21 C ATOM 0 H THR A 12 -8.879 -2.839 12.439 1.00 24.43 H new ATOM 0 HA THR A 12 -6.360 -3.087 11.163 1.00 73.52 H new ATOM 0 HB THR A 12 -7.799 -4.908 13.132 1.00 31.40 H new ATOM 0 HG1 THR A 12 -7.334 -2.810 13.995 1.00 23.30 H new ATOM 0 HG21 THR A 12 -5.576 -5.825 13.740 1.00 43.21 H new ATOM 0 HG22 THR A 12 -6.015 -6.186 12.053 1.00 43.21 H new ATOM 0 HG23 THR A 12 -4.842 -4.896 12.412 1.00 43.21 H new ATOM 202 N ASP A 13 -8.649 -5.393 10.349 1.00 54.21 N ATOM 203 CA ASP A 13 -9.014 -6.393 9.313 1.00 1.32 C ATOM 204 C ASP A 13 -9.226 -5.738 7.929 1.00 23.24 C ATOM 205 O ASP A 13 -8.993 -6.380 6.903 1.00 1.10 O ATOM 206 CB ASP A 13 -10.250 -7.210 9.739 1.00 31.21 C ATOM 207 CG ASP A 13 -9.961 -8.107 10.950 1.00 51.10 C ATOM 208 OD1 ASP A 13 -9.067 -8.984 10.849 1.00 44.42 O ATOM 209 OD2 ASP A 13 -10.605 -7.940 12.003 1.00 23.22 O ATOM 0 H ASP A 13 -9.380 -5.223 11.040 1.00 54.21 H new ATOM 0 HA ASP A 13 -8.174 -7.080 9.218 1.00 1.32 H new ATOM 0 HB2 ASP A 13 -11.068 -6.531 9.979 1.00 31.21 H new ATOM 0 HB3 ASP A 13 -10.582 -7.826 8.903 1.00 31.21 H new ATOM 214 N GLU A 14 -9.673 -4.466 7.915 1.00 43.24 N ATOM 215 CA GLU A 14 -9.764 -3.653 6.674 1.00 55.33 C ATOM 216 C GLU A 14 -8.357 -3.359 6.102 1.00 42.12 C ATOM 217 O GLU A 14 -8.201 -3.185 4.896 1.00 61.42 O ATOM 218 CB GLU A 14 -10.525 -2.323 6.937 1.00 0.22 C ATOM 219 CG GLU A 14 -11.970 -2.497 7.443 1.00 72.14 C ATOM 220 CD GLU A 14 -12.897 -3.242 6.454 1.00 74.41 C ATOM 221 OE1 GLU A 14 -13.511 -2.584 5.589 1.00 14.15 O ATOM 222 OE2 GLU A 14 -13.008 -4.491 6.540 1.00 2.32 O ATOM 0 H GLU A 14 -9.980 -3.972 8.753 1.00 43.24 H new ATOM 0 HA GLU A 14 -10.322 -4.231 5.938 1.00 55.33 H new ATOM 0 HB2 GLU A 14 -9.966 -1.739 7.668 1.00 0.22 H new ATOM 0 HB3 GLU A 14 -10.545 -1.743 6.014 1.00 0.22 H new ATOM 0 HG2 GLU A 14 -11.950 -3.041 8.387 1.00 72.14 H new ATOM 0 HG3 GLU A 14 -12.392 -1.514 7.651 1.00 72.14 H new ATOM 229 N LEU A 15 -7.354 -3.304 6.996 1.00 2.03 N ATOM 230 CA LEU A 15 -5.926 -3.176 6.630 1.00 20.20 C ATOM 231 C LEU A 15 -5.406 -4.470 5.934 1.00 3.14 C ATOM 232 O LEU A 15 -4.619 -4.386 4.996 1.00 42.10 O ATOM 233 CB LEU A 15 -5.105 -2.781 7.908 1.00 53.11 C ATOM 234 CG LEU A 15 -3.528 -2.761 7.820 1.00 22.05 C ATOM 235 CD1 LEU A 15 -2.921 -1.709 8.783 1.00 55.44 C ATOM 236 CD2 LEU A 15 -2.923 -4.157 8.129 1.00 55.24 C ATOM 0 H LEU A 15 -7.510 -3.347 8.003 1.00 2.03 H new ATOM 0 HA LEU A 15 -5.797 -2.381 5.895 1.00 20.20 H new ATOM 0 HB2 LEU A 15 -5.431 -1.788 8.217 1.00 53.11 H new ATOM 0 HB3 LEU A 15 -5.383 -3.470 8.705 1.00 53.11 H new ATOM 0 HG LEU A 15 -3.274 -2.488 6.796 1.00 22.05 H new ATOM 0 HD11 LEU A 15 -1.834 -1.721 8.697 1.00 55.44 H new ATOM 0 HD12 LEU A 15 -3.294 -0.719 8.522 1.00 55.44 H new ATOM 0 HD13 LEU A 15 -3.207 -1.946 9.808 1.00 55.44 H new ATOM 0 HD21 LEU A 15 -1.836 -4.106 8.059 1.00 55.24 H new ATOM 0 HD22 LEU A 15 -3.208 -4.462 9.136 1.00 55.24 H new ATOM 0 HD23 LEU A 15 -3.299 -4.884 7.409 1.00 55.24 H new ATOM 248 N LYS A 16 -5.849 -5.667 6.392 1.00 54.25 N ATOM 249 CA LYS A 16 -5.537 -6.952 5.688 1.00 51.42 C ATOM 250 C LYS A 16 -6.293 -7.053 4.333 1.00 4.42 C ATOM 251 O LYS A 16 -5.732 -7.535 3.342 1.00 22.33 O ATOM 252 CB LYS A 16 -5.843 -8.208 6.571 1.00 21.20 C ATOM 253 CG LYS A 16 -4.669 -8.714 7.460 1.00 40.21 C ATOM 254 CD LYS A 16 -4.433 -7.884 8.741 1.00 23.34 C ATOM 255 CE LYS A 16 -5.620 -7.952 9.720 1.00 15.41 C ATOM 256 NZ LYS A 16 -6.006 -9.339 10.099 1.00 11.45 N ATOM 0 H LYS A 16 -6.416 -5.777 7.233 1.00 54.25 H new ATOM 0 HA LYS A 16 -4.465 -6.941 5.492 1.00 51.42 H new ATOM 0 HB2 LYS A 16 -6.690 -7.977 7.217 1.00 21.20 H new ATOM 0 HB3 LYS A 16 -6.155 -9.022 5.916 1.00 21.20 H new ATOM 0 HG2 LYS A 16 -4.864 -9.748 7.743 1.00 40.21 H new ATOM 0 HG3 LYS A 16 -3.754 -8.713 6.867 1.00 40.21 H new ATOM 0 HD2 LYS A 16 -3.534 -8.243 9.241 1.00 23.34 H new ATOM 0 HD3 LYS A 16 -4.252 -6.845 8.467 1.00 23.34 H new ATOM 0 HE2 LYS A 16 -5.367 -7.395 10.622 1.00 15.41 H new ATOM 0 HE3 LYS A 16 -6.480 -7.456 9.270 1.00 15.41 H new ATOM 0 HZ1 LYS A 16 -6.716 -9.307 10.858 1.00 11.45 H new ATOM 0 HZ2 LYS A 16 -6.406 -9.826 9.272 1.00 11.45 H new ATOM 0 HZ3 LYS A 16 -5.166 -9.854 10.432 1.00 11.45 H new ATOM 270 N GLU A 17 -7.561 -6.594 4.311 1.00 40.53 N ATOM 271 CA GLU A 17 -8.371 -6.450 3.061 1.00 62.30 C ATOM 272 C GLU A 17 -7.685 -5.512 2.053 1.00 40.01 C ATOM 273 O GLU A 17 -7.816 -5.663 0.833 1.00 33.52 O ATOM 274 CB GLU A 17 -9.789 -5.911 3.398 1.00 51.41 C ATOM 275 CG GLU A 17 -10.716 -6.910 4.116 1.00 73.32 C ATOM 276 CD GLU A 17 -11.120 -8.098 3.227 1.00 35.45 C ATOM 277 OE1 GLU A 17 -11.837 -7.875 2.227 1.00 41.20 O ATOM 278 OE2 GLU A 17 -10.711 -9.249 3.504 1.00 65.21 O ATOM 0 H GLU A 17 -8.062 -6.310 5.153 1.00 40.53 H new ATOM 0 HA GLU A 17 -8.457 -7.437 2.606 1.00 62.30 H new ATOM 0 HB2 GLU A 17 -9.684 -5.024 4.022 1.00 51.41 H new ATOM 0 HB3 GLU A 17 -10.270 -5.594 2.472 1.00 51.41 H new ATOM 0 HG2 GLU A 17 -10.216 -7.285 5.009 1.00 73.32 H new ATOM 0 HG3 GLU A 17 -11.614 -6.390 4.449 1.00 73.32 H new ATOM 285 N LEU A 18 -6.949 -4.563 2.598 1.00 41.03 N ATOM 286 CA LEU A 18 -6.206 -3.568 1.834 1.00 74.12 C ATOM 287 C LEU A 18 -4.924 -4.183 1.230 1.00 55.40 C ATOM 288 O LEU A 18 -4.650 -4.005 0.051 1.00 65.14 O ATOM 289 CB LEU A 18 -5.899 -2.375 2.788 1.00 73.40 C ATOM 290 CG LEU A 18 -5.949 -0.949 2.182 1.00 74.52 C ATOM 291 CD1 LEU A 18 -7.163 -0.779 1.250 1.00 0.25 C ATOM 292 CD2 LEU A 18 -5.977 0.094 3.317 1.00 41.05 C ATOM 0 H LEU A 18 -6.846 -4.456 3.607 1.00 41.03 H new ATOM 0 HA LEU A 18 -6.793 -3.211 0.988 1.00 74.12 H new ATOM 0 HB2 LEU A 18 -6.607 -2.415 3.616 1.00 73.40 H new ATOM 0 HB3 LEU A 18 -4.906 -2.528 3.210 1.00 73.40 H new ATOM 0 HG LEU A 18 -5.054 -0.795 1.579 1.00 74.52 H new ATOM 0 HD11 LEU A 18 -7.169 0.231 0.841 1.00 0.25 H new ATOM 0 HD12 LEU A 18 -7.100 -1.500 0.435 1.00 0.25 H new ATOM 0 HD13 LEU A 18 -8.081 -0.948 1.813 1.00 0.25 H new ATOM 0 HD21 LEU A 18 -6.012 1.096 2.890 1.00 41.05 H new ATOM 0 HD22 LEU A 18 -6.859 -0.067 3.937 1.00 41.05 H new ATOM 0 HD23 LEU A 18 -5.080 -0.009 3.928 1.00 41.05 H new ATOM 304 N ILE A 19 -4.171 -4.936 2.056 1.00 50.52 N ATOM 305 CA ILE A 19 -2.931 -5.630 1.628 1.00 74.22 C ATOM 306 C ILE A 19 -3.206 -6.654 0.498 1.00 44.13 C ATOM 307 O ILE A 19 -2.523 -6.635 -0.519 1.00 13.00 O ATOM 308 CB ILE A 19 -2.229 -6.357 2.844 1.00 20.23 C ATOM 309 CG1 ILE A 19 -1.766 -5.319 3.921 1.00 34.21 C ATOM 310 CG2 ILE A 19 -1.038 -7.244 2.386 1.00 52.12 C ATOM 311 CD1 ILE A 19 -1.202 -5.929 5.198 1.00 3.43 C ATOM 0 H ILE A 19 -4.401 -5.083 3.039 1.00 50.52 H new ATOM 0 HA ILE A 19 -2.261 -4.862 1.242 1.00 74.22 H new ATOM 0 HB ILE A 19 -2.969 -7.018 3.294 1.00 20.23 H new ATOM 0 HG12 ILE A 19 -1.008 -4.672 3.479 1.00 34.21 H new ATOM 0 HG13 ILE A 19 -2.614 -4.685 4.182 1.00 34.21 H new ATOM 0 HG21 ILE A 19 -0.586 -7.723 3.254 1.00 52.12 H new ATOM 0 HG22 ILE A 19 -1.397 -8.007 1.696 1.00 52.12 H new ATOM 0 HG23 ILE A 19 -0.294 -6.624 1.886 1.00 52.12 H new ATOM 0 HD11 ILE A 19 -0.909 -5.133 5.883 1.00 3.43 H new ATOM 0 HD12 ILE A 19 -1.962 -6.552 5.670 1.00 3.43 H new ATOM 0 HD13 ILE A 19 -0.331 -6.539 4.956 1.00 3.43 H new ATOM 323 N GLN A 20 -4.222 -7.525 0.680 1.00 71.13 N ATOM 324 CA GLN A 20 -4.552 -8.590 -0.306 1.00 11.01 C ATOM 325 C GLN A 20 -4.987 -7.987 -1.662 1.00 12.44 C ATOM 326 O GLN A 20 -4.646 -8.514 -2.727 1.00 3.21 O ATOM 327 CB GLN A 20 -5.667 -9.533 0.231 1.00 43.42 C ATOM 328 CG GLN A 20 -7.039 -8.853 0.446 1.00 54.51 C ATOM 329 CD GLN A 20 -8.080 -9.736 1.137 1.00 21.32 C ATOM 330 OE1 GLN A 20 -7.746 -10.593 1.948 1.00 53.33 O ATOM 331 NE2 GLN A 20 -9.347 -9.524 0.832 1.00 61.23 N ATOM 0 H GLN A 20 -4.831 -7.516 1.499 1.00 71.13 H new ATOM 0 HA GLN A 20 -3.644 -9.174 -0.459 1.00 11.01 H new ATOM 0 HB2 GLN A 20 -5.792 -10.360 -0.468 1.00 43.42 H new ATOM 0 HB3 GLN A 20 -5.337 -9.962 1.177 1.00 43.42 H new ATOM 0 HG2 GLN A 20 -6.894 -7.950 1.039 1.00 54.51 H new ATOM 0 HG3 GLN A 20 -7.431 -8.539 -0.521 1.00 54.51 H new ATOM 0 HE21 GLN A 20 -9.595 -8.804 0.153 1.00 61.23 H new ATOM 0 HE22 GLN A 20 -10.078 -10.080 1.275 1.00 61.23 H new ATOM 340 N ASN A 21 -5.716 -6.855 -1.592 1.00 51.20 N ATOM 341 CA ASN A 21 -6.262 -6.183 -2.778 1.00 13.24 C ATOM 342 C ASN A 21 -5.115 -5.501 -3.563 1.00 15.13 C ATOM 343 O ASN A 21 -4.954 -5.740 -4.752 1.00 60.25 O ATOM 344 CB ASN A 21 -7.354 -5.148 -2.357 1.00 3.04 C ATOM 345 CG ASN A 21 -8.397 -4.815 -3.442 1.00 3.20 C ATOM 346 OD1 ASN A 21 -9.539 -4.496 -3.125 1.00 62.20 O ATOM 347 ND2 ASN A 21 -8.041 -4.881 -4.713 1.00 75.12 N ATOM 0 H ASN A 21 -5.939 -6.386 -0.714 1.00 51.20 H new ATOM 0 HA ASN A 21 -6.734 -6.919 -3.428 1.00 13.24 H new ATOM 0 HB2 ASN A 21 -7.876 -5.531 -1.480 1.00 3.04 H new ATOM 0 HB3 ASN A 21 -6.859 -4.225 -2.056 1.00 3.04 H new ATOM 0 HD21 ASN A 21 -8.719 -4.665 -5.444 1.00 75.12 H new ATOM 0 HD22 ASN A 21 -7.089 -5.147 -4.963 1.00 75.12 H new ATOM 354 N VAL A 22 -4.309 -4.683 -2.854 1.00 44.34 N ATOM 355 CA VAL A 22 -3.117 -4.002 -3.425 1.00 62.14 C ATOM 356 C VAL A 22 -2.120 -5.020 -4.024 1.00 51.01 C ATOM 357 O VAL A 22 -1.627 -4.819 -5.118 1.00 30.32 O ATOM 358 CB VAL A 22 -2.395 -3.107 -2.337 1.00 72.02 C ATOM 359 CG1 VAL A 22 -1.033 -2.551 -2.815 1.00 45.12 C ATOM 360 CG2 VAL A 22 -3.306 -1.949 -1.895 1.00 63.22 C ATOM 0 H VAL A 22 -4.463 -4.473 -1.868 1.00 44.34 H new ATOM 0 HA VAL A 22 -3.469 -3.354 -4.228 1.00 62.14 H new ATOM 0 HB VAL A 22 -2.194 -3.761 -1.489 1.00 72.02 H new ATOM 0 HG11 VAL A 22 -0.589 -1.946 -2.024 1.00 45.12 H new ATOM 0 HG12 VAL A 22 -0.366 -3.379 -3.056 1.00 45.12 H new ATOM 0 HG13 VAL A 22 -1.182 -1.935 -3.702 1.00 45.12 H new ATOM 0 HG21 VAL A 22 -2.791 -1.346 -1.147 1.00 63.22 H new ATOM 0 HG22 VAL A 22 -3.549 -1.328 -2.757 1.00 63.22 H new ATOM 0 HG23 VAL A 22 -4.224 -2.351 -1.467 1.00 63.22 H new ATOM 370 N ASN A 23 -1.880 -6.131 -3.308 1.00 22.42 N ATOM 371 CA ASN A 23 -0.907 -7.180 -3.719 1.00 34.40 C ATOM 372 C ASN A 23 -1.352 -7.856 -5.037 1.00 1.44 C ATOM 373 O ASN A 23 -0.531 -8.140 -5.909 1.00 2.33 O ATOM 374 CB ASN A 23 -0.747 -8.239 -2.580 1.00 43.33 C ATOM 375 CG ASN A 23 0.595 -8.987 -2.600 1.00 53.35 C ATOM 376 OD1 ASN A 23 1.166 -9.251 -3.654 1.00 41.40 O ATOM 377 ND2 ASN A 23 1.106 -9.333 -1.428 1.00 54.53 N ATOM 0 H ASN A 23 -2.351 -6.336 -2.426 1.00 22.42 H new ATOM 0 HA ASN A 23 0.060 -6.708 -3.895 1.00 34.40 H new ATOM 0 HB2 ASN A 23 -0.858 -7.740 -1.617 1.00 43.33 H new ATOM 0 HB3 ASN A 23 -1.556 -8.965 -2.658 1.00 43.33 H new ATOM 0 HD21 ASN A 23 1.995 -9.831 -1.386 1.00 54.53 H new ATOM 0 HD22 ASN A 23 0.611 -9.101 -0.567 1.00 54.53 H new ATOM 384 N ASP A 24 -2.664 -8.109 -5.149 1.00 61.24 N ATOM 385 CA ASP A 24 -3.285 -8.691 -6.362 1.00 34.34 C ATOM 386 C ASP A 24 -3.249 -7.686 -7.551 1.00 45.11 C ATOM 387 O ASP A 24 -2.979 -8.070 -8.692 1.00 11.41 O ATOM 388 CB ASP A 24 -4.740 -9.121 -6.038 1.00 20.33 C ATOM 389 CG ASP A 24 -5.429 -9.844 -7.207 1.00 44.52 C ATOM 390 OD1 ASP A 24 -5.157 -11.048 -7.415 1.00 54.21 O ATOM 391 OD2 ASP A 24 -6.230 -9.217 -7.931 1.00 73.22 O ATOM 0 H ASP A 24 -3.332 -7.917 -4.402 1.00 61.24 H new ATOM 0 HA ASP A 24 -2.714 -9.568 -6.666 1.00 34.34 H new ATOM 0 HB2 ASP A 24 -4.734 -9.776 -5.167 1.00 20.33 H new ATOM 0 HB3 ASP A 24 -5.322 -8.239 -5.770 1.00 20.33 H new ATOM 396 N ASP A 25 -3.523 -6.400 -7.256 1.00 30.24 N ATOM 397 CA ASP A 25 -3.450 -5.299 -8.249 1.00 2.42 C ATOM 398 C ASP A 25 -2.003 -5.058 -8.750 1.00 3.52 C ATOM 399 O ASP A 25 -1.807 -4.717 -9.915 1.00 30.41 O ATOM 400 CB ASP A 25 -4.050 -3.990 -7.658 1.00 75.15 C ATOM 401 CG ASP A 25 -5.586 -3.937 -7.737 1.00 51.32 C ATOM 402 OD1 ASP A 25 -6.261 -4.684 -7.006 1.00 73.04 O ATOM 403 OD2 ASP A 25 -6.131 -3.151 -8.545 1.00 63.51 O ATOM 0 H ASP A 25 -3.801 -6.091 -6.325 1.00 30.24 H new ATOM 0 HA ASP A 25 -4.043 -5.602 -9.112 1.00 2.42 H new ATOM 0 HB2 ASP A 25 -3.743 -3.895 -6.616 1.00 75.15 H new ATOM 0 HB3 ASP A 25 -3.636 -3.135 -8.192 1.00 75.15 H new ATOM 408 N ILE A 26 -0.998 -5.236 -7.866 1.00 15.15 N ATOM 409 CA ILE A 26 0.432 -5.137 -8.255 1.00 1.10 C ATOM 410 C ILE A 26 0.813 -6.310 -9.193 1.00 72.23 C ATOM 411 O ILE A 26 1.608 -6.129 -10.109 1.00 64.32 O ATOM 412 CB ILE A 26 1.403 -5.085 -7.005 1.00 74.02 C ATOM 413 CG1 ILE A 26 1.139 -3.809 -6.136 1.00 24.41 C ATOM 414 CG2 ILE A 26 2.891 -5.133 -7.438 1.00 11.31 C ATOM 415 CD1 ILE A 26 1.926 -3.743 -4.833 1.00 74.41 C ATOM 0 H ILE A 26 -1.146 -5.449 -6.880 1.00 15.15 H new ATOM 0 HA ILE A 26 0.556 -4.194 -8.787 1.00 1.10 H new ATOM 0 HB ILE A 26 1.194 -5.968 -6.401 1.00 74.02 H new ATOM 0 HG12 ILE A 26 1.376 -2.927 -6.731 1.00 24.41 H new ATOM 0 HG13 ILE A 26 0.075 -3.760 -5.903 1.00 24.41 H new ATOM 0 HG21 ILE A 26 3.528 -5.095 -6.555 1.00 11.31 H new ATOM 0 HG22 ILE A 26 3.081 -6.057 -7.984 1.00 11.31 H new ATOM 0 HG23 ILE A 26 3.111 -4.280 -8.080 1.00 11.31 H new ATOM 0 HD11 ILE A 26 1.675 -2.824 -4.303 1.00 74.41 H new ATOM 0 HD12 ILE A 26 1.673 -4.602 -4.211 1.00 74.41 H new ATOM 0 HD13 ILE A 26 2.994 -3.756 -5.052 1.00 74.41 H new ATOM 427 N LYS A 27 0.208 -7.503 -8.974 1.00 61.14 N ATOM 428 CA LYS A 27 0.350 -8.663 -9.900 1.00 1.44 C ATOM 429 C LYS A 27 -0.263 -8.336 -11.280 1.00 2.50 C ATOM 430 O LYS A 27 0.271 -8.730 -12.319 1.00 40.23 O ATOM 431 CB LYS A 27 -0.325 -9.936 -9.331 1.00 23.15 C ATOM 432 CG LYS A 27 0.258 -10.445 -7.999 1.00 65.51 C ATOM 433 CD LYS A 27 -0.485 -11.703 -7.486 1.00 15.15 C ATOM 434 CE LYS A 27 -0.025 -12.145 -6.088 1.00 61.43 C ATOM 435 NZ LYS A 27 -0.357 -11.134 -5.048 1.00 14.42 N ATOM 0 H LYS A 27 -0.384 -7.691 -8.165 1.00 61.14 H new ATOM 0 HA LYS A 27 1.417 -8.856 -10.009 1.00 1.44 H new ATOM 0 HB2 LYS A 27 -1.387 -9.734 -9.191 1.00 23.15 H new ATOM 0 HB3 LYS A 27 -0.247 -10.732 -10.072 1.00 23.15 H new ATOM 0 HG2 LYS A 27 1.315 -10.676 -8.130 1.00 65.51 H new ATOM 0 HG3 LYS A 27 0.195 -9.656 -7.250 1.00 65.51 H new ATOM 0 HD2 LYS A 27 -1.556 -11.501 -7.463 1.00 15.15 H new ATOM 0 HD3 LYS A 27 -0.330 -12.521 -8.189 1.00 15.15 H new ATOM 0 HE2 LYS A 27 -0.496 -13.095 -5.834 1.00 61.43 H new ATOM 0 HE3 LYS A 27 1.051 -12.316 -6.097 1.00 61.43 H new ATOM 0 HZ1 LYS A 27 -0.713 -11.615 -4.197 1.00 14.42 H new ATOM 0 HZ2 LYS A 27 0.497 -10.591 -4.807 1.00 14.42 H new ATOM 0 HZ3 LYS A 27 -1.087 -10.488 -5.412 1.00 14.42 H new ATOM 449 N GLU A 28 -1.395 -7.611 -11.264 1.00 61.50 N ATOM 450 CA GLU A 28 -2.044 -7.090 -12.490 1.00 13.04 C ATOM 451 C GLU A 28 -1.155 -6.047 -13.214 1.00 44.12 C ATOM 452 O GLU A 28 -1.307 -5.833 -14.416 1.00 43.22 O ATOM 453 CB GLU A 28 -3.441 -6.493 -12.163 1.00 54.53 C ATOM 454 CG GLU A 28 -4.526 -7.530 -11.793 1.00 23.11 C ATOM 455 CD GLU A 28 -4.916 -8.453 -12.969 1.00 64.42 C ATOM 456 OE1 GLU A 28 -5.405 -7.936 -14.001 1.00 33.42 O ATOM 457 OE2 GLU A 28 -4.757 -9.691 -12.866 1.00 45.11 O ATOM 0 H GLU A 28 -1.889 -7.368 -10.405 1.00 61.50 H new ATOM 0 HA GLU A 28 -2.178 -7.931 -13.170 1.00 13.04 H new ATOM 0 HB2 GLU A 28 -3.334 -5.791 -11.336 1.00 54.53 H new ATOM 0 HB3 GLU A 28 -3.785 -5.921 -13.025 1.00 54.53 H new ATOM 0 HG2 GLU A 28 -4.167 -8.141 -10.964 1.00 23.11 H new ATOM 0 HG3 GLU A 28 -5.415 -7.006 -11.441 1.00 23.11 H new ATOM 464 N VAL A 29 -0.263 -5.366 -12.464 1.00 24.24 N ATOM 465 CA VAL A 29 0.782 -4.505 -13.061 1.00 51.32 C ATOM 466 C VAL A 29 2.001 -5.343 -13.569 1.00 62.22 C ATOM 467 O VAL A 29 2.619 -5.007 -14.579 1.00 51.53 O ATOM 468 CB VAL A 29 1.298 -3.402 -12.079 1.00 34.54 C ATOM 469 CG1 VAL A 29 2.199 -2.422 -12.837 1.00 52.32 C ATOM 470 CG2 VAL A 29 0.143 -2.643 -11.384 1.00 51.40 C ATOM 0 H VAL A 29 -0.245 -5.395 -11.445 1.00 24.24 H new ATOM 0 HA VAL A 29 0.300 -4.012 -13.905 1.00 51.32 H new ATOM 0 HB VAL A 29 1.868 -3.898 -11.293 1.00 34.54 H new ATOM 0 HG11 VAL A 29 2.558 -1.654 -12.152 1.00 52.32 H new ATOM 0 HG12 VAL A 29 3.049 -2.960 -13.257 1.00 52.32 H new ATOM 0 HG13 VAL A 29 1.632 -1.954 -13.642 1.00 52.32 H new ATOM 0 HG21 VAL A 29 0.555 -1.889 -10.713 1.00 51.40 H new ATOM 0 HG22 VAL A 29 -0.479 -2.158 -12.137 1.00 51.40 H new ATOM 0 HG23 VAL A 29 -0.462 -3.346 -10.812 1.00 51.40 H new ATOM 480 N GLU A 30 2.354 -6.429 -12.853 1.00 33.35 N ATOM 481 CA GLU A 30 3.371 -7.420 -13.330 1.00 1.54 C ATOM 482 C GLU A 30 2.909 -8.045 -14.672 1.00 21.41 C ATOM 483 O GLU A 30 3.714 -8.505 -15.486 1.00 24.15 O ATOM 484 CB GLU A 30 3.583 -8.543 -12.274 1.00 63.03 C ATOM 485 CG GLU A 30 4.093 -8.043 -10.896 1.00 52.23 C ATOM 486 CD GLU A 30 4.306 -9.160 -9.846 1.00 25.40 C ATOM 487 OE1 GLU A 30 5.174 -10.040 -10.071 1.00 74.42 O ATOM 488 OE2 GLU A 30 3.624 -9.161 -8.787 1.00 51.32 O ATOM 0 H GLU A 30 1.956 -6.653 -11.941 1.00 33.35 H new ATOM 0 HA GLU A 30 4.317 -6.899 -13.478 1.00 1.54 H new ATOM 0 HB2 GLU A 30 2.640 -9.070 -12.129 1.00 63.03 H new ATOM 0 HB3 GLU A 30 4.295 -9.267 -12.670 1.00 63.03 H new ATOM 0 HG2 GLU A 30 5.035 -7.514 -11.042 1.00 52.23 H new ATOM 0 HG3 GLU A 30 3.380 -7.320 -10.499 1.00 52.23 H new ATOM 495 N LYS A 31 1.582 -8.047 -14.850 1.00 53.34 N ATOM 496 CA LYS A 31 0.893 -8.457 -16.073 1.00 41.32 C ATOM 497 C LYS A 31 0.897 -7.308 -17.134 1.00 51.25 C ATOM 498 O LYS A 31 1.289 -7.513 -18.290 1.00 20.04 O ATOM 499 CB LYS A 31 -0.560 -8.838 -15.684 1.00 3.31 C ATOM 500 CG LYS A 31 -1.364 -9.515 -16.793 1.00 70.54 C ATOM 501 CD LYS A 31 -2.858 -9.698 -16.423 1.00 1.55 C ATOM 502 CE LYS A 31 -3.685 -10.258 -17.592 1.00 33.53 C ATOM 503 NZ LYS A 31 -5.111 -10.459 -17.228 1.00 62.21 N ATOM 0 H LYS A 31 0.938 -7.751 -14.117 1.00 53.34 H new ATOM 0 HA LYS A 31 1.404 -9.307 -16.524 1.00 41.32 H new ATOM 0 HB2 LYS A 31 -0.528 -9.503 -14.821 1.00 3.31 H new ATOM 0 HB3 LYS A 31 -1.086 -7.936 -15.372 1.00 3.31 H new ATOM 0 HG2 LYS A 31 -1.290 -8.921 -17.704 1.00 70.54 H new ATOM 0 HG3 LYS A 31 -0.926 -10.489 -17.011 1.00 70.54 H new ATOM 0 HD2 LYS A 31 -2.939 -10.371 -15.569 1.00 1.55 H new ATOM 0 HD3 LYS A 31 -3.273 -8.739 -16.114 1.00 1.55 H new ATOM 0 HE2 LYS A 31 -3.621 -9.575 -18.439 1.00 33.53 H new ATOM 0 HE3 LYS A 31 -3.257 -11.207 -17.915 1.00 33.53 H new ATOM 0 HZ1 LYS A 31 -5.628 -10.837 -18.047 1.00 62.21 H new ATOM 0 HZ2 LYS A 31 -5.176 -11.131 -16.437 1.00 62.21 H new ATOM 0 HZ3 LYS A 31 -5.529 -9.550 -16.945 1.00 62.21 H new ATOM 517 N ASN A 32 0.457 -6.099 -16.706 1.00 44.41 N ATOM 518 CA ASN A 32 0.363 -4.880 -17.567 1.00 60.33 C ATOM 519 C ASN A 32 1.067 -3.672 -16.869 1.00 33.41 C ATOM 520 O ASN A 32 0.429 -2.958 -16.082 1.00 20.54 O ATOM 521 CB ASN A 32 -1.126 -4.522 -17.846 1.00 22.13 C ATOM 522 CG ASN A 32 -1.931 -5.641 -18.506 1.00 32.33 C ATOM 523 OD1 ASN A 32 -2.563 -6.455 -17.834 1.00 55.10 O ATOM 524 ND2 ASN A 32 -1.933 -5.689 -19.825 1.00 45.21 N ATOM 0 H ASN A 32 0.153 -5.935 -15.746 1.00 44.41 H new ATOM 0 HA ASN A 32 0.861 -5.091 -18.514 1.00 60.33 H new ATOM 0 HB2 ASN A 32 -1.605 -4.253 -16.905 1.00 22.13 H new ATOM 0 HB3 ASN A 32 -1.161 -3.640 -18.485 1.00 22.13 H new ATOM 0 HD21 ASN A 32 -2.466 -6.412 -20.308 1.00 45.21 H new ATOM 0 HD22 ASN A 32 -1.401 -5.003 -20.361 1.00 45.21 H new ATOM 531 N PRO A 33 2.402 -3.438 -17.128 1.00 63.14 N ATOM 532 CA PRO A 33 3.234 -2.471 -16.339 1.00 13.04 C ATOM 533 C PRO A 33 2.753 -0.993 -16.380 1.00 62.25 C ATOM 534 O PRO A 33 2.602 -0.348 -15.335 1.00 42.24 O ATOM 535 CB PRO A 33 4.658 -2.635 -16.949 1.00 15.31 C ATOM 536 CG PRO A 33 4.425 -3.212 -18.313 1.00 14.32 C ATOM 537 CD PRO A 33 3.215 -4.112 -18.177 1.00 62.11 C ATOM 0 HA PRO A 33 3.178 -2.697 -15.274 1.00 13.04 H new ATOM 0 HB2 PRO A 33 5.176 -1.678 -17.007 1.00 15.31 H new ATOM 0 HB3 PRO A 33 5.276 -3.295 -16.340 1.00 15.31 H new ATOM 0 HG2 PRO A 33 4.247 -2.425 -19.046 1.00 14.32 H new ATOM 0 HG3 PRO A 33 5.294 -3.774 -18.654 1.00 14.32 H new ATOM 0 HD2 PRO A 33 2.669 -4.196 -19.117 1.00 62.11 H new ATOM 0 HD3 PRO A 33 3.497 -5.122 -17.880 1.00 62.11 H new ATOM 545 N GLU A 34 2.507 -0.466 -17.589 1.00 44.23 N ATOM 546 CA GLU A 34 2.258 0.980 -17.795 1.00 63.33 C ATOM 547 C GLU A 34 0.755 1.332 -17.848 1.00 53.52 C ATOM 548 O GLU A 34 0.398 2.478 -18.148 1.00 3.41 O ATOM 549 CB GLU A 34 3.030 1.460 -19.058 1.00 15.53 C ATOM 550 CG GLU A 34 4.534 1.084 -19.039 1.00 71.45 C ATOM 551 CD GLU A 34 5.389 1.851 -20.064 1.00 64.13 C ATOM 552 OE1 GLU A 34 5.228 1.614 -21.281 1.00 32.54 O ATOM 553 OE2 GLU A 34 6.233 2.681 -19.648 1.00 52.14 O ATOM 0 H GLU A 34 2.474 -1.018 -18.446 1.00 44.23 H new ATOM 0 HA GLU A 34 2.637 1.520 -16.927 1.00 63.33 H new ATOM 0 HB2 GLU A 34 2.566 1.028 -19.945 1.00 15.53 H new ATOM 0 HB3 GLU A 34 2.935 2.542 -19.144 1.00 15.53 H new ATOM 0 HG2 GLU A 34 4.931 1.269 -18.041 1.00 71.45 H new ATOM 0 HG3 GLU A 34 4.632 0.015 -19.228 1.00 71.45 H new ATOM 560 N ASP A 35 -0.121 0.360 -17.517 1.00 42.25 N ATOM 561 CA ASP A 35 -1.556 0.630 -17.321 1.00 53.13 C ATOM 562 C ASP A 35 -1.790 1.355 -15.971 1.00 65.52 C ATOM 563 O ASP A 35 -1.799 0.743 -14.894 1.00 65.24 O ATOM 564 CB ASP A 35 -2.392 -0.670 -17.440 1.00 2.42 C ATOM 565 CG ASP A 35 -2.719 -1.013 -18.901 1.00 50.05 C ATOM 566 OD1 ASP A 35 -1.932 -1.727 -19.558 1.00 5.15 O ATOM 567 OD2 ASP A 35 -3.755 -0.531 -19.410 1.00 74.11 O ATOM 0 H ASP A 35 0.142 -0.616 -17.381 1.00 42.25 H new ATOM 0 HA ASP A 35 -1.897 1.295 -18.115 1.00 53.13 H new ATOM 0 HB2 ASP A 35 -1.843 -1.496 -16.988 1.00 2.42 H new ATOM 0 HB3 ASP A 35 -3.319 -0.557 -16.878 1.00 2.42 H new ATOM 572 N MET A 36 -1.972 2.680 -16.078 1.00 50.43 N ATOM 573 CA MET A 36 -2.083 3.601 -14.934 1.00 23.41 C ATOM 574 C MET A 36 -3.365 3.383 -14.119 1.00 64.34 C ATOM 575 O MET A 36 -3.404 3.712 -12.944 1.00 32.41 O ATOM 576 CB MET A 36 -2.006 5.055 -15.448 1.00 64.21 C ATOM 577 CG MET A 36 -0.730 5.408 -16.239 1.00 44.31 C ATOM 578 SD MET A 36 0.702 5.738 -15.199 1.00 55.21 S ATOM 579 CE MET A 36 1.263 4.117 -14.710 1.00 63.14 C ATOM 0 H MET A 36 -2.048 3.152 -16.979 1.00 50.43 H new ATOM 0 HA MET A 36 -1.253 3.397 -14.258 1.00 23.41 H new ATOM 0 HB2 MET A 36 -2.871 5.245 -16.083 1.00 64.21 H new ATOM 0 HB3 MET A 36 -2.083 5.729 -14.595 1.00 64.21 H new ATOM 0 HG2 MET A 36 -0.494 4.587 -16.916 1.00 44.31 H new ATOM 0 HG3 MET A 36 -0.928 6.284 -16.857 1.00 44.31 H new ATOM 0 HE1 MET A 36 2.336 4.145 -14.520 1.00 63.14 H new ATOM 0 HE2 MET A 36 0.742 3.810 -13.803 1.00 63.14 H new ATOM 0 HE3 MET A 36 1.054 3.404 -15.507 1.00 63.14 H new ATOM 589 N GLU A 37 -4.398 2.838 -14.769 1.00 12.23 N ATOM 590 CA GLU A 37 -5.686 2.484 -14.126 1.00 50.14 C ATOM 591 C GLU A 37 -5.490 1.549 -12.895 1.00 11.51 C ATOM 592 O GLU A 37 -6.136 1.733 -11.851 1.00 64.44 O ATOM 593 CB GLU A 37 -6.622 1.832 -15.179 1.00 62.22 C ATOM 594 CG GLU A 37 -8.061 1.562 -14.691 1.00 31.12 C ATOM 595 CD GLU A 37 -8.985 1.046 -15.807 1.00 31.23 C ATOM 596 OE1 GLU A 37 -9.597 1.878 -16.520 1.00 15.32 O ATOM 597 OE2 GLU A 37 -9.090 -0.188 -15.988 1.00 54.00 O ATOM 0 H GLU A 37 -4.372 2.625 -15.766 1.00 12.23 H new ATOM 0 HA GLU A 37 -6.144 3.398 -13.749 1.00 50.14 H new ATOM 0 HB2 GLU A 37 -6.666 2.480 -16.055 1.00 62.22 H new ATOM 0 HB3 GLU A 37 -6.181 0.889 -15.502 1.00 62.22 H new ATOM 0 HG2 GLU A 37 -8.034 0.832 -13.882 1.00 31.12 H new ATOM 0 HG3 GLU A 37 -8.477 2.481 -14.277 1.00 31.12 H new ATOM 604 N TYR A 38 -4.568 0.567 -13.024 1.00 1.42 N ATOM 605 CA TYR A 38 -4.162 -0.323 -11.904 1.00 14.32 C ATOM 606 C TYR A 38 -3.481 0.481 -10.772 1.00 34.21 C ATOM 607 O TYR A 38 -3.782 0.291 -9.595 1.00 72.42 O ATOM 608 CB TYR A 38 -3.190 -1.424 -12.404 1.00 33.11 C ATOM 609 CG TYR A 38 -3.801 -2.423 -13.396 1.00 3.42 C ATOM 610 CD1 TYR A 38 -4.980 -3.116 -13.096 1.00 4.21 C ATOM 611 CD2 TYR A 38 -3.191 -2.688 -14.624 1.00 63.33 C ATOM 612 CE1 TYR A 38 -5.521 -4.026 -13.988 1.00 0.12 C ATOM 613 CE2 TYR A 38 -3.733 -3.593 -15.514 1.00 32.11 C ATOM 614 CZ TYR A 38 -4.891 -4.259 -15.194 1.00 14.04 C ATOM 615 OH TYR A 38 -5.423 -5.165 -16.089 1.00 50.24 O ATOM 0 H TYR A 38 -4.085 0.368 -13.900 1.00 1.42 H new ATOM 0 HA TYR A 38 -5.066 -0.789 -11.513 1.00 14.32 H new ATOM 0 HB2 TYR A 38 -2.332 -0.944 -12.876 1.00 33.11 H new ATOM 0 HB3 TYR A 38 -2.813 -1.974 -11.542 1.00 33.11 H new ATOM 0 HD1 TYR A 38 -5.476 -2.938 -12.153 1.00 4.21 H new ATOM 0 HD2 TYR A 38 -2.277 -2.174 -14.882 1.00 63.33 H new ATOM 0 HE1 TYR A 38 -6.432 -4.551 -13.741 1.00 0.12 H new ATOM 0 HE2 TYR A 38 -3.247 -3.777 -16.461 1.00 32.11 H new ATOM 0 HH TYR A 38 -4.856 -5.208 -16.887 1.00 50.24 H new ATOM 625 N TRP A 39 -2.566 1.390 -11.155 1.00 52.42 N ATOM 626 CA TRP A 39 -1.824 2.247 -10.206 1.00 72.13 C ATOM 627 C TRP A 39 -2.717 3.301 -9.511 1.00 53.33 C ATOM 628 O TRP A 39 -2.391 3.724 -8.415 1.00 50.40 O ATOM 629 CB TRP A 39 -0.604 2.913 -10.895 1.00 51.12 C ATOM 630 CG TRP A 39 0.536 1.953 -11.160 1.00 62.24 C ATOM 631 CD1 TRP A 39 1.049 1.587 -12.370 1.00 51.44 C ATOM 632 CD2 TRP A 39 1.282 1.207 -10.175 1.00 35.30 C ATOM 633 NE1 TRP A 39 2.084 0.714 -12.197 1.00 35.02 N ATOM 634 CE2 TRP A 39 2.234 0.455 -10.861 1.00 43.41 C ATOM 635 CE3 TRP A 39 1.241 1.120 -8.779 1.00 70.20 C ATOM 636 CZ2 TRP A 39 3.132 -0.388 -10.210 1.00 31.43 C ATOM 637 CZ3 TRP A 39 2.130 0.280 -8.137 1.00 33.55 C ATOM 638 CH2 TRP A 39 3.068 -0.461 -8.856 1.00 63.14 C ATOM 0 H TRP A 39 -2.319 1.553 -12.131 1.00 52.42 H new ATOM 0 HA TRP A 39 -1.461 1.589 -9.417 1.00 72.13 H new ATOM 0 HB2 TRP A 39 -0.925 3.353 -11.839 1.00 51.12 H new ATOM 0 HB3 TRP A 39 -0.244 3.729 -10.269 1.00 51.12 H new ATOM 0 HD1 TRP A 39 0.689 1.937 -13.326 1.00 51.44 H new ATOM 0 HE1 TRP A 39 2.655 0.318 -12.944 1.00 35.02 H new ATOM 0 HE3 TRP A 39 0.527 1.700 -8.213 1.00 70.20 H new ATOM 0 HZ2 TRP A 39 3.856 -0.965 -10.765 1.00 31.43 H new ATOM 0 HZ3 TRP A 39 2.098 0.196 -7.061 1.00 33.55 H new ATOM 0 HH2 TRP A 39 3.755 -1.104 -8.326 1.00 63.14 H new ATOM 649 N ASN A 40 -3.816 3.736 -10.162 1.00 1.45 N ATOM 650 CA ASN A 40 -4.815 4.650 -9.539 1.00 52.51 C ATOM 651 C ASN A 40 -5.512 3.947 -8.358 1.00 51.21 C ATOM 652 O ASN A 40 -5.697 4.533 -7.285 1.00 71.42 O ATOM 653 CB ASN A 40 -5.884 5.091 -10.567 1.00 63.51 C ATOM 654 CG ASN A 40 -5.304 5.860 -11.748 1.00 10.50 C ATOM 655 OD1 ASN A 40 -4.328 6.594 -11.625 1.00 24.53 O ATOM 656 ND2 ASN A 40 -5.915 5.711 -12.905 1.00 11.43 N ATOM 0 H ASN A 40 -4.040 3.472 -11.121 1.00 1.45 H new ATOM 0 HA ASN A 40 -4.283 5.532 -9.183 1.00 52.51 H new ATOM 0 HB2 ASN A 40 -6.407 4.209 -10.938 1.00 63.51 H new ATOM 0 HB3 ASN A 40 -6.625 5.714 -10.066 1.00 63.51 H new ATOM 0 HD21 ASN A 40 -5.579 6.212 -13.727 1.00 11.43 H new ATOM 0 HD22 ASN A 40 -6.724 5.094 -12.979 1.00 11.43 H new ATOM 663 N LYS A 41 -5.895 2.676 -8.600 1.00 32.45 N ATOM 664 CA LYS A 41 -6.453 1.783 -7.557 1.00 62.52 C ATOM 665 C LYS A 41 -5.473 1.648 -6.367 1.00 31.33 C ATOM 666 O LYS A 41 -5.808 2.002 -5.241 1.00 31.51 O ATOM 667 CB LYS A 41 -6.745 0.374 -8.146 1.00 31.01 C ATOM 668 CG LYS A 41 -7.796 0.333 -9.274 1.00 74.44 C ATOM 669 CD LYS A 41 -9.197 0.797 -8.810 1.00 21.24 C ATOM 670 CE LYS A 41 -10.269 0.622 -9.898 1.00 20.13 C ATOM 671 NZ LYS A 41 -11.594 1.105 -9.444 1.00 54.24 N ATOM 0 H LYS A 41 -5.828 2.239 -9.519 1.00 32.45 H new ATOM 0 HA LYS A 41 -7.384 2.226 -7.202 1.00 62.52 H new ATOM 0 HB2 LYS A 41 -5.812 -0.043 -8.526 1.00 31.01 H new ATOM 0 HB3 LYS A 41 -7.079 -0.277 -7.338 1.00 31.01 H new ATOM 0 HG2 LYS A 41 -7.463 0.966 -10.097 1.00 74.44 H new ATOM 0 HG3 LYS A 41 -7.866 -0.683 -9.662 1.00 74.44 H new ATOM 0 HD2 LYS A 41 -9.488 0.232 -7.925 1.00 21.24 H new ATOM 0 HD3 LYS A 41 -9.150 1.846 -8.517 1.00 21.24 H new ATOM 0 HE2 LYS A 41 -9.971 1.166 -10.794 1.00 20.13 H new ATOM 0 HE3 LYS A 41 -10.340 -0.430 -10.173 1.00 20.13 H new ATOM 0 HZ1 LYS A 41 -12.291 0.971 -10.204 1.00 54.24 H new ATOM 0 HZ2 LYS A 41 -11.890 0.568 -8.604 1.00 54.24 H new ATOM 0 HZ3 LYS A 41 -11.532 2.115 -9.205 1.00 54.24 H new ATOM 685 N ILE A 42 -4.235 1.214 -6.673 1.00 74.10 N ATOM 686 CA ILE A 42 -3.164 0.976 -5.669 1.00 41.53 C ATOM 687 C ILE A 42 -2.826 2.259 -4.871 1.00 22.24 C ATOM 688 O ILE A 42 -2.669 2.211 -3.659 1.00 32.53 O ATOM 689 CB ILE A 42 -1.866 0.420 -6.378 1.00 4.22 C ATOM 690 CG1 ILE A 42 -2.181 -0.949 -7.064 1.00 52.42 C ATOM 691 CG2 ILE A 42 -0.663 0.290 -5.399 1.00 52.15 C ATOM 692 CD1 ILE A 42 -1.094 -1.487 -7.978 1.00 72.31 C ATOM 0 H ILE A 42 -3.942 1.015 -7.629 1.00 74.10 H new ATOM 0 HA ILE A 42 -3.536 0.235 -4.961 1.00 41.53 H new ATOM 0 HB ILE A 42 -1.569 1.142 -7.138 1.00 4.22 H new ATOM 0 HG12 ILE A 42 -2.377 -1.688 -6.287 1.00 52.42 H new ATOM 0 HG13 ILE A 42 -3.099 -0.843 -7.643 1.00 52.42 H new ATOM 0 HG21 ILE A 42 0.203 -0.096 -5.936 1.00 52.15 H new ATOM 0 HG22 ILE A 42 -0.425 1.269 -4.983 1.00 52.15 H new ATOM 0 HG23 ILE A 42 -0.923 -0.394 -4.591 1.00 52.15 H new ATOM 0 HD11 ILE A 42 -1.413 -2.439 -8.402 1.00 72.31 H new ATOM 0 HD12 ILE A 42 -0.910 -0.775 -8.783 1.00 72.31 H new ATOM 0 HD13 ILE A 42 -0.177 -1.633 -7.406 1.00 72.31 H new ATOM 704 N TYR A 43 -2.760 3.395 -5.575 1.00 54.24 N ATOM 705 CA TYR A 43 -2.406 4.712 -4.992 1.00 75.11 C ATOM 706 C TYR A 43 -3.445 5.151 -3.929 1.00 14.31 C ATOM 707 O TYR A 43 -3.084 5.580 -2.836 1.00 31.11 O ATOM 708 CB TYR A 43 -2.307 5.762 -6.131 1.00 10.45 C ATOM 709 CG TYR A 43 -1.746 7.136 -5.728 1.00 54.22 C ATOM 710 CD1 TYR A 43 -0.433 7.261 -5.279 1.00 41.25 C ATOM 711 CD2 TYR A 43 -2.515 8.300 -5.819 1.00 61.21 C ATOM 712 CE1 TYR A 43 0.087 8.488 -4.932 1.00 75.43 C ATOM 713 CE2 TYR A 43 -1.989 9.533 -5.478 1.00 25.53 C ATOM 714 CZ TYR A 43 -0.691 9.620 -5.032 1.00 61.22 C ATOM 715 OH TYR A 43 -0.160 10.847 -4.697 1.00 14.12 O ATOM 0 H TYR A 43 -2.951 3.435 -6.576 1.00 54.24 H new ATOM 0 HA TYR A 43 -1.442 4.630 -4.489 1.00 75.11 H new ATOM 0 HB2 TYR A 43 -1.680 5.353 -6.923 1.00 10.45 H new ATOM 0 HB3 TYR A 43 -3.301 5.906 -6.554 1.00 10.45 H new ATOM 0 HD1 TYR A 43 0.188 6.380 -5.202 1.00 41.25 H new ATOM 0 HD2 TYR A 43 -3.537 8.235 -6.161 1.00 61.21 H new ATOM 0 HE1 TYR A 43 1.106 8.563 -4.581 1.00 75.43 H new ATOM 0 HE2 TYR A 43 -2.595 10.423 -5.562 1.00 25.53 H new ATOM 0 HH TYR A 43 -0.838 11.543 -4.824 1.00 14.12 H new ATOM 725 N ARG A 44 -4.737 5.030 -4.284 1.00 43.53 N ATOM 726 CA ARG A 44 -5.876 5.372 -3.392 1.00 24.12 C ATOM 727 C ARG A 44 -6.100 4.337 -2.256 1.00 25.24 C ATOM 728 O ARG A 44 -6.628 4.687 -1.194 1.00 23.33 O ATOM 729 CB ARG A 44 -7.149 5.597 -4.240 1.00 61.21 C ATOM 730 CG ARG A 44 -6.990 6.768 -5.239 1.00 73.31 C ATOM 731 CD ARG A 44 -8.199 6.958 -6.165 1.00 24.13 C ATOM 732 NE ARG A 44 -7.962 8.056 -7.127 1.00 64.44 N ATOM 733 CZ ARG A 44 -8.415 8.104 -8.357 1.00 24.44 C ATOM 734 NH1 ARG A 44 -9.161 7.158 -8.838 1.00 52.02 N ATOM 735 NH2 ARG A 44 -8.125 9.118 -9.105 1.00 4.42 N ATOM 0 H ARG A 44 -5.029 4.691 -5.201 1.00 43.53 H new ATOM 0 HA ARG A 44 -5.627 6.300 -2.877 1.00 24.12 H new ATOM 0 HB2 ARG A 44 -7.384 4.684 -4.788 1.00 61.21 H new ATOM 0 HB3 ARG A 44 -7.992 5.798 -3.579 1.00 61.21 H new ATOM 0 HG2 ARG A 44 -6.822 7.689 -4.681 1.00 73.31 H new ATOM 0 HG3 ARG A 44 -6.101 6.597 -5.847 1.00 73.31 H new ATOM 0 HD2 ARG A 44 -8.397 6.032 -6.706 1.00 24.13 H new ATOM 0 HD3 ARG A 44 -9.086 7.176 -5.571 1.00 24.13 H new ATOM 0 HE ARG A 44 -7.398 8.843 -6.807 1.00 64.44 H new ATOM 0 HH11 ARG A 44 -9.406 6.356 -8.257 1.00 52.02 H new ATOM 0 HH12 ARG A 44 -9.502 7.216 -9.797 1.00 52.02 H new ATOM 0 HH21 ARG A 44 -7.547 9.874 -8.738 1.00 4.42 H new ATOM 0 HH22 ARG A 44 -8.474 9.162 -10.062 1.00 4.42 H new ATOM 749 N LEU A 45 -5.709 3.068 -2.482 1.00 63.43 N ATOM 750 CA LEU A 45 -5.739 2.024 -1.423 1.00 11.01 C ATOM 751 C LEU A 45 -4.586 2.233 -0.404 1.00 64.11 C ATOM 752 O LEU A 45 -4.758 2.004 0.792 1.00 2.31 O ATOM 753 CB LEU A 45 -5.661 0.605 -2.038 1.00 2.13 C ATOM 754 CG LEU A 45 -6.850 0.159 -2.956 1.00 22.32 C ATOM 755 CD1 LEU A 45 -6.608 -1.259 -3.529 1.00 24.52 C ATOM 756 CD2 LEU A 45 -8.206 0.241 -2.221 1.00 34.03 C ATOM 0 H LEU A 45 -5.368 2.735 -3.384 1.00 63.43 H new ATOM 0 HA LEU A 45 -6.688 2.117 -0.894 1.00 11.01 H new ATOM 0 HB2 LEU A 45 -4.741 0.538 -2.619 1.00 2.13 H new ATOM 0 HB3 LEU A 45 -5.575 -0.113 -1.222 1.00 2.13 H new ATOM 0 HG LEU A 45 -6.895 0.857 -3.792 1.00 22.32 H new ATOM 0 HD11 LEU A 45 -7.448 -1.544 -4.162 1.00 24.52 H new ATOM 0 HD12 LEU A 45 -5.692 -1.261 -4.119 1.00 24.52 H new ATOM 0 HD13 LEU A 45 -6.514 -1.971 -2.709 1.00 24.52 H new ATOM 0 HD21 LEU A 45 -9.004 -0.077 -2.893 1.00 34.03 H new ATOM 0 HD22 LEU A 45 -8.186 -0.410 -1.347 1.00 34.03 H new ATOM 0 HD23 LEU A 45 -8.386 1.268 -1.904 1.00 34.03 H new ATOM 768 N VAL A 46 -3.416 2.672 -0.896 1.00 41.03 N ATOM 769 CA VAL A 46 -2.262 3.060 -0.044 1.00 40.22 C ATOM 770 C VAL A 46 -2.527 4.434 0.627 1.00 35.22 C ATOM 771 O VAL A 46 -2.016 4.714 1.712 1.00 43.22 O ATOM 772 CB VAL A 46 -0.906 3.050 -0.857 1.00 72.32 C ATOM 773 CG1 VAL A 46 0.283 3.606 -0.028 1.00 21.51 C ATOM 774 CG2 VAL A 46 -0.589 1.612 -1.356 1.00 62.21 C ATOM 0 H VAL A 46 -3.236 2.771 -1.895 1.00 41.03 H new ATOM 0 HA VAL A 46 -2.154 2.316 0.745 1.00 40.22 H new ATOM 0 HB VAL A 46 -1.038 3.710 -1.714 1.00 72.32 H new ATOM 0 HG11 VAL A 46 1.191 3.578 -0.630 1.00 21.51 H new ATOM 0 HG12 VAL A 46 0.073 4.635 0.264 1.00 21.51 H new ATOM 0 HG13 VAL A 46 0.421 2.996 0.865 1.00 21.51 H new ATOM 0 HG21 VAL A 46 0.347 1.619 -1.914 1.00 62.21 H new ATOM 0 HG22 VAL A 46 -0.497 0.942 -0.501 1.00 62.21 H new ATOM 0 HG23 VAL A 46 -1.395 1.265 -2.003 1.00 62.21 H new ATOM 784 N HIS A 47 -3.353 5.278 -0.027 1.00 41.14 N ATOM 785 CA HIS A 47 -3.905 6.513 0.582 1.00 43.13 C ATOM 786 C HIS A 47 -4.862 6.153 1.752 1.00 13.35 C ATOM 787 O HIS A 47 -5.009 6.928 2.707 1.00 25.14 O ATOM 788 CB HIS A 47 -4.642 7.368 -0.486 1.00 11.13 C ATOM 789 CG HIS A 47 -5.199 8.682 0.018 1.00 42.15 C ATOM 790 ND1 HIS A 47 -6.340 8.775 0.794 1.00 34.12 N ATOM 791 CD2 HIS A 47 -4.779 9.958 -0.163 1.00 23.44 C ATOM 792 CE1 HIS A 47 -6.589 10.033 1.070 1.00 43.53 C ATOM 793 NE2 HIS A 47 -5.664 10.773 0.500 1.00 62.22 N ATOM 0 H HIS A 47 -3.657 5.126 -0.989 1.00 41.14 H new ATOM 0 HA HIS A 47 -3.079 7.104 0.978 1.00 43.13 H new ATOM 0 HB2 HIS A 47 -3.952 7.573 -1.304 1.00 11.13 H new ATOM 0 HB3 HIS A 47 -5.460 6.779 -0.900 1.00 11.13 H new ATOM 0 HD2 HIS A 47 -3.912 10.274 -0.723 1.00 23.44 H new ATOM 0 HE1 HIS A 47 -7.413 10.398 1.664 1.00 43.53 H new ATOM 0 HE2 HIS A 47 -5.612 11.791 0.543 1.00 62.22 H new ATOM 802 N THR A 48 -5.524 4.980 1.659 1.00 43.11 N ATOM 803 CA THR A 48 -6.336 4.441 2.768 1.00 43.13 C ATOM 804 C THR A 48 -5.423 3.885 3.896 1.00 42.41 C ATOM 805 O THR A 48 -5.708 4.082 5.067 1.00 73.42 O ATOM 806 CB THR A 48 -7.348 3.345 2.292 1.00 31.10 C ATOM 807 OG1 THR A 48 -8.162 3.848 1.222 1.00 30.15 O ATOM 808 CG2 THR A 48 -8.269 2.866 3.435 1.00 21.30 C ATOM 0 H THR A 48 -5.511 4.389 0.827 1.00 43.11 H new ATOM 0 HA THR A 48 -6.924 5.270 3.162 1.00 43.13 H new ATOM 0 HB THR A 48 -6.755 2.497 1.950 1.00 31.10 H new ATOM 0 HG1 THR A 48 -7.590 4.103 0.468 1.00 30.15 H new ATOM 0 HG21 THR A 48 -8.953 2.106 3.057 1.00 21.30 H new ATOM 0 HG22 THR A 48 -7.664 2.443 4.237 1.00 21.30 H new ATOM 0 HG23 THR A 48 -8.841 3.710 3.820 1.00 21.30 H new ATOM 816 N MET A 49 -4.305 3.210 3.532 1.00 74.23 N ATOM 817 CA MET A 49 -3.278 2.754 4.524 1.00 1.32 C ATOM 818 C MET A 49 -2.684 3.962 5.287 1.00 54.32 C ATOM 819 O MET A 49 -2.464 3.906 6.499 1.00 31.42 O ATOM 820 CB MET A 49 -2.141 1.967 3.819 1.00 34.41 C ATOM 821 CG MET A 49 -2.612 0.717 3.088 1.00 43.12 C ATOM 822 SD MET A 49 -1.282 -0.204 2.299 1.00 42.51 S ATOM 823 CE MET A 49 -2.214 -1.542 1.560 1.00 4.30 C ATOM 0 H MET A 49 -4.085 2.966 2.566 1.00 74.23 H new ATOM 0 HA MET A 49 -3.771 2.093 5.237 1.00 1.32 H new ATOM 0 HB2 MET A 49 -1.645 2.626 3.107 1.00 34.41 H new ATOM 0 HB3 MET A 49 -1.396 1.682 4.562 1.00 34.41 H new ATOM 0 HG2 MET A 49 -3.124 0.065 3.795 1.00 43.12 H new ATOM 0 HG3 MET A 49 -3.343 1.003 2.331 1.00 43.12 H new ATOM 0 HE1 MET A 49 -1.569 -2.106 0.886 1.00 4.30 H new ATOM 0 HE2 MET A 49 -2.586 -2.202 2.343 1.00 4.30 H new ATOM 0 HE3 MET A 49 -3.055 -1.134 1.000 1.00 4.30 H new ATOM 833 N LYS A 50 -2.467 5.046 4.526 1.00 22.22 N ATOM 834 CA LYS A 50 -2.022 6.360 5.020 1.00 44.34 C ATOM 835 C LYS A 50 -2.988 6.916 6.092 1.00 74.41 C ATOM 836 O LYS A 50 -2.582 7.165 7.221 1.00 25.34 O ATOM 837 CB LYS A 50 -1.949 7.320 3.796 1.00 45.14 C ATOM 838 CG LYS A 50 -1.856 8.833 4.100 1.00 14.31 C ATOM 839 CD LYS A 50 -1.945 9.701 2.821 1.00 2.01 C ATOM 840 CE LYS A 50 -2.128 11.198 3.125 1.00 13.31 C ATOM 841 NZ LYS A 50 -1.066 11.735 4.015 1.00 22.21 N ATOM 0 H LYS A 50 -2.601 5.032 3.515 1.00 22.22 H new ATOM 0 HA LYS A 50 -1.045 6.267 5.495 1.00 44.34 H new ATOM 0 HB2 LYS A 50 -1.083 7.040 3.196 1.00 45.14 H new ATOM 0 HB3 LYS A 50 -2.832 7.151 3.179 1.00 45.14 H new ATOM 0 HG2 LYS A 50 -2.659 9.113 4.782 1.00 14.31 H new ATOM 0 HG3 LYS A 50 -0.916 9.041 4.611 1.00 14.31 H new ATOM 0 HD2 LYS A 50 -1.039 9.563 2.231 1.00 2.01 H new ATOM 0 HD3 LYS A 50 -2.779 9.355 2.210 1.00 2.01 H new ATOM 0 HE2 LYS A 50 -2.130 11.757 2.189 1.00 13.31 H new ATOM 0 HE3 LYS A 50 -3.101 11.354 3.591 1.00 13.31 H new ATOM 0 HZ1 LYS A 50 -0.837 12.710 3.734 1.00 22.21 H new ATOM 0 HZ2 LYS A 50 -1.402 11.729 4.999 1.00 22.21 H new ATOM 0 HZ3 LYS A 50 -0.215 11.143 3.936 1.00 22.21 H new ATOM 855 N GLU A 51 -4.280 7.041 5.738 1.00 2.35 N ATOM 856 CA GLU A 51 -5.304 7.621 6.654 1.00 13.13 C ATOM 857 C GLU A 51 -5.547 6.718 7.895 1.00 52.54 C ATOM 858 O GLU A 51 -5.849 7.234 8.971 1.00 31.52 O ATOM 859 CB GLU A 51 -6.644 7.908 5.912 1.00 61.04 C ATOM 860 CG GLU A 51 -7.429 6.655 5.487 1.00 5.01 C ATOM 861 CD GLU A 51 -8.742 6.966 4.757 1.00 44.42 C ATOM 862 OE1 GLU A 51 -9.785 7.114 5.433 1.00 3.51 O ATOM 863 OE2 GLU A 51 -8.737 7.073 3.508 1.00 5.03 O ATOM 0 H GLU A 51 -4.648 6.753 4.831 1.00 2.35 H new ATOM 0 HA GLU A 51 -4.905 8.572 7.007 1.00 13.13 H new ATOM 0 HB2 GLU A 51 -7.278 8.514 6.559 1.00 61.04 H new ATOM 0 HB3 GLU A 51 -6.431 8.504 5.025 1.00 61.04 H new ATOM 0 HG2 GLU A 51 -6.799 6.045 4.839 1.00 5.01 H new ATOM 0 HG3 GLU A 51 -7.649 6.058 6.372 1.00 5.01 H new ATOM 870 N ILE A 52 -5.408 5.377 7.731 1.00 71.41 N ATOM 871 CA ILE A 52 -5.519 4.397 8.849 1.00 61.23 C ATOM 872 C ILE A 52 -4.435 4.666 9.927 1.00 14.11 C ATOM 873 O ILE A 52 -4.751 4.869 11.106 1.00 45.24 O ATOM 874 CB ILE A 52 -5.428 2.894 8.330 1.00 72.21 C ATOM 875 CG1 ILE A 52 -6.726 2.496 7.539 1.00 52.23 C ATOM 876 CG2 ILE A 52 -5.150 1.878 9.476 1.00 44.12 C ATOM 877 CD1 ILE A 52 -6.710 1.096 6.930 1.00 33.14 C ATOM 0 H ILE A 52 -5.217 4.944 6.827 1.00 71.41 H new ATOM 0 HA ILE A 52 -6.502 4.531 9.301 1.00 61.23 H new ATOM 0 HB ILE A 52 -4.575 2.848 7.653 1.00 72.21 H new ATOM 0 HG12 ILE A 52 -7.580 2.573 8.211 1.00 52.23 H new ATOM 0 HG13 ILE A 52 -6.883 3.221 6.740 1.00 52.23 H new ATOM 0 HG21 ILE A 52 -5.098 0.870 9.064 1.00 44.12 H new ATOM 0 HG22 ILE A 52 -4.203 2.122 9.957 1.00 44.12 H new ATOM 0 HG23 ILE A 52 -5.954 1.929 10.210 1.00 44.12 H new ATOM 0 HD11 ILE A 52 -7.649 0.917 6.406 1.00 33.14 H new ATOM 0 HD12 ILE A 52 -5.881 1.014 6.227 1.00 33.14 H new ATOM 0 HD13 ILE A 52 -6.589 0.356 7.721 1.00 33.14 H new ATOM 889 N THR A 53 -3.160 4.670 9.512 1.00 21.33 N ATOM 890 CA THR A 53 -2.027 4.883 10.443 1.00 43.14 C ATOM 891 C THR A 53 -1.967 6.336 10.995 1.00 50.34 C ATOM 892 O THR A 53 -1.590 6.540 12.147 1.00 40.35 O ATOM 893 CB THR A 53 -0.658 4.476 9.801 1.00 32.44 C ATOM 894 OG1 THR A 53 0.401 4.708 10.711 1.00 12.10 O ATOM 895 CG2 THR A 53 -0.352 5.224 8.502 1.00 61.23 C ATOM 0 H THR A 53 -2.881 4.529 8.541 1.00 21.33 H new ATOM 0 HA THR A 53 -2.211 4.224 11.292 1.00 43.14 H new ATOM 0 HB THR A 53 -0.744 3.416 9.564 1.00 32.44 H new ATOM 0 HG1 THR A 53 0.747 5.616 10.586 1.00 12.10 H new ATOM 0 HG21 THR A 53 0.610 4.895 8.110 1.00 61.23 H new ATOM 0 HG22 THR A 53 -1.132 5.016 7.770 1.00 61.23 H new ATOM 0 HG23 THR A 53 -0.316 6.295 8.699 1.00 61.23 H new ATOM 903 N GLU A 54 -2.377 7.335 10.184 1.00 73.32 N ATOM 904 CA GLU A 54 -2.341 8.772 10.583 1.00 51.45 C ATOM 905 C GLU A 54 -3.492 9.146 11.551 1.00 40.31 C ATOM 906 O GLU A 54 -3.317 10.038 12.393 1.00 32.44 O ATOM 907 CB GLU A 54 -2.352 9.699 9.333 1.00 61.14 C ATOM 908 CG GLU A 54 -1.083 9.583 8.456 1.00 1.11 C ATOM 909 CD GLU A 54 -1.050 10.500 7.211 1.00 1.42 C ATOM 910 OE1 GLU A 54 -2.118 10.978 6.761 1.00 33.43 O ATOM 911 OE2 GLU A 54 0.058 10.728 6.660 1.00 2.15 O ATOM 0 H GLU A 54 -2.739 7.179 9.243 1.00 73.32 H new ATOM 0 HA GLU A 54 -1.406 8.925 11.122 1.00 51.45 H new ATOM 0 HB2 GLU A 54 -3.225 9.462 8.725 1.00 61.14 H new ATOM 0 HB3 GLU A 54 -2.462 10.733 9.660 1.00 61.14 H new ATOM 0 HG2 GLU A 54 -0.213 9.807 9.074 1.00 1.11 H new ATOM 0 HG3 GLU A 54 -0.983 8.549 8.127 1.00 1.11 H new ATOM 918 N THR A 55 -4.666 8.475 11.440 1.00 15.32 N ATOM 919 CA THR A 55 -5.783 8.669 12.415 1.00 33.20 C ATOM 920 C THR A 55 -5.470 7.972 13.765 1.00 45.24 C ATOM 921 O THR A 55 -6.050 8.311 14.800 1.00 42.01 O ATOM 922 CB THR A 55 -7.176 8.182 11.867 1.00 53.25 C ATOM 923 OG1 THR A 55 -8.232 8.670 12.717 1.00 14.11 O ATOM 924 CG2 THR A 55 -7.286 6.647 11.762 1.00 52.43 C ATOM 0 H THR A 55 -4.868 7.804 10.699 1.00 15.32 H new ATOM 0 HA THR A 55 -5.860 9.745 12.572 1.00 33.20 H new ATOM 0 HB THR A 55 -7.270 8.584 10.858 1.00 53.25 H new ATOM 0 HG1 THR A 55 -9.097 8.366 12.371 1.00 14.11 H new ATOM 0 HG21 THR A 55 -8.270 6.378 11.378 1.00 52.43 H new ATOM 0 HG22 THR A 55 -6.518 6.273 11.085 1.00 52.43 H new ATOM 0 HG23 THR A 55 -7.148 6.204 12.748 1.00 52.43 H new ATOM 932 N MET A 56 -4.563 6.972 13.728 1.00 72.43 N ATOM 933 CA MET A 56 -3.979 6.350 14.943 1.00 3.44 C ATOM 934 C MET A 56 -2.830 7.225 15.514 1.00 40.22 C ATOM 935 O MET A 56 -2.582 7.232 16.724 1.00 4.51 O ATOM 936 CB MET A 56 -3.478 4.913 14.624 1.00 12.53 C ATOM 937 CG MET A 56 -4.587 3.932 14.207 1.00 53.13 C ATOM 938 SD MET A 56 -3.954 2.278 13.841 1.00 73.15 S ATOM 939 CE MET A 56 -5.460 1.399 13.410 1.00 21.24 C ATOM 0 H MET A 56 -4.213 6.571 12.858 1.00 72.43 H new ATOM 0 HA MET A 56 -4.756 6.282 15.705 1.00 3.44 H new ATOM 0 HB2 MET A 56 -2.739 4.968 13.825 1.00 12.53 H new ATOM 0 HB3 MET A 56 -2.969 4.515 15.502 1.00 12.53 H new ATOM 0 HG2 MET A 56 -5.326 3.865 15.005 1.00 53.13 H new ATOM 0 HG3 MET A 56 -5.101 4.323 13.329 1.00 53.13 H new ATOM 0 HE1 MET A 56 -5.529 0.484 13.999 1.00 21.24 H new ATOM 0 HE2 MET A 56 -6.323 2.031 13.619 1.00 21.24 H new ATOM 0 HE3 MET A 56 -5.443 1.147 12.350 1.00 21.24 H new ATOM 949 N GLY A 57 -2.145 7.970 14.616 1.00 13.31 N ATOM 950 CA GLY A 57 -1.084 8.924 14.998 1.00 41.52 C ATOM 951 C GLY A 57 0.342 8.444 14.688 1.00 30.24 C ATOM 952 O GLY A 57 1.314 9.108 15.063 1.00 22.15 O ATOM 0 H GLY A 57 -2.313 7.926 13.611 1.00 13.31 H new ATOM 0 HA2 GLY A 57 -1.257 9.868 14.481 1.00 41.52 H new ATOM 0 HA3 GLY A 57 -1.162 9.127 16.066 1.00 41.52 H new ATOM 956 N PHE A 58 0.466 7.296 14.002 1.00 71.42 N ATOM 957 CA PHE A 58 1.768 6.711 13.629 1.00 71.52 C ATOM 958 C PHE A 58 2.343 7.387 12.357 1.00 74.33 C ATOM 959 O PHE A 58 2.100 6.942 11.231 1.00 2.42 O ATOM 960 CB PHE A 58 1.609 5.185 13.418 1.00 53.33 C ATOM 961 CG PHE A 58 1.325 4.378 14.682 1.00 14.20 C ATOM 962 CD1 PHE A 58 2.364 3.904 15.480 1.00 44.50 C ATOM 963 CD2 PHE A 58 0.015 4.087 15.065 1.00 73.20 C ATOM 964 CE1 PHE A 58 2.102 3.164 16.620 1.00 75.21 C ATOM 965 CE2 PHE A 58 -0.247 3.347 16.203 1.00 12.34 C ATOM 966 CZ PHE A 58 0.796 2.887 16.981 1.00 34.21 C ATOM 0 H PHE A 58 -0.334 6.745 13.689 1.00 71.42 H new ATOM 0 HA PHE A 58 2.476 6.887 14.439 1.00 71.52 H new ATOM 0 HB2 PHE A 58 0.799 5.015 12.709 1.00 53.33 H new ATOM 0 HB3 PHE A 58 2.520 4.801 12.959 1.00 53.33 H new ATOM 0 HD1 PHE A 58 3.387 4.117 15.206 1.00 44.50 H new ATOM 0 HD2 PHE A 58 -0.807 4.445 14.463 1.00 73.20 H new ATOM 0 HE1 PHE A 58 2.918 2.803 17.228 1.00 75.21 H new ATOM 0 HE2 PHE A 58 -1.267 3.129 16.483 1.00 12.34 H new ATOM 0 HZ PHE A 58 0.592 2.311 17.872 1.00 34.21 H new ATOM 976 N SER A 59 3.093 8.484 12.554 1.00 43.42 N ATOM 977 CA SER A 59 3.772 9.208 11.451 1.00 75.33 C ATOM 978 C SER A 59 4.968 8.404 10.889 1.00 44.04 C ATOM 979 O SER A 59 5.354 8.592 9.736 1.00 12.01 O ATOM 980 CB SER A 59 4.240 10.603 11.926 1.00 42.21 C ATOM 981 OG SER A 59 3.135 11.414 12.301 1.00 64.40 O ATOM 0 H SER A 59 3.249 8.897 13.474 1.00 43.42 H new ATOM 0 HA SER A 59 3.048 9.332 10.646 1.00 75.33 H new ATOM 0 HB2 SER A 59 4.918 10.494 12.772 1.00 42.21 H new ATOM 0 HB3 SER A 59 4.800 11.093 11.129 1.00 42.21 H new ATOM 0 HG SER A 59 3.458 12.290 12.599 1.00 64.40 H new ATOM 987 N SER A 60 5.545 7.513 11.724 1.00 61.14 N ATOM 988 CA SER A 60 6.663 6.615 11.330 1.00 4.12 C ATOM 989 C SER A 60 6.198 5.524 10.336 1.00 54.22 C ATOM 990 O SER A 60 6.889 5.235 9.353 1.00 24.14 O ATOM 991 CB SER A 60 7.282 5.952 12.582 1.00 64.33 C ATOM 992 OG SER A 60 7.815 6.922 13.476 1.00 44.33 O ATOM 0 H SER A 60 5.251 7.393 12.693 1.00 61.14 H new ATOM 0 HA SER A 60 7.415 7.226 10.831 1.00 4.12 H new ATOM 0 HB2 SER A 60 6.523 5.361 13.095 1.00 64.33 H new ATOM 0 HB3 SER A 60 8.071 5.264 12.278 1.00 64.33 H new ATOM 0 HG SER A 60 8.197 6.471 14.258 1.00 44.33 H new ATOM 998 N VAL A 61 5.025 4.915 10.611 1.00 42.22 N ATOM 999 CA VAL A 61 4.407 3.925 9.692 1.00 20.34 C ATOM 1000 C VAL A 61 3.908 4.637 8.407 1.00 51.11 C ATOM 1001 O VAL A 61 4.120 4.150 7.294 1.00 61.51 O ATOM 1002 CB VAL A 61 3.216 3.153 10.378 1.00 55.30 C ATOM 1003 CG1 VAL A 61 2.650 2.040 9.460 1.00 4.41 C ATOM 1004 CG2 VAL A 61 3.619 2.580 11.765 1.00 64.23 C ATOM 0 H VAL A 61 4.485 5.088 11.459 1.00 42.22 H new ATOM 0 HA VAL A 61 5.170 3.191 9.432 1.00 20.34 H new ATOM 0 HB VAL A 61 2.423 3.882 10.543 1.00 55.30 H new ATOM 0 HG11 VAL A 61 1.831 1.531 9.968 1.00 4.41 H new ATOM 0 HG12 VAL A 61 2.283 2.483 8.534 1.00 4.41 H new ATOM 0 HG13 VAL A 61 3.437 1.322 9.231 1.00 4.41 H new ATOM 0 HG21 VAL A 61 2.770 2.056 12.203 1.00 64.23 H new ATOM 0 HG22 VAL A 61 4.451 1.886 11.644 1.00 64.23 H new ATOM 0 HG23 VAL A 61 3.920 3.396 12.422 1.00 64.23 H new ATOM 1014 N ALA A 62 3.287 5.821 8.585 1.00 1.10 N ATOM 1015 CA ALA A 62 2.833 6.684 7.461 1.00 15.32 C ATOM 1016 C ALA A 62 3.999 7.109 6.548 1.00 60.15 C ATOM 1017 O ALA A 62 3.808 7.288 5.355 1.00 44.35 O ATOM 1018 CB ALA A 62 2.118 7.936 7.986 1.00 10.22 C ATOM 0 H ALA A 62 3.084 6.210 9.506 1.00 1.10 H new ATOM 0 HA ALA A 62 2.137 6.087 6.872 1.00 15.32 H new ATOM 0 HB1 ALA A 62 1.796 8.550 7.145 1.00 10.22 H new ATOM 0 HB2 ALA A 62 1.249 7.639 8.573 1.00 10.22 H new ATOM 0 HB3 ALA A 62 2.801 8.509 8.613 1.00 10.22 H new ATOM 1024 N LYS A 63 5.189 7.289 7.149 1.00 14.25 N ATOM 1025 CA LYS A 63 6.446 7.622 6.431 1.00 14.54 C ATOM 1026 C LYS A 63 6.854 6.490 5.452 1.00 25.45 C ATOM 1027 O LYS A 63 7.353 6.751 4.346 1.00 4.25 O ATOM 1028 CB LYS A 63 7.565 7.866 7.477 1.00 64.32 C ATOM 1029 CG LYS A 63 8.925 8.328 6.911 1.00 54.41 C ATOM 1030 CD LYS A 63 10.010 8.432 8.012 1.00 65.22 C ATOM 1031 CE LYS A 63 11.365 8.923 7.481 1.00 5.21 C ATOM 1032 NZ LYS A 63 11.896 8.050 6.401 1.00 52.14 N ATOM 0 H LYS A 63 5.313 7.208 8.158 1.00 14.25 H new ATOM 0 HA LYS A 63 6.290 8.522 5.836 1.00 14.54 H new ATOM 0 HB2 LYS A 63 7.215 8.615 8.187 1.00 64.32 H new ATOM 0 HB3 LYS A 63 7.720 6.944 8.037 1.00 64.32 H new ATOM 0 HG2 LYS A 63 9.254 7.628 6.143 1.00 54.41 H new ATOM 0 HG3 LYS A 63 8.805 9.298 6.428 1.00 54.41 H new ATOM 0 HD2 LYS A 63 9.664 9.112 8.791 1.00 65.22 H new ATOM 0 HD3 LYS A 63 10.142 7.455 8.477 1.00 65.22 H new ATOM 0 HE2 LYS A 63 11.258 9.940 7.104 1.00 5.21 H new ATOM 0 HE3 LYS A 63 12.082 8.961 8.301 1.00 5.21 H new ATOM 0 HZ1 LYS A 63 12.862 8.349 6.156 1.00 52.14 H new ATOM 0 HZ2 LYS A 63 11.912 7.063 6.729 1.00 52.14 H new ATOM 0 HZ3 LYS A 63 11.287 8.126 5.562 1.00 52.14 H new ATOM 1046 N VAL A 64 6.630 5.234 5.880 1.00 51.41 N ATOM 1047 CA VAL A 64 6.871 4.033 5.044 1.00 22.02 C ATOM 1048 C VAL A 64 5.862 3.970 3.870 1.00 45.11 C ATOM 1049 O VAL A 64 6.248 3.767 2.727 1.00 23.02 O ATOM 1050 CB VAL A 64 6.779 2.713 5.900 1.00 11.32 C ATOM 1051 CG1 VAL A 64 7.048 1.446 5.042 1.00 42.34 C ATOM 1052 CG2 VAL A 64 7.734 2.775 7.120 1.00 24.43 C ATOM 0 H VAL A 64 6.278 5.018 6.813 1.00 51.41 H new ATOM 0 HA VAL A 64 7.880 4.112 4.640 1.00 22.02 H new ATOM 0 HB VAL A 64 5.757 2.638 6.272 1.00 11.32 H new ATOM 0 HG11 VAL A 64 6.975 0.559 5.671 1.00 42.34 H new ATOM 0 HG12 VAL A 64 6.311 1.385 4.242 1.00 42.34 H new ATOM 0 HG13 VAL A 64 8.047 1.504 4.611 1.00 42.34 H new ATOM 0 HG21 VAL A 64 7.651 1.852 7.694 1.00 24.43 H new ATOM 0 HG22 VAL A 64 8.760 2.896 6.773 1.00 24.43 H new ATOM 0 HG23 VAL A 64 7.463 3.621 7.752 1.00 24.43 H new ATOM 1062 N LEU A 65 4.569 4.162 4.170 1.00 55.22 N ATOM 1063 CA LEU A 65 3.483 4.159 3.147 1.00 5.15 C ATOM 1064 C LEU A 65 3.582 5.378 2.197 1.00 1.43 C ATOM 1065 O LEU A 65 3.173 5.308 1.029 1.00 42.32 O ATOM 1066 CB LEU A 65 2.081 4.071 3.825 1.00 50.13 C ATOM 1067 CG LEU A 65 1.652 2.654 4.336 1.00 61.31 C ATOM 1068 CD1 LEU A 65 1.567 1.643 3.169 1.00 74.24 C ATOM 1069 CD2 LEU A 65 2.584 2.134 5.446 1.00 51.11 C ATOM 0 H LEU A 65 4.235 4.324 5.120 1.00 55.22 H new ATOM 0 HA LEU A 65 3.613 3.269 2.531 1.00 5.15 H new ATOM 0 HB2 LEU A 65 2.064 4.760 4.669 1.00 50.13 H new ATOM 0 HB3 LEU A 65 1.333 4.420 3.113 1.00 50.13 H new ATOM 0 HG LEU A 65 0.658 2.759 4.770 1.00 61.31 H new ATOM 0 HD11 LEU A 65 1.267 0.668 3.553 1.00 74.24 H new ATOM 0 HD12 LEU A 65 0.832 1.988 2.442 1.00 74.24 H new ATOM 0 HD13 LEU A 65 2.542 1.559 2.688 1.00 74.24 H new ATOM 0 HD21 LEU A 65 2.249 1.149 5.770 1.00 51.11 H new ATOM 0 HD22 LEU A 65 3.602 2.063 5.063 1.00 51.11 H new ATOM 0 HD23 LEU A 65 2.562 2.821 6.292 1.00 51.11 H new ATOM 1081 N HIS A 66 4.157 6.473 2.709 1.00 53.31 N ATOM 1082 CA HIS A 66 4.411 7.710 1.944 1.00 62.10 C ATOM 1083 C HIS A 66 5.439 7.463 0.809 1.00 72.12 C ATOM 1084 O HIS A 66 5.429 8.180 -0.198 1.00 62.01 O ATOM 1085 CB HIS A 66 4.871 8.839 2.902 1.00 54.41 C ATOM 1086 CG HIS A 66 4.937 10.208 2.275 1.00 4.23 C ATOM 1087 ND1 HIS A 66 6.034 10.683 1.587 1.00 4.40 N ATOM 1088 CD2 HIS A 66 4.012 11.195 2.217 1.00 21.12 C ATOM 1089 CE1 HIS A 66 5.781 11.893 1.139 1.00 12.43 C ATOM 1090 NE2 HIS A 66 4.563 12.226 1.504 1.00 62.45 N ATOM 0 H HIS A 66 4.465 6.530 3.680 1.00 53.31 H new ATOM 0 HA HIS A 66 3.483 8.027 1.468 1.00 62.10 H new ATOM 0 HB2 HIS A 66 4.190 8.876 3.752 1.00 54.41 H new ATOM 0 HB3 HIS A 66 5.856 8.586 3.294 1.00 54.41 H new ATOM 0 HD2 HIS A 66 3.024 11.173 2.652 1.00 21.12 H new ATOM 0 HE1 HIS A 66 6.459 12.509 0.568 1.00 12.43 H new ATOM 0 HE2 HIS A 66 4.102 13.111 1.290 1.00 62.45 H new ATOM 1099 N THR A 67 6.332 6.451 0.982 1.00 70.45 N ATOM 1100 CA THR A 67 7.332 6.098 -0.070 1.00 43.11 C ATOM 1101 C THR A 67 6.629 5.554 -1.334 1.00 3.33 C ATOM 1102 O THR A 67 7.021 5.889 -2.449 1.00 72.32 O ATOM 1103 CB THR A 67 8.402 5.044 0.390 1.00 11.01 C ATOM 1104 OG1 THR A 67 7.816 3.735 0.508 1.00 73.14 O ATOM 1105 CG2 THR A 67 9.050 5.425 1.726 1.00 13.23 C ATOM 0 H THR A 67 6.383 5.874 1.822 1.00 70.45 H new ATOM 0 HA THR A 67 7.857 7.030 -0.282 1.00 43.11 H new ATOM 0 HB THR A 67 9.176 5.033 -0.378 1.00 11.01 H new ATOM 0 HG1 THR A 67 7.280 3.689 1.327 1.00 73.14 H new ATOM 0 HG21 THR A 67 9.783 4.668 2.004 1.00 13.23 H new ATOM 0 HG22 THR A 67 9.546 6.391 1.628 1.00 13.23 H new ATOM 0 HG23 THR A 67 8.283 5.488 2.498 1.00 13.23 H new ATOM 1113 N ILE A 68 5.578 4.723 -1.128 1.00 41.12 N ATOM 1114 CA ILE A 68 4.738 4.185 -2.231 1.00 55.33 C ATOM 1115 C ILE A 68 3.984 5.341 -2.935 1.00 41.00 C ATOM 1116 O ILE A 68 3.924 5.398 -4.155 1.00 53.10 O ATOM 1117 CB ILE A 68 3.686 3.097 -1.747 1.00 11.05 C ATOM 1118 CG1 ILE A 68 4.363 1.858 -1.057 1.00 73.40 C ATOM 1119 CG2 ILE A 68 2.784 2.625 -2.916 1.00 51.31 C ATOM 1120 CD1 ILE A 68 4.781 2.064 0.387 1.00 42.34 C ATOM 0 H ILE A 68 5.289 4.408 -0.202 1.00 41.12 H new ATOM 0 HA ILE A 68 5.420 3.691 -2.923 1.00 55.33 H new ATOM 0 HB ILE A 68 3.068 3.591 -0.997 1.00 11.05 H new ATOM 0 HG12 ILE A 68 3.671 1.017 -1.101 1.00 73.40 H new ATOM 0 HG13 ILE A 68 5.243 1.577 -1.636 1.00 73.40 H new ATOM 0 HG21 ILE A 68 2.076 1.881 -2.552 1.00 51.31 H new ATOM 0 HG22 ILE A 68 2.239 3.477 -3.322 1.00 51.31 H new ATOM 0 HG23 ILE A 68 3.403 2.184 -3.698 1.00 51.31 H new ATOM 0 HD11 ILE A 68 5.237 1.150 0.768 1.00 42.34 H new ATOM 0 HD12 ILE A 68 5.501 2.880 0.444 1.00 42.34 H new ATOM 0 HD13 ILE A 68 3.905 2.310 0.988 1.00 42.34 H new ATOM 1132 N MET A 69 3.431 6.267 -2.131 1.00 55.43 N ATOM 1133 CA MET A 69 2.725 7.476 -2.637 1.00 60.40 C ATOM 1134 C MET A 69 3.653 8.342 -3.535 1.00 62.42 C ATOM 1135 O MET A 69 3.233 8.870 -4.560 1.00 54.54 O ATOM 1136 CB MET A 69 2.219 8.322 -1.443 1.00 64.25 C ATOM 1137 CG MET A 69 1.258 7.587 -0.503 1.00 34.32 C ATOM 1138 SD MET A 69 -0.407 7.382 -1.180 1.00 10.51 S ATOM 1139 CE MET A 69 -0.994 9.079 -1.242 1.00 44.04 C ATOM 0 H MET A 69 3.456 6.206 -1.113 1.00 55.43 H new ATOM 0 HA MET A 69 1.881 7.146 -3.242 1.00 60.40 H new ATOM 0 HB2 MET A 69 3.079 8.665 -0.867 1.00 64.25 H new ATOM 0 HB3 MET A 69 1.720 9.210 -1.830 1.00 64.25 H new ATOM 0 HG2 MET A 69 1.670 6.605 -0.272 1.00 34.32 H new ATOM 0 HG3 MET A 69 1.193 8.135 0.437 1.00 34.32 H new ATOM 0 HE1 MET A 69 -2.079 9.085 -1.345 1.00 44.04 H new ATOM 0 HE2 MET A 69 -0.714 9.595 -0.324 1.00 44.04 H new ATOM 0 HE3 MET A 69 -0.546 9.588 -2.095 1.00 44.04 H new ATOM 1149 N ASN A 70 4.919 8.443 -3.126 1.00 5.55 N ATOM 1150 CA ASN A 70 5.963 9.214 -3.839 1.00 0.04 C ATOM 1151 C ASN A 70 6.424 8.464 -5.130 1.00 34.33 C ATOM 1152 O ASN A 70 6.750 9.077 -6.156 1.00 51.13 O ATOM 1153 CB ASN A 70 7.152 9.415 -2.856 1.00 23.45 C ATOM 1154 CG ASN A 70 8.133 10.532 -3.247 1.00 34.41 C ATOM 1155 OD1 ASN A 70 8.315 10.861 -4.409 1.00 71.12 O ATOM 1156 ND2 ASN A 70 8.783 11.125 -2.265 1.00 63.42 N ATOM 0 H ASN A 70 5.262 7.989 -2.280 1.00 5.55 H new ATOM 0 HA ASN A 70 5.570 10.180 -4.157 1.00 0.04 H new ATOM 0 HB2 ASN A 70 6.753 9.632 -1.865 1.00 23.45 H new ATOM 0 HB3 ASN A 70 7.703 8.478 -2.779 1.00 23.45 H new ATOM 0 HD21 ASN A 70 9.449 11.870 -2.471 1.00 63.42 H new ATOM 0 HD22 ASN A 70 8.620 10.839 -1.300 1.00 63.42 H new ATOM 1163 N LEU A 71 6.439 7.128 -5.036 1.00 64.14 N ATOM 1164 CA LEU A 71 6.924 6.218 -6.097 1.00 24.13 C ATOM 1165 C LEU A 71 5.899 6.135 -7.270 1.00 14.15 C ATOM 1166 O LEU A 71 6.229 6.412 -8.428 1.00 43.15 O ATOM 1167 CB LEU A 71 7.188 4.819 -5.434 1.00 4.15 C ATOM 1168 CG LEU A 71 8.112 3.807 -6.185 1.00 71.21 C ATOM 1169 CD1 LEU A 71 8.546 2.643 -5.252 1.00 32.41 C ATOM 1170 CD2 LEU A 71 7.435 3.252 -7.456 1.00 53.42 C ATOM 0 H LEU A 71 6.109 6.634 -4.207 1.00 64.14 H new ATOM 0 HA LEU A 71 7.849 6.591 -6.536 1.00 24.13 H new ATOM 0 HB2 LEU A 71 7.618 4.994 -4.448 1.00 4.15 H new ATOM 0 HB3 LEU A 71 6.223 4.337 -5.279 1.00 4.15 H new ATOM 0 HG LEU A 71 9.003 4.355 -6.491 1.00 71.21 H new ATOM 0 HD11 LEU A 71 9.188 1.955 -5.803 1.00 32.41 H new ATOM 0 HD12 LEU A 71 9.092 3.045 -4.399 1.00 32.41 H new ATOM 0 HD13 LEU A 71 7.663 2.111 -4.899 1.00 32.41 H new ATOM 0 HD21 LEU A 71 8.108 2.552 -7.951 1.00 53.42 H new ATOM 0 HD22 LEU A 71 6.514 2.738 -7.182 1.00 53.42 H new ATOM 0 HD23 LEU A 71 7.204 4.074 -8.134 1.00 53.42 H new ATOM 1182 N VAL A 72 4.668 5.732 -6.931 1.00 1.03 N ATOM 1183 CA VAL A 72 3.538 5.575 -7.883 1.00 13.40 C ATOM 1184 C VAL A 72 3.151 6.917 -8.570 1.00 64.43 C ATOM 1185 O VAL A 72 2.732 6.928 -9.730 1.00 62.23 O ATOM 1186 CB VAL A 72 2.294 4.944 -7.146 1.00 4.15 C ATOM 1187 CG1 VAL A 72 1.095 4.754 -8.100 1.00 31.40 C ATOM 1188 CG2 VAL A 72 2.672 3.594 -6.484 1.00 70.01 C ATOM 0 H VAL A 72 4.415 5.499 -5.971 1.00 1.03 H new ATOM 0 HA VAL A 72 3.866 4.901 -8.674 1.00 13.40 H new ATOM 0 HB VAL A 72 1.992 5.646 -6.369 1.00 4.15 H new ATOM 0 HG11 VAL A 72 0.260 4.317 -7.552 1.00 31.40 H new ATOM 0 HG12 VAL A 72 0.797 5.720 -8.506 1.00 31.40 H new ATOM 0 HG13 VAL A 72 1.381 4.090 -8.916 1.00 31.40 H new ATOM 0 HG21 VAL A 72 1.799 3.178 -5.982 1.00 70.01 H new ATOM 0 HG22 VAL A 72 3.017 2.898 -7.248 1.00 70.01 H new ATOM 0 HG23 VAL A 72 3.466 3.756 -5.755 1.00 70.01 H new ATOM 1198 N ASP A 73 3.323 8.043 -7.850 1.00 14.04 N ATOM 1199 CA ASP A 73 3.116 9.411 -8.400 1.00 53.05 C ATOM 1200 C ASP A 73 4.017 9.669 -9.649 1.00 40.05 C ATOM 1201 O ASP A 73 3.598 10.329 -10.607 1.00 54.41 O ATOM 1202 CB ASP A 73 3.398 10.454 -7.290 1.00 41.02 C ATOM 1203 CG ASP A 73 3.106 11.903 -7.720 1.00 2.10 C ATOM 1204 OD1 ASP A 73 1.926 12.315 -7.686 1.00 45.50 O ATOM 1205 OD2 ASP A 73 4.054 12.634 -8.094 1.00 21.12 O ATOM 0 H ASP A 73 3.609 8.037 -6.871 1.00 14.04 H new ATOM 0 HA ASP A 73 2.081 9.503 -8.730 1.00 53.05 H new ATOM 0 HB2 ASP A 73 2.794 10.214 -6.415 1.00 41.02 H new ATOM 0 HB3 ASP A 73 4.442 10.377 -6.987 1.00 41.02 H new ATOM 1210 N LYS A 74 5.252 9.127 -9.612 1.00 24.32 N ATOM 1211 CA LYS A 74 6.205 9.175 -10.750 1.00 14.44 C ATOM 1212 C LYS A 74 5.731 8.309 -11.941 1.00 50.22 C ATOM 1213 O LYS A 74 5.923 8.673 -13.102 1.00 3.41 O ATOM 1214 CB LYS A 74 7.606 8.722 -10.285 1.00 74.24 C ATOM 1215 CG LYS A 74 8.279 9.726 -9.337 1.00 51.00 C ATOM 1216 CD LYS A 74 9.675 9.271 -8.874 1.00 33.24 C ATOM 1217 CE LYS A 74 10.359 10.325 -7.992 1.00 33.21 C ATOM 1218 NZ LYS A 74 9.599 10.601 -6.743 1.00 13.10 N ATOM 0 H LYS A 74 5.621 8.643 -8.794 1.00 24.32 H new ATOM 0 HA LYS A 74 6.253 10.207 -11.097 1.00 14.44 H new ATOM 0 HB2 LYS A 74 7.522 7.758 -9.784 1.00 74.24 H new ATOM 0 HB3 LYS A 74 8.242 8.573 -11.158 1.00 74.24 H new ATOM 0 HG2 LYS A 74 8.365 10.690 -9.838 1.00 51.00 H new ATOM 0 HG3 LYS A 74 7.643 9.876 -8.464 1.00 51.00 H new ATOM 0 HD2 LYS A 74 9.587 8.336 -8.320 1.00 33.24 H new ATOM 0 HD3 LYS A 74 10.298 9.068 -9.745 1.00 33.24 H new ATOM 0 HE2 LYS A 74 11.362 9.984 -7.736 1.00 33.21 H new ATOM 0 HE3 LYS A 74 10.471 11.250 -8.557 1.00 33.21 H new ATOM 0 HZ1 LYS A 74 10.233 10.510 -5.924 1.00 13.10 H new ATOM 0 HZ2 LYS A 74 9.214 11.567 -6.777 1.00 13.10 H new ATOM 0 HZ3 LYS A 74 8.818 9.920 -6.654 1.00 13.10 H new ATOM 1232 N MET A 75 5.120 7.158 -11.633 1.00 53.24 N ATOM 1233 CA MET A 75 4.564 6.241 -12.651 1.00 55.05 C ATOM 1234 C MET A 75 3.401 6.900 -13.440 1.00 71.30 C ATOM 1235 O MET A 75 3.336 6.771 -14.667 1.00 24.54 O ATOM 1236 CB MET A 75 4.084 4.936 -11.969 1.00 24.41 C ATOM 1237 CG MET A 75 5.205 4.089 -11.354 1.00 50.00 C ATOM 1238 SD MET A 75 4.549 2.685 -10.434 1.00 23.44 S ATOM 1239 CE MET A 75 5.985 1.631 -10.299 1.00 15.35 C ATOM 0 H MET A 75 4.994 6.832 -10.675 1.00 53.24 H new ATOM 0 HA MET A 75 5.352 6.008 -13.367 1.00 55.05 H new ATOM 0 HB2 MET A 75 3.369 5.192 -11.187 1.00 24.41 H new ATOM 0 HB3 MET A 75 3.551 4.332 -12.704 1.00 24.41 H new ATOM 0 HG2 MET A 75 5.866 3.731 -12.143 1.00 50.00 H new ATOM 0 HG3 MET A 75 5.808 4.709 -10.691 1.00 50.00 H new ATOM 0 HE1 MET A 75 5.757 0.787 -9.648 1.00 15.35 H new ATOM 0 HE2 MET A 75 6.260 1.263 -11.287 1.00 15.35 H new ATOM 0 HE3 MET A 75 6.815 2.199 -9.879 1.00 15.35 H new ATOM 1249 N LEU A 76 2.517 7.623 -12.705 1.00 12.34 N ATOM 1250 CA LEU A 76 1.316 8.323 -13.267 1.00 53.11 C ATOM 1251 C LEU A 76 1.658 9.248 -14.471 1.00 0.02 C ATOM 1252 O LEU A 76 0.863 9.374 -15.410 1.00 70.11 O ATOM 1253 CB LEU A 76 0.591 9.122 -12.127 1.00 41.42 C ATOM 1254 CG LEU A 76 -0.635 8.408 -11.451 1.00 4.32 C ATOM 1255 CD1 LEU A 76 -0.282 6.994 -10.930 1.00 64.31 C ATOM 1256 CD2 LEU A 76 -1.235 9.281 -10.322 1.00 45.15 C ATOM 0 H LEU A 76 2.612 7.742 -11.696 1.00 12.34 H new ATOM 0 HA LEU A 76 0.645 7.559 -13.660 1.00 53.11 H new ATOM 0 HB2 LEU A 76 1.322 9.354 -11.353 1.00 41.42 H new ATOM 0 HB3 LEU A 76 0.250 10.072 -12.538 1.00 41.42 H new ATOM 0 HG LEU A 76 -1.391 8.281 -12.226 1.00 4.32 H new ATOM 0 HD11 LEU A 76 -1.163 6.544 -10.472 1.00 64.31 H new ATOM 0 HD12 LEU A 76 0.052 6.373 -11.761 1.00 64.31 H new ATOM 0 HD13 LEU A 76 0.514 7.067 -10.189 1.00 64.31 H new ATOM 0 HD21 LEU A 76 -2.082 8.762 -9.872 1.00 45.15 H new ATOM 0 HD22 LEU A 76 -0.476 9.465 -9.562 1.00 45.15 H new ATOM 0 HD23 LEU A 76 -1.571 10.232 -10.736 1.00 45.15 H new ATOM 1268 N ASN A 77 2.833 9.892 -14.426 1.00 32.10 N ATOM 1269 CA ASN A 77 3.362 10.693 -15.556 1.00 14.21 C ATOM 1270 C ASN A 77 4.384 9.871 -16.390 1.00 1.12 C ATOM 1271 O ASN A 77 5.368 9.345 -15.863 1.00 33.21 O ATOM 1272 CB ASN A 77 3.973 12.037 -15.057 1.00 35.42 C ATOM 1273 CG ASN A 77 4.628 11.951 -13.676 1.00 33.40 C ATOM 1274 OD1 ASN A 77 4.024 12.303 -12.670 1.00 12.50 O ATOM 1275 ND2 ASN A 77 5.834 11.433 -13.608 1.00 1.25 N ATOM 0 H ASN A 77 3.447 9.877 -13.612 1.00 32.10 H new ATOM 0 HA ASN A 77 2.528 10.942 -16.213 1.00 14.21 H new ATOM 0 HB2 ASN A 77 4.716 12.376 -15.779 1.00 35.42 H new ATOM 0 HB3 ASN A 77 3.188 12.792 -15.028 1.00 35.42 H new ATOM 0 HD21 ASN A 77 6.289 11.316 -12.702 1.00 1.25 H new ATOM 0 HD22 ASN A 77 6.315 11.148 -14.461 1.00 1.25 H new ATOM 1282 N SER A 78 4.146 9.826 -17.719 1.00 22.21 N ATOM 1283 CA SER A 78 4.910 8.986 -18.689 1.00 34.01 C ATOM 1284 C SER A 78 6.360 9.497 -18.932 1.00 30.45 C ATOM 1285 O SER A 78 7.125 8.886 -19.691 1.00 31.35 O ATOM 1286 CB SER A 78 4.111 8.929 -20.019 1.00 3.13 C ATOM 1287 OG SER A 78 4.680 8.033 -20.965 1.00 20.35 O ATOM 0 H SER A 78 3.410 10.376 -18.162 1.00 22.21 H new ATOM 0 HA SER A 78 5.021 7.988 -18.265 1.00 34.01 H new ATOM 0 HB2 SER A 78 3.085 8.625 -19.809 1.00 3.13 H new ATOM 0 HB3 SER A 78 4.065 9.928 -20.453 1.00 3.13 H new ATOM 0 HG SER A 78 5.647 7.972 -20.818 1.00 20.35 H new ATOM 1293 N GLU A 79 6.731 10.606 -18.259 1.00 53.54 N ATOM 1294 CA GLU A 79 8.094 11.189 -18.320 1.00 53.03 C ATOM 1295 C GLU A 79 9.137 10.262 -17.639 1.00 61.41 C ATOM 1296 O GLU A 79 10.319 10.246 -18.001 1.00 31.43 O ATOM 1297 CB GLU A 79 8.085 12.583 -17.624 1.00 13.43 C ATOM 1298 CG GLU A 79 7.678 12.549 -16.139 1.00 71.24 C ATOM 1299 CD GLU A 79 7.775 13.905 -15.429 1.00 41.23 C ATOM 1300 OE1 GLU A 79 8.901 14.304 -15.056 1.00 1.15 O ATOM 1301 OE2 GLU A 79 6.738 14.575 -15.238 1.00 30.11 O ATOM 0 H GLU A 79 6.094 11.126 -17.655 1.00 53.54 H new ATOM 0 HA GLU A 79 8.379 11.297 -19.366 1.00 53.03 H new ATOM 0 HB2 GLU A 79 9.079 13.023 -17.706 1.00 13.43 H new ATOM 0 HB3 GLU A 79 7.400 13.239 -18.161 1.00 13.43 H new ATOM 0 HG2 GLU A 79 6.654 12.184 -16.063 1.00 71.24 H new ATOM 0 HG3 GLU A 79 8.311 11.832 -15.617 1.00 71.24 H new ATOM 1308 N ILE A 80 8.662 9.497 -16.645 1.00 34.43 N ATOM 1309 CA ILE A 80 9.485 8.585 -15.826 1.00 22.31 C ATOM 1310 C ILE A 80 9.438 7.150 -16.400 1.00 23.13 C ATOM 1311 O ILE A 80 10.454 6.442 -16.415 1.00 41.13 O ATOM 1312 CB ILE A 80 8.950 8.595 -14.341 1.00 63.13 C ATOM 1313 CG1 ILE A 80 8.912 10.058 -13.776 1.00 60.14 C ATOM 1314 CG2 ILE A 80 9.756 7.650 -13.410 1.00 41.02 C ATOM 1315 CD1 ILE A 80 10.265 10.692 -13.476 1.00 63.21 C ATOM 0 H ILE A 80 7.677 9.492 -16.380 1.00 34.43 H new ATOM 0 HA ILE A 80 10.521 8.925 -15.843 1.00 22.31 H new ATOM 0 HB ILE A 80 7.932 8.207 -14.364 1.00 63.13 H new ATOM 0 HG12 ILE A 80 8.388 10.690 -14.493 1.00 60.14 H new ATOM 0 HG13 ILE A 80 8.322 10.058 -12.860 1.00 60.14 H new ATOM 0 HG21 ILE A 80 9.346 7.696 -12.401 1.00 41.02 H new ATOM 0 HG22 ILE A 80 9.689 6.628 -13.783 1.00 41.02 H new ATOM 0 HG23 ILE A 80 10.800 7.962 -13.391 1.00 41.02 H new ATOM 0 HD11 ILE A 80 10.117 11.701 -13.091 1.00 63.21 H new ATOM 0 HD12 ILE A 80 10.790 10.093 -12.732 1.00 63.21 H new ATOM 0 HD13 ILE A 80 10.857 10.736 -14.390 1.00 63.21 H new ATOM 1327 N LYS A 81 8.232 6.752 -16.877 1.00 74.15 N ATOM 1328 CA LYS A 81 7.899 5.369 -17.317 1.00 43.35 C ATOM 1329 C LYS A 81 7.966 4.348 -16.147 1.00 54.43 C ATOM 1330 O LYS A 81 8.503 4.629 -15.066 1.00 53.51 O ATOM 1331 CB LYS A 81 8.776 4.888 -18.515 1.00 40.21 C ATOM 1332 CG LYS A 81 8.609 5.706 -19.817 1.00 33.02 C ATOM 1333 CD LYS A 81 9.494 5.172 -20.972 1.00 2.03 C ATOM 1334 CE LYS A 81 9.136 3.727 -21.386 1.00 43.01 C ATOM 1335 NZ LYS A 81 10.060 3.196 -22.422 1.00 22.31 N ATOM 0 H LYS A 81 7.446 7.395 -16.969 1.00 74.15 H new ATOM 0 HA LYS A 81 6.867 5.414 -17.666 1.00 43.35 H new ATOM 0 HB2 LYS A 81 9.823 4.920 -18.215 1.00 40.21 H new ATOM 0 HB3 LYS A 81 8.537 3.846 -18.725 1.00 40.21 H new ATOM 0 HG2 LYS A 81 7.564 5.684 -20.125 1.00 33.02 H new ATOM 0 HG3 LYS A 81 8.862 6.748 -19.622 1.00 33.02 H new ATOM 0 HD2 LYS A 81 9.390 5.828 -21.836 1.00 2.03 H new ATOM 0 HD3 LYS A 81 10.540 5.209 -20.668 1.00 2.03 H new ATOM 0 HE2 LYS A 81 9.167 3.081 -20.509 1.00 43.01 H new ATOM 0 HE3 LYS A 81 8.114 3.702 -21.765 1.00 43.01 H new ATOM 0 HZ1 LYS A 81 9.783 2.225 -22.670 1.00 22.31 H new ATOM 0 HZ2 LYS A 81 10.013 3.796 -23.270 1.00 22.31 H new ATOM 0 HZ3 LYS A 81 11.032 3.195 -22.052 1.00 22.31 H new ATOM 1349 N ILE A 82 7.403 3.151 -16.375 1.00 52.23 N ATOM 1350 CA ILE A 82 7.271 2.117 -15.328 1.00 11.01 C ATOM 1351 C ILE A 82 8.282 0.983 -15.573 1.00 50.35 C ATOM 1352 O ILE A 82 8.096 0.149 -16.468 1.00 74.43 O ATOM 1353 CB ILE A 82 5.792 1.543 -15.227 1.00 50.51 C ATOM 1354 CG1 ILE A 82 4.742 2.675 -14.935 1.00 2.10 C ATOM 1355 CG2 ILE A 82 5.689 0.442 -14.145 1.00 2.43 C ATOM 1356 CD1 ILE A 82 4.427 3.601 -16.101 1.00 51.11 C ATOM 0 H ILE A 82 7.028 2.871 -17.281 1.00 52.23 H new ATOM 0 HA ILE A 82 7.490 2.591 -14.371 1.00 11.01 H new ATOM 0 HB ILE A 82 5.561 1.106 -16.198 1.00 50.51 H new ATOM 0 HG12 ILE A 82 3.814 2.208 -14.605 1.00 2.10 H new ATOM 0 HG13 ILE A 82 5.108 3.279 -14.104 1.00 2.10 H new ATOM 0 HG21 ILE A 82 4.665 0.070 -14.101 1.00 2.43 H new ATOM 0 HG22 ILE A 82 6.363 -0.378 -14.395 1.00 2.43 H new ATOM 0 HG23 ILE A 82 5.966 0.857 -13.176 1.00 2.43 H new ATOM 0 HD11 ILE A 82 3.692 4.343 -15.788 1.00 51.11 H new ATOM 0 HD12 ILE A 82 5.338 4.106 -16.421 1.00 51.11 H new ATOM 0 HD13 ILE A 82 4.025 3.019 -16.930 1.00 51.11 H new ATOM 1368 N THR A 83 9.383 1.004 -14.797 1.00 55.03 N ATOM 1369 CA THR A 83 10.407 -0.055 -14.817 1.00 62.33 C ATOM 1370 C THR A 83 9.848 -1.358 -14.192 1.00 35.41 C ATOM 1371 O THR A 83 9.113 -1.302 -13.199 1.00 4.01 O ATOM 1372 CB THR A 83 11.703 0.396 -14.048 1.00 4.52 C ATOM 1373 OG1 THR A 83 12.243 1.586 -14.639 1.00 52.31 O ATOM 1374 CG2 THR A 83 12.806 -0.689 -14.009 1.00 21.21 C ATOM 0 H THR A 83 9.586 1.756 -14.139 1.00 55.03 H new ATOM 0 HA THR A 83 10.673 -0.244 -15.857 1.00 62.33 H new ATOM 0 HB THR A 83 11.392 0.582 -13.020 1.00 4.52 H new ATOM 0 HG1 THR A 83 13.048 1.858 -14.151 1.00 52.31 H new ATOM 0 HG21 THR A 83 13.670 -0.310 -13.463 1.00 21.21 H new ATOM 0 HG22 THR A 83 12.423 -1.579 -13.509 1.00 21.21 H new ATOM 0 HG23 THR A 83 13.102 -0.943 -15.027 1.00 21.21 H new ATOM 1382 N SER A 84 10.204 -2.518 -14.786 1.00 21.44 N ATOM 1383 CA SER A 84 9.770 -3.856 -14.304 1.00 13.23 C ATOM 1384 C SER A 84 10.130 -4.073 -12.809 1.00 53.32 C ATOM 1385 O SER A 84 9.246 -4.304 -11.983 1.00 55.53 O ATOM 1386 CB SER A 84 10.408 -4.967 -15.173 1.00 53.01 C ATOM 1387 OG SER A 84 10.009 -6.258 -14.748 1.00 62.11 O ATOM 0 H SER A 84 10.800 -2.558 -15.613 1.00 21.44 H new ATOM 0 HA SER A 84 8.685 -3.905 -14.393 1.00 13.23 H new ATOM 0 HB2 SER A 84 10.123 -4.823 -16.215 1.00 53.01 H new ATOM 0 HB3 SER A 84 11.494 -4.888 -15.126 1.00 53.01 H new ATOM 0 HG SER A 84 10.429 -6.935 -15.319 1.00 62.11 H new ATOM 1393 N ASP A 85 11.429 -3.941 -12.472 1.00 75.11 N ATOM 1394 CA ASP A 85 11.932 -4.082 -11.078 1.00 55.23 C ATOM 1395 C ASP A 85 11.417 -2.969 -10.127 1.00 24.21 C ATOM 1396 O ASP A 85 11.449 -3.128 -8.903 1.00 43.15 O ATOM 1397 CB ASP A 85 13.473 -4.107 -11.073 1.00 12.12 C ATOM 1398 CG ASP A 85 14.057 -5.320 -11.821 1.00 15.20 C ATOM 1399 OD1 ASP A 85 14.146 -5.277 -13.071 1.00 61.45 O ATOM 1400 OD2 ASP A 85 14.429 -6.325 -11.166 1.00 72.43 O ATOM 0 H ASP A 85 12.162 -3.734 -13.151 1.00 75.11 H new ATOM 0 HA ASP A 85 11.540 -5.026 -10.698 1.00 55.23 H new ATOM 0 HB2 ASP A 85 13.847 -3.191 -11.530 1.00 12.12 H new ATOM 0 HB3 ASP A 85 13.827 -4.117 -10.042 1.00 12.12 H new ATOM 1405 N LEU A 86 10.954 -1.838 -10.685 1.00 32.01 N ATOM 1406 CA LEU A 86 10.393 -0.731 -9.872 1.00 15.41 C ATOM 1407 C LEU A 86 9.014 -1.122 -9.287 1.00 1.01 C ATOM 1408 O LEU A 86 8.663 -0.725 -8.167 1.00 50.45 O ATOM 1409 CB LEU A 86 10.271 0.563 -10.703 1.00 63.30 C ATOM 1410 CG LEU A 86 9.867 1.829 -9.899 1.00 12.55 C ATOM 1411 CD1 LEU A 86 11.012 2.309 -8.974 1.00 32.41 C ATOM 1412 CD2 LEU A 86 9.374 2.957 -10.837 1.00 12.22 C ATOM 0 H LEU A 86 10.954 -1.661 -11.689 1.00 32.01 H new ATOM 0 HA LEU A 86 11.081 -0.545 -9.048 1.00 15.41 H new ATOM 0 HB2 LEU A 86 11.226 0.753 -11.193 1.00 63.30 H new ATOM 0 HB3 LEU A 86 9.535 0.402 -11.491 1.00 63.30 H new ATOM 0 HG LEU A 86 9.032 1.555 -9.254 1.00 12.55 H new ATOM 0 HD11 LEU A 86 10.691 3.196 -8.428 1.00 32.41 H new ATOM 0 HD12 LEU A 86 11.263 1.519 -8.266 1.00 32.41 H new ATOM 0 HD13 LEU A 86 11.889 2.550 -9.575 1.00 32.41 H new ATOM 0 HD21 LEU A 86 9.099 3.829 -10.244 1.00 12.22 H new ATOM 0 HD22 LEU A 86 10.170 3.227 -11.531 1.00 12.22 H new ATOM 0 HD23 LEU A 86 8.506 2.611 -11.397 1.00 12.22 H new ATOM 1424 N ILE A 87 8.244 -1.908 -10.064 1.00 1.40 N ATOM 1425 CA ILE A 87 6.976 -2.525 -9.594 1.00 33.35 C ATOM 1426 C ILE A 87 7.261 -3.471 -8.396 1.00 62.35 C ATOM 1427 O ILE A 87 6.472 -3.567 -7.447 1.00 55.04 O ATOM 1428 CB ILE A 87 6.295 -3.368 -10.739 1.00 1.12 C ATOM 1429 CG1 ILE A 87 6.168 -2.541 -12.056 1.00 33.20 C ATOM 1430 CG2 ILE A 87 4.913 -3.925 -10.311 1.00 63.20 C ATOM 1431 CD1 ILE A 87 5.725 -3.344 -13.275 1.00 70.33 C ATOM 0 H ILE A 87 8.476 -2.136 -11.031 1.00 1.40 H new ATOM 0 HA ILE A 87 6.307 -1.718 -9.294 1.00 33.35 H new ATOM 0 HB ILE A 87 6.948 -4.220 -10.930 1.00 1.12 H new ATOM 0 HG12 ILE A 87 5.456 -1.732 -11.893 1.00 33.20 H new ATOM 0 HG13 ILE A 87 7.131 -2.079 -12.273 1.00 33.20 H new ATOM 0 HG21 ILE A 87 4.482 -4.499 -11.131 1.00 63.20 H new ATOM 0 HG22 ILE A 87 5.034 -4.571 -9.441 1.00 63.20 H new ATOM 0 HG23 ILE A 87 4.250 -3.098 -10.059 1.00 63.20 H new ATOM 0 HD11 ILE A 87 5.665 -2.686 -14.142 1.00 70.33 H new ATOM 0 HD12 ILE A 87 6.447 -4.137 -13.470 1.00 70.33 H new ATOM 0 HD13 ILE A 87 4.746 -3.784 -13.085 1.00 70.33 H new ATOM 1443 N ASP A 88 8.432 -4.145 -8.462 1.00 11.45 N ATOM 1444 CA ASP A 88 8.900 -5.081 -7.419 1.00 14.23 C ATOM 1445 C ASP A 88 9.287 -4.331 -6.135 1.00 43.54 C ATOM 1446 O ASP A 88 9.217 -4.903 -5.042 1.00 71.33 O ATOM 1447 CB ASP A 88 10.086 -5.934 -7.925 1.00 72.22 C ATOM 1448 CG ASP A 88 9.670 -6.901 -9.040 1.00 32.31 C ATOM 1449 OD1 ASP A 88 9.232 -8.026 -8.726 1.00 3.23 O ATOM 1450 OD2 ASP A 88 9.765 -6.537 -10.226 1.00 23.45 O ATOM 0 H ASP A 88 9.080 -4.053 -9.244 1.00 11.45 H new ATOM 0 HA ASP A 88 8.073 -5.752 -7.186 1.00 14.23 H new ATOM 0 HB2 ASP A 88 10.874 -5.276 -8.292 1.00 72.22 H new ATOM 0 HB3 ASP A 88 10.505 -6.500 -7.093 1.00 72.22 H new ATOM 1455 N LYS A 89 9.711 -3.056 -6.278 1.00 24.45 N ATOM 1456 CA LYS A 89 10.030 -2.193 -5.123 1.00 52.13 C ATOM 1457 C LYS A 89 8.750 -1.840 -4.327 1.00 30.51 C ATOM 1458 O LYS A 89 8.757 -1.880 -3.098 1.00 52.44 O ATOM 1459 CB LYS A 89 10.777 -0.924 -5.599 1.00 14.12 C ATOM 1460 CG LYS A 89 12.208 -1.222 -6.096 1.00 73.33 C ATOM 1461 CD LYS A 89 12.973 0.031 -6.572 1.00 20.04 C ATOM 1462 CE LYS A 89 14.471 -0.247 -6.788 1.00 51.04 C ATOM 1463 NZ LYS A 89 14.718 -1.361 -7.742 1.00 54.20 N ATOM 0 H LYS A 89 9.840 -2.603 -7.183 1.00 24.45 H new ATOM 0 HA LYS A 89 10.688 -2.738 -4.446 1.00 52.13 H new ATOM 0 HB2 LYS A 89 10.209 -0.454 -6.402 1.00 14.12 H new ATOM 0 HB3 LYS A 89 10.824 -0.207 -4.779 1.00 14.12 H new ATOM 0 HG2 LYS A 89 12.771 -1.697 -5.292 1.00 73.33 H new ATOM 0 HG3 LYS A 89 12.157 -1.939 -6.916 1.00 73.33 H new ATOM 0 HD2 LYS A 89 12.534 0.390 -7.503 1.00 20.04 H new ATOM 0 HD3 LYS A 89 12.856 0.827 -5.837 1.00 20.04 H new ATOM 0 HE2 LYS A 89 14.954 0.657 -7.159 1.00 51.04 H new ATOM 0 HE3 LYS A 89 14.934 -0.485 -5.830 1.00 51.04 H new ATOM 0 HZ1 LYS A 89 15.738 -1.439 -7.928 1.00 54.20 H new ATOM 0 HZ2 LYS A 89 14.372 -2.252 -7.332 1.00 54.20 H new ATOM 0 HZ3 LYS A 89 14.217 -1.172 -8.633 1.00 54.20 H new ATOM 1477 N VAL A 90 7.654 -1.536 -5.056 1.00 43.23 N ATOM 1478 CA VAL A 90 6.304 -1.293 -4.458 1.00 70.41 C ATOM 1479 C VAL A 90 5.791 -2.569 -3.739 1.00 2.41 C ATOM 1480 O VAL A 90 5.274 -2.524 -2.614 1.00 64.54 O ATOM 1481 CB VAL A 90 5.246 -0.899 -5.562 1.00 24.12 C ATOM 1482 CG1 VAL A 90 3.902 -0.451 -4.930 1.00 1.45 C ATOM 1483 CG2 VAL A 90 5.804 0.165 -6.534 1.00 4.32 C ATOM 0 H VAL A 90 7.670 -1.450 -6.072 1.00 43.23 H new ATOM 0 HA VAL A 90 6.414 -0.473 -3.749 1.00 70.41 H new ATOM 0 HB VAL A 90 5.043 -1.794 -6.150 1.00 24.12 H new ATOM 0 HG11 VAL A 90 3.198 -0.188 -5.720 1.00 1.45 H new ATOM 0 HG12 VAL A 90 3.490 -1.266 -4.334 1.00 1.45 H new ATOM 0 HG13 VAL A 90 4.071 0.416 -4.291 1.00 1.45 H new ATOM 0 HG21 VAL A 90 5.047 0.410 -7.279 1.00 4.32 H new ATOM 0 HG22 VAL A 90 6.069 1.064 -5.977 1.00 4.32 H new ATOM 0 HG23 VAL A 90 6.690 -0.227 -7.033 1.00 4.32 H new ATOM 1493 N LYS A 91 5.959 -3.696 -4.446 1.00 53.54 N ATOM 1494 CA LYS A 91 5.538 -5.045 -4.008 1.00 63.11 C ATOM 1495 C LYS A 91 6.273 -5.451 -2.701 1.00 22.23 C ATOM 1496 O LYS A 91 5.672 -6.021 -1.789 1.00 22.43 O ATOM 1497 CB LYS A 91 5.818 -6.042 -5.186 1.00 64.22 C ATOM 1498 CG LYS A 91 4.842 -7.242 -5.333 1.00 70.52 C ATOM 1499 CD LYS A 91 5.142 -8.430 -4.398 1.00 4.32 C ATOM 1500 CE LYS A 91 4.273 -9.658 -4.729 1.00 1.21 C ATOM 1501 NZ LYS A 91 4.459 -10.113 -6.137 1.00 31.22 N ATOM 0 H LYS A 91 6.403 -3.700 -5.364 1.00 53.54 H new ATOM 0 HA LYS A 91 4.474 -5.062 -3.774 1.00 63.11 H new ATOM 0 HB2 LYS A 91 5.806 -5.478 -6.119 1.00 64.22 H new ATOM 0 HB3 LYS A 91 6.827 -6.437 -5.065 1.00 64.22 H new ATOM 0 HG2 LYS A 91 3.827 -6.894 -5.142 1.00 70.52 H new ATOM 0 HG3 LYS A 91 4.870 -7.592 -6.365 1.00 70.52 H new ATOM 0 HD2 LYS A 91 6.195 -8.699 -4.479 1.00 4.32 H new ATOM 0 HD3 LYS A 91 4.968 -8.131 -3.364 1.00 4.32 H new ATOM 0 HE2 LYS A 91 4.523 -10.472 -4.049 1.00 1.21 H new ATOM 0 HE3 LYS A 91 3.224 -9.415 -4.563 1.00 1.21 H new ATOM 0 HZ1 LYS A 91 4.097 -11.082 -6.239 1.00 31.22 H new ATOM 0 HZ2 LYS A 91 3.940 -9.480 -6.778 1.00 31.22 H new ATOM 0 HZ3 LYS A 91 5.471 -10.094 -6.377 1.00 31.22 H new ATOM 1515 N LYS A 92 7.574 -5.100 -2.630 1.00 52.33 N ATOM 1516 CA LYS A 92 8.435 -5.337 -1.450 1.00 3.41 C ATOM 1517 C LYS A 92 8.047 -4.448 -0.245 1.00 4.34 C ATOM 1518 O LYS A 92 8.111 -4.899 0.904 1.00 42.31 O ATOM 1519 CB LYS A 92 9.929 -5.137 -1.837 1.00 22.43 C ATOM 1520 CG LYS A 92 10.889 -4.904 -0.639 1.00 12.23 C ATOM 1521 CD LYS A 92 12.326 -5.403 -0.909 1.00 25.15 C ATOM 1522 CE LYS A 92 13.295 -5.116 0.250 1.00 44.03 C ATOM 1523 NZ LYS A 92 14.673 -5.592 -0.038 1.00 74.40 N ATOM 0 H LYS A 92 8.062 -4.639 -3.398 1.00 52.33 H new ATOM 0 HA LYS A 92 8.283 -6.368 -1.131 1.00 3.41 H new ATOM 0 HB2 LYS A 92 10.267 -6.014 -2.389 1.00 22.43 H new ATOM 0 HB3 LYS A 92 10.003 -4.286 -2.514 1.00 22.43 H new ATOM 0 HG2 LYS A 92 10.918 -3.840 -0.406 1.00 12.23 H new ATOM 0 HG3 LYS A 92 10.493 -5.412 0.240 1.00 12.23 H new ATOM 0 HD2 LYS A 92 12.302 -6.477 -1.096 1.00 25.15 H new ATOM 0 HD3 LYS A 92 12.704 -4.930 -1.815 1.00 25.15 H new ATOM 0 HE2 LYS A 92 13.317 -4.044 0.446 1.00 44.03 H new ATOM 0 HE3 LYS A 92 12.928 -5.598 1.156 1.00 44.03 H new ATOM 0 HZ1 LYS A 92 15.291 -5.377 0.771 1.00 74.40 H new ATOM 0 HZ2 LYS A 92 14.659 -6.619 -0.199 1.00 74.40 H new ATOM 0 HZ3 LYS A 92 15.035 -5.113 -0.887 1.00 74.40 H new ATOM 1537 N LYS A 93 7.696 -3.183 -0.518 1.00 41.21 N ATOM 1538 CA LYS A 93 7.171 -2.241 0.510 1.00 21.10 C ATOM 1539 C LYS A 93 5.915 -2.806 1.223 1.00 35.35 C ATOM 1540 O LYS A 93 5.752 -2.650 2.437 1.00 62.15 O ATOM 1541 CB LYS A 93 6.806 -0.875 -0.126 1.00 25.22 C ATOM 1542 CG LYS A 93 7.982 -0.046 -0.682 1.00 43.24 C ATOM 1543 CD LYS A 93 8.961 0.449 0.407 1.00 14.30 C ATOM 1544 CE LYS A 93 10.079 1.331 -0.185 1.00 52.01 C ATOM 1545 NZ LYS A 93 11.054 1.767 0.842 1.00 43.43 N ATOM 0 H LYS A 93 7.763 -2.775 -1.450 1.00 41.21 H new ATOM 0 HA LYS A 93 7.966 -2.109 1.244 1.00 21.10 H new ATOM 0 HB2 LYS A 93 6.099 -1.053 -0.936 1.00 25.22 H new ATOM 0 HB3 LYS A 93 6.289 -0.276 0.623 1.00 25.22 H new ATOM 0 HG2 LYS A 93 8.531 -0.649 -1.405 1.00 43.24 H new ATOM 0 HG3 LYS A 93 7.586 0.815 -1.221 1.00 43.24 H new ATOM 0 HD2 LYS A 93 8.412 1.015 1.159 1.00 14.30 H new ATOM 0 HD3 LYS A 93 9.404 -0.408 0.914 1.00 14.30 H new ATOM 0 HE2 LYS A 93 10.600 0.778 -0.966 1.00 52.01 H new ATOM 0 HE3 LYS A 93 9.636 2.208 -0.657 1.00 52.01 H new ATOM 0 HZ1 LYS A 93 11.786 2.357 0.397 1.00 43.43 H new ATOM 0 HZ2 LYS A 93 10.563 2.318 1.575 1.00 43.43 H new ATOM 0 HZ3 LYS A 93 11.498 0.932 1.276 1.00 43.43 H new ATOM 1559 N LEU A 94 5.030 -3.448 0.446 1.00 65.35 N ATOM 1560 CA LEU A 94 3.804 -4.081 0.980 1.00 42.53 C ATOM 1561 C LEU A 94 4.127 -5.408 1.714 1.00 51.53 C ATOM 1562 O LEU A 94 3.526 -5.723 2.750 1.00 55.21 O ATOM 1563 CB LEU A 94 2.791 -4.324 -0.157 1.00 1.32 C ATOM 1564 CG LEU A 94 1.404 -4.880 0.289 1.00 52.10 C ATOM 1565 CD1 LEU A 94 0.653 -3.870 1.187 1.00 60.23 C ATOM 1566 CD2 LEU A 94 0.562 -5.289 -0.927 1.00 34.43 C ATOM 0 H LEU A 94 5.138 -3.546 -0.564 1.00 65.35 H new ATOM 0 HA LEU A 94 3.362 -3.400 1.707 1.00 42.53 H new ATOM 0 HB2 LEU A 94 2.633 -3.385 -0.687 1.00 1.32 H new ATOM 0 HB3 LEU A 94 3.231 -5.022 -0.869 1.00 1.32 H new ATOM 0 HG LEU A 94 1.578 -5.774 0.888 1.00 52.10 H new ATOM 0 HD11 LEU A 94 -0.310 -4.289 1.480 1.00 60.23 H new ATOM 0 HD12 LEU A 94 1.246 -3.665 2.078 1.00 60.23 H new ATOM 0 HD13 LEU A 94 0.493 -2.943 0.637 1.00 60.23 H new ATOM 0 HD21 LEU A 94 -0.401 -5.674 -0.590 1.00 34.43 H new ATOM 0 HD22 LEU A 94 0.402 -4.422 -1.567 1.00 34.43 H new ATOM 0 HD23 LEU A 94 1.086 -6.063 -1.488 1.00 34.43 H new ATOM 1578 N ASP A 95 5.083 -6.177 1.157 1.00 30.50 N ATOM 1579 CA ASP A 95 5.664 -7.364 1.831 1.00 42.43 C ATOM 1580 C ASP A 95 6.295 -6.982 3.189 1.00 61.05 C ATOM 1581 O ASP A 95 6.283 -7.767 4.125 1.00 62.30 O ATOM 1582 CB ASP A 95 6.726 -8.048 0.919 1.00 33.43 C ATOM 1583 CG ASP A 95 6.113 -9.043 -0.078 1.00 12.43 C ATOM 1584 OD1 ASP A 95 5.472 -10.017 0.375 1.00 64.21 O ATOM 1585 OD2 ASP A 95 6.263 -8.866 -1.301 1.00 52.01 O ATOM 0 H ASP A 95 5.475 -5.998 0.233 1.00 30.50 H new ATOM 0 HA ASP A 95 4.854 -8.069 2.018 1.00 42.43 H new ATOM 0 HB2 ASP A 95 7.272 -7.281 0.369 1.00 33.43 H new ATOM 0 HB3 ASP A 95 7.451 -8.569 1.544 1.00 33.43 H new ATOM 1590 N MET A 96 6.842 -5.762 3.259 1.00 0.44 N ATOM 1591 CA MET A 96 7.424 -5.182 4.486 1.00 14.02 C ATOM 1592 C MET A 96 6.333 -4.895 5.546 1.00 60.41 C ATOM 1593 O MET A 96 6.564 -5.101 6.737 1.00 24.11 O ATOM 1594 CB MET A 96 8.209 -3.894 4.110 1.00 22.54 C ATOM 1595 CG MET A 96 8.634 -2.990 5.283 1.00 21.44 C ATOM 1596 SD MET A 96 9.566 -1.531 4.748 1.00 22.53 S ATOM 1597 CE MET A 96 11.007 -2.268 3.971 1.00 71.31 C ATOM 0 H MET A 96 6.896 -5.137 2.455 1.00 0.44 H new ATOM 0 HA MET A 96 8.111 -5.900 4.935 1.00 14.02 H new ATOM 0 HB2 MET A 96 9.104 -4.186 3.561 1.00 22.54 H new ATOM 0 HB3 MET A 96 7.595 -3.305 3.429 1.00 22.54 H new ATOM 0 HG2 MET A 96 7.746 -2.668 5.827 1.00 21.44 H new ATOM 0 HG3 MET A 96 9.242 -3.568 5.979 1.00 21.44 H new ATOM 0 HE1 MET A 96 11.797 -1.522 3.888 1.00 71.31 H new ATOM 0 HE2 MET A 96 11.359 -3.104 4.576 1.00 71.31 H new ATOM 0 HE3 MET A 96 10.741 -2.627 2.977 1.00 71.31 H new ATOM 1607 N VAL A 97 5.151 -4.420 5.096 1.00 12.24 N ATOM 1608 CA VAL A 97 3.974 -4.200 5.983 1.00 1.40 C ATOM 1609 C VAL A 97 3.502 -5.543 6.602 1.00 64.42 C ATOM 1610 O VAL A 97 3.338 -5.652 7.818 1.00 64.40 O ATOM 1611 CB VAL A 97 2.774 -3.521 5.209 1.00 13.31 C ATOM 1612 CG1 VAL A 97 1.556 -3.266 6.140 1.00 52.12 C ATOM 1613 CG2 VAL A 97 3.224 -2.209 4.516 1.00 30.44 C ATOM 0 H VAL A 97 4.981 -4.179 4.120 1.00 12.24 H new ATOM 0 HA VAL A 97 4.290 -3.524 6.778 1.00 1.40 H new ATOM 0 HB VAL A 97 2.454 -4.220 4.436 1.00 13.31 H new ATOM 0 HG11 VAL A 97 0.754 -2.798 5.569 1.00 52.12 H new ATOM 0 HG12 VAL A 97 1.206 -4.214 6.549 1.00 52.12 H new ATOM 0 HG13 VAL A 97 1.853 -2.607 6.955 1.00 52.12 H new ATOM 0 HG21 VAL A 97 2.377 -1.765 3.992 1.00 30.44 H new ATOM 0 HG22 VAL A 97 3.594 -1.510 5.266 1.00 30.44 H new ATOM 0 HG23 VAL A 97 4.018 -2.428 3.802 1.00 30.44 H new ATOM 1623 N THR A 98 3.331 -6.559 5.738 1.00 43.10 N ATOM 1624 CA THR A 98 2.881 -7.915 6.140 1.00 63.11 C ATOM 1625 C THR A 98 3.911 -8.616 7.072 1.00 44.21 C ATOM 1626 O THR A 98 3.541 -9.239 8.071 1.00 71.21 O ATOM 1627 CB THR A 98 2.616 -8.804 4.875 1.00 34.03 C ATOM 1628 OG1 THR A 98 1.740 -8.106 3.976 1.00 72.25 O ATOM 1629 CG2 THR A 98 1.989 -10.169 5.230 1.00 61.25 C ATOM 0 H THR A 98 3.500 -6.468 4.736 1.00 43.10 H new ATOM 0 HA THR A 98 1.952 -7.794 6.698 1.00 63.11 H new ATOM 0 HB THR A 98 3.582 -8.996 4.407 1.00 34.03 H new ATOM 0 HG1 THR A 98 2.239 -7.399 3.516 1.00 72.25 H new ATOM 0 HG21 THR A 98 1.827 -10.743 4.318 1.00 61.25 H new ATOM 0 HG22 THR A 98 2.661 -10.718 5.890 1.00 61.25 H new ATOM 0 HG23 THR A 98 1.035 -10.011 5.734 1.00 61.25 H new ATOM 1637 N ARG A 99 5.211 -8.492 6.731 1.00 74.42 N ATOM 1638 CA ARG A 99 6.325 -9.046 7.547 1.00 33.02 C ATOM 1639 C ARG A 99 6.523 -8.260 8.866 1.00 40.33 C ATOM 1640 O ARG A 99 7.007 -8.821 9.847 1.00 42.12 O ATOM 1641 CB ARG A 99 7.644 -9.128 6.725 1.00 3.12 C ATOM 1642 CG ARG A 99 7.641 -10.243 5.642 1.00 55.10 C ATOM 1643 CD ARG A 99 8.947 -10.300 4.820 1.00 74.42 C ATOM 1644 NE ARG A 99 9.174 -9.077 4.015 1.00 34.14 N ATOM 1645 CZ ARG A 99 9.748 -9.045 2.826 1.00 2.33 C ATOM 1646 NH1 ARG A 99 10.121 -10.138 2.232 1.00 13.12 N ATOM 1647 NH2 ARG A 99 9.921 -7.917 2.221 1.00 53.42 N ATOM 0 H ARG A 99 5.522 -8.009 5.888 1.00 74.42 H new ATOM 0 HA ARG A 99 6.046 -10.063 7.823 1.00 33.02 H new ATOM 0 HB2 ARG A 99 7.821 -8.167 6.243 1.00 3.12 H new ATOM 0 HB3 ARG A 99 8.476 -9.300 7.408 1.00 3.12 H new ATOM 0 HG2 ARG A 99 7.481 -11.207 6.124 1.00 55.10 H new ATOM 0 HG3 ARG A 99 6.801 -10.081 4.966 1.00 55.10 H new ATOM 0 HD2 ARG A 99 9.790 -10.446 5.496 1.00 74.42 H new ATOM 0 HD3 ARG A 99 8.916 -11.165 4.157 1.00 74.42 H new ATOM 0 HE ARG A 99 8.862 -8.190 4.410 1.00 34.14 H new ATOM 0 HH11 ARG A 99 9.972 -11.040 2.684 1.00 13.12 H new ATOM 0 HH12 ARG A 99 10.563 -10.094 1.314 1.00 13.12 H new ATOM 0 HH21 ARG A 99 9.614 -7.050 2.662 1.00 53.42 H new ATOM 0 HH22 ARG A 99 10.364 -7.894 1.303 1.00 53.42 H new ATOM 1661 N GLU A 100 6.153 -6.963 8.881 1.00 60.04 N ATOM 1662 CA GLU A 100 6.127 -6.161 10.130 1.00 0.53 C ATOM 1663 C GLU A 100 5.044 -6.714 11.085 1.00 72.21 C ATOM 1664 O GLU A 100 5.294 -6.909 12.277 1.00 44.41 O ATOM 1665 CB GLU A 100 5.842 -4.663 9.827 1.00 32.40 C ATOM 1666 CG GLU A 100 5.899 -3.745 11.067 1.00 35.32 C ATOM 1667 CD GLU A 100 5.429 -2.303 10.797 1.00 51.40 C ATOM 1668 OE1 GLU A 100 6.255 -1.460 10.376 1.00 14.04 O ATOM 1669 OE2 GLU A 100 4.235 -2.004 11.036 1.00 75.03 O ATOM 0 H GLU A 100 5.869 -6.447 8.048 1.00 60.04 H new ATOM 0 HA GLU A 100 7.106 -6.235 10.603 1.00 0.53 H new ATOM 0 HB2 GLU A 100 6.565 -4.308 9.093 1.00 32.40 H new ATOM 0 HB3 GLU A 100 4.856 -4.577 9.370 1.00 32.40 H new ATOM 0 HG2 GLU A 100 5.282 -4.176 11.855 1.00 35.32 H new ATOM 0 HG3 GLU A 100 6.922 -3.719 11.441 1.00 35.32 H new