USER MOD reduce.3.24.130724 H: found=0, std=0, add=852, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 850 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 29 TYR OH : rot 147:sc= -0.124 USER MOD Set 1.2: A 97 THR OG1 : rot 64:sc= 1.13 USER MOD Set 2.1: A 80 ASN : amide:sc= 0.521 K(o=1.1,f=-3) USER MOD Set 2.2: A 101 LYS NZ :NH3+ -107:sc= 0.62 (180deg=0) USER MOD Set 3.1: A 57 CYS SG : rot 36:sc= 0.526 USER MOD Set 3.2: A 89 HIS : no HE2:sc= -2.38 X(o=-1.9,f=-1.8) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -153:sc= -0.0152 (180deg=-0.45) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.359 K(o=-0.36,f=-6.9!) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0.22) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -154:sc= 0.619 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0.085) USER MOD Single : A 59 LYS NZ :NH3+ -157:sc= -0.0398 (180deg=-0.283) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot -82:sc= 0.833 USER MOD Single : A 72 SER OG : rot 180:sc= -0.0103 USER MOD Single : A 74 ASN : amide:sc= -0.0456 X(o=-0.046,f=-0.4) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 69:sc= 0.301 USER MOD Single : A 83 CYS SG : rot -140:sc= -1.57 USER MOD Single : A 87 CYS SG : rot 180:sc= -0.365 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 107 HIS : no HD1:sc= 0.0234 K(o=0.023,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 102 N ARG A 9 4.181 8.210 -3.040 1.00 5.14 N ATOM 103 CA ARG A 9 5.205 8.896 -3.819 1.00 21.03 C ATOM 104 C ARG A 9 5.935 7.919 -4.735 1.00 1.34 C ATOM 105 O ARG A 9 5.671 6.718 -4.716 1.00 22.11 O ATOM 106 CB ARG A 9 6.205 9.587 -2.889 1.00 62.33 C ATOM 107 CG ARG A 9 5.873 11.043 -2.611 1.00 32.14 C ATOM 108 CD ARG A 9 5.863 11.337 -1.118 1.00 64.15 C ATOM 109 NE ARG A 9 7.158 11.821 -0.649 1.00 22.44 N ATOM 110 CZ ARG A 9 7.476 11.940 0.635 1.00 12.15 C ATOM 111 NH1 ARG A 9 6.598 11.611 1.573 1.00 74.23 N ATOM 112 NH2 ARG A 9 8.675 12.388 0.985 1.00 4.42 N ATOM 0 HA ARG A 9 4.715 9.648 -4.437 1.00 21.03 H new ATOM 0 HB2 ARG A 9 6.243 9.045 -1.944 1.00 62.33 H new ATOM 0 HB3 ARG A 9 7.200 9.528 -3.331 1.00 62.33 H new ATOM 0 HG2 ARG A 9 6.603 11.684 -3.104 1.00 32.14 H new ATOM 0 HG3 ARG A 9 4.899 11.283 -3.037 1.00 32.14 H new ATOM 0 HD2 ARG A 9 5.097 12.081 -0.900 1.00 64.15 H new ATOM 0 HD3 ARG A 9 5.594 10.433 -0.572 1.00 64.15 H new ATOM 0 HE ARG A 9 7.856 12.082 -1.345 1.00 22.44 H new ATOM 0 HH11 ARG A 9 5.675 11.265 1.309 1.00 74.23 H new ATOM 0 HH12 ARG A 9 6.845 11.704 2.558 1.00 74.23 H new ATOM 0 HH21 ARG A 9 9.354 12.642 0.267 1.00 4.42 H new ATOM 0 HH22 ARG A 9 8.918 12.479 1.972 1.00 4.42 H new ATOM 126 N GLY A 10 6.856 8.445 -5.539 1.00 1.23 N ATOM 127 CA GLY A 10 7.610 7.606 -6.452 1.00 13.22 C ATOM 128 C GLY A 10 8.516 6.630 -5.728 1.00 4.00 C ATOM 129 O GLY A 10 8.470 5.426 -5.978 1.00 73.13 O ATOM 0 H GLY A 10 7.093 9.437 -5.574 1.00 1.23 H new ATOM 0 HA2 GLY A 10 6.918 7.052 -7.087 1.00 13.22 H new ATOM 0 HA3 GLY A 10 8.210 8.236 -7.108 1.00 13.22 H new ATOM 133 N LYS A 11 9.345 7.150 -4.829 1.00 10.34 N ATOM 134 CA LYS A 11 10.267 6.318 -4.066 1.00 22.54 C ATOM 135 C LYS A 11 9.517 5.220 -3.317 1.00 2.42 C ATOM 136 O LYS A 11 9.877 4.045 -3.391 1.00 4.30 O ATOM 137 CB LYS A 11 11.062 7.174 -3.077 1.00 33.31 C ATOM 138 CG LYS A 11 12.527 6.789 -2.979 1.00 62.53 C ATOM 139 CD LYS A 11 13.435 7.983 -3.222 1.00 10.12 C ATOM 140 CE LYS A 11 14.894 7.634 -2.973 1.00 21.40 C ATOM 141 NZ LYS A 11 15.702 7.703 -4.222 1.00 23.30 N ATOM 0 H LYS A 11 9.397 8.145 -4.611 1.00 10.34 H new ATOM 0 HA LYS A 11 10.958 5.849 -4.767 1.00 22.54 H new ATOM 0 HB2 LYS A 11 10.989 8.220 -3.375 1.00 33.31 H new ATOM 0 HB3 LYS A 11 10.607 7.091 -2.090 1.00 33.31 H new ATOM 0 HG2 LYS A 11 12.729 6.372 -1.993 1.00 62.53 H new ATOM 0 HG3 LYS A 11 12.748 6.008 -3.707 1.00 62.53 H new ATOM 0 HD2 LYS A 11 13.313 8.331 -4.248 1.00 10.12 H new ATOM 0 HD3 LYS A 11 13.140 8.805 -2.569 1.00 10.12 H new ATOM 0 HE2 LYS A 11 15.310 8.318 -2.233 1.00 21.40 H new ATOM 0 HE3 LYS A 11 14.961 6.631 -2.552 1.00 21.40 H new ATOM 0 HZ1 LYS A 11 16.690 7.458 -4.010 1.00 23.30 H new ATOM 0 HZ2 LYS A 11 15.321 7.032 -4.919 1.00 23.30 H new ATOM 0 HZ3 LYS A 11 15.660 8.667 -4.610 1.00 23.30 H new ATOM 155 N LYS A 12 8.472 5.611 -2.595 1.00 13.40 N ATOM 156 CA LYS A 12 7.669 4.662 -1.834 1.00 42.22 C ATOM 157 C LYS A 12 6.973 3.672 -2.762 1.00 34.20 C ATOM 158 O LYS A 12 6.938 2.471 -2.492 1.00 3.24 O ATOM 159 CB LYS A 12 6.630 5.404 -0.990 1.00 31.44 C ATOM 160 CG LYS A 12 7.213 6.536 -0.163 1.00 71.21 C ATOM 161 CD LYS A 12 6.936 6.345 1.319 1.00 61.04 C ATOM 162 CE LYS A 12 7.480 7.502 2.141 1.00 42.54 C ATOM 163 NZ LYS A 12 6.456 8.563 2.351 1.00 15.14 N ATOM 0 H LYS A 12 8.162 6.580 -2.521 1.00 13.40 H new ATOM 0 HA LYS A 12 8.335 4.107 -1.174 1.00 42.22 H new ATOM 0 HB2 LYS A 12 5.860 5.806 -1.648 1.00 31.44 H new ATOM 0 HB3 LYS A 12 6.141 4.693 -0.324 1.00 31.44 H new ATOM 0 HG2 LYS A 12 8.289 6.592 -0.329 1.00 71.21 H new ATOM 0 HG3 LYS A 12 6.790 7.485 -0.494 1.00 71.21 H new ATOM 0 HD2 LYS A 12 5.862 6.256 1.481 1.00 61.04 H new ATOM 0 HD3 LYS A 12 7.388 5.413 1.657 1.00 61.04 H new ATOM 0 HE2 LYS A 12 7.823 7.132 3.107 1.00 42.54 H new ATOM 0 HE3 LYS A 12 8.347 7.929 1.638 1.00 42.54 H new ATOM 0 HZ1 LYS A 12 6.866 9.334 2.916 1.00 15.14 H new ATOM 0 HZ2 LYS A 12 6.147 8.935 1.430 1.00 15.14 H new ATOM 0 HZ3 LYS A 12 5.639 8.162 2.854 1.00 15.14 H new ATOM 177 N ALA A 13 6.419 4.182 -3.858 1.00 22.45 N ATOM 178 CA ALA A 13 5.728 3.341 -4.826 1.00 52.24 C ATOM 179 C ALA A 13 6.599 2.166 -5.255 1.00 60.00 C ATOM 180 O ALA A 13 6.139 1.024 -5.301 1.00 42.43 O ATOM 181 CB ALA A 13 5.315 4.164 -6.038 1.00 71.22 C ATOM 0 H ALA A 13 6.436 5.174 -4.097 1.00 22.45 H new ATOM 0 HA ALA A 13 4.834 2.940 -4.349 1.00 52.24 H new ATOM 0 HB1 ALA A 13 4.800 3.524 -6.754 1.00 71.22 H new ATOM 0 HB2 ALA A 13 4.648 4.966 -5.723 1.00 71.22 H new ATOM 0 HB3 ALA A 13 6.201 4.592 -6.506 1.00 71.22 H new ATOM 187 N ASP A 14 7.858 2.452 -5.568 1.00 2.13 N ATOM 188 CA ASP A 14 8.795 1.418 -5.992 1.00 34.11 C ATOM 189 C ASP A 14 8.901 0.316 -4.941 1.00 53.11 C ATOM 190 O ASP A 14 8.660 -0.855 -5.230 1.00 1.43 O ATOM 191 CB ASP A 14 10.173 2.024 -6.253 1.00 44.04 C ATOM 192 CG ASP A 14 10.539 2.019 -7.725 1.00 51.21 C ATOM 193 OD1 ASP A 14 10.241 1.016 -8.406 1.00 51.14 O ATOM 194 OD2 ASP A 14 11.121 3.018 -8.195 1.00 63.01 O ATOM 0 H ASP A 14 8.253 3.392 -5.536 1.00 2.13 H new ATOM 0 HA ASP A 14 8.419 0.979 -6.916 1.00 34.11 H new ATOM 0 HB2 ASP A 14 10.193 3.048 -5.880 1.00 44.04 H new ATOM 0 HB3 ASP A 14 10.924 1.466 -5.693 1.00 44.04 H new ATOM 199 N GLU A 15 9.264 0.702 -3.722 1.00 1.43 N ATOM 200 CA GLU A 15 9.405 -0.254 -2.629 1.00 14.32 C ATOM 201 C GLU A 15 8.150 -1.113 -2.494 1.00 4.21 C ATOM 202 O GLU A 15 8.224 -2.285 -2.122 1.00 64.40 O ATOM 203 CB GLU A 15 9.678 0.479 -1.314 1.00 53.01 C ATOM 204 CG GLU A 15 11.157 0.637 -1.001 1.00 13.11 C ATOM 205 CD GLU A 15 11.945 1.190 -2.173 1.00 14.34 C ATOM 206 OE1 GLU A 15 12.280 0.406 -3.085 1.00 34.41 O ATOM 207 OE2 GLU A 15 12.226 2.406 -2.177 1.00 42.52 O ATOM 0 H GLU A 15 9.466 1.669 -3.466 1.00 1.43 H new ATOM 0 HA GLU A 15 10.249 -0.906 -2.856 1.00 14.32 H new ATOM 0 HB2 GLU A 15 9.216 1.466 -1.355 1.00 53.01 H new ATOM 0 HB3 GLU A 15 9.199 -0.063 -0.499 1.00 53.01 H new ATOM 0 HG2 GLU A 15 11.274 1.300 -0.144 1.00 13.11 H new ATOM 0 HG3 GLU A 15 11.569 -0.330 -0.715 1.00 13.11 H new ATOM 214 N LEU A 16 7.001 -0.523 -2.798 1.00 55.00 N ATOM 215 CA LEU A 16 5.729 -1.233 -2.711 1.00 24.23 C ATOM 216 C LEU A 16 5.607 -2.268 -3.824 1.00 73.50 C ATOM 217 O LEU A 16 5.240 -3.418 -3.578 1.00 5.10 O ATOM 218 CB LEU A 16 4.564 -0.245 -2.788 1.00 53.33 C ATOM 219 CG LEU A 16 3.181 -0.811 -2.463 1.00 33.21 C ATOM 220 CD1 LEU A 16 2.648 -1.621 -3.635 1.00 32.21 C ATOM 221 CD2 LEU A 16 3.236 -1.664 -1.204 1.00 64.34 C ATOM 0 H LEU A 16 6.923 0.446 -3.107 1.00 55.00 H new ATOM 0 HA LEU A 16 5.695 -1.751 -1.752 1.00 24.23 H new ATOM 0 HB2 LEU A 16 4.767 0.579 -2.104 1.00 53.33 H new ATOM 0 HB3 LEU A 16 4.536 0.175 -3.794 1.00 53.33 H new ATOM 0 HG LEU A 16 2.501 0.022 -2.284 1.00 33.21 H new ATOM 0 HD11 LEU A 16 1.663 -2.016 -3.386 1.00 32.21 H new ATOM 0 HD12 LEU A 16 2.571 -0.981 -4.514 1.00 32.21 H new ATOM 0 HD13 LEU A 16 3.328 -2.447 -3.846 1.00 32.21 H new ATOM 0 HD21 LEU A 16 2.243 -2.058 -0.988 1.00 64.34 H new ATOM 0 HD22 LEU A 16 3.930 -2.491 -1.355 1.00 64.34 H new ATOM 0 HD23 LEU A 16 3.574 -1.055 -0.366 1.00 64.34 H new ATOM 233 N GLU A 17 5.918 -1.854 -5.049 1.00 12.33 N ATOM 234 CA GLU A 17 5.843 -2.747 -6.199 1.00 23.50 C ATOM 235 C GLU A 17 7.032 -3.704 -6.223 1.00 21.15 C ATOM 236 O GLU A 17 7.103 -4.602 -7.061 1.00 53.05 O ATOM 237 CB GLU A 17 5.798 -1.940 -7.497 1.00 43.24 C ATOM 238 CG GLU A 17 4.519 -1.138 -7.672 1.00 43.31 C ATOM 239 CD GLU A 17 4.042 -1.107 -9.111 1.00 1.54 C ATOM 240 OE1 GLU A 17 4.761 -0.545 -9.963 1.00 5.31 O ATOM 241 OE2 GLU A 17 2.948 -1.644 -9.384 1.00 44.14 O ATOM 0 H GLU A 17 6.224 -0.906 -5.270 1.00 12.33 H new ATOM 0 HA GLU A 17 4.928 -3.333 -6.112 1.00 23.50 H new ATOM 0 HB2 GLU A 17 6.649 -1.260 -7.522 1.00 43.24 H new ATOM 0 HB3 GLU A 17 5.909 -2.620 -8.342 1.00 43.24 H new ATOM 0 HG2 GLU A 17 3.738 -1.565 -7.043 1.00 43.31 H new ATOM 0 HG3 GLU A 17 4.684 -0.118 -7.326 1.00 43.31 H new ATOM 248 N ARG A 18 7.964 -3.504 -5.296 1.00 12.34 N ATOM 249 CA ARG A 18 9.151 -4.347 -5.211 1.00 54.22 C ATOM 250 C ARG A 18 8.878 -5.586 -4.363 1.00 53.52 C ATOM 251 O ARG A 18 9.142 -6.710 -4.788 1.00 33.34 O ATOM 252 CB ARG A 18 10.321 -3.558 -4.620 1.00 33.22 C ATOM 253 CG ARG A 18 11.626 -4.335 -4.593 1.00 71.13 C ATOM 254 CD ARG A 18 12.494 -4.008 -5.798 1.00 43.02 C ATOM 255 NE ARG A 18 12.761 -5.187 -6.618 1.00 22.35 N ATOM 256 CZ ARG A 18 13.160 -5.128 -7.883 1.00 34.45 C ATOM 257 NH1 ARG A 18 13.338 -3.953 -8.471 1.00 34.22 N ATOM 258 NH2 ARG A 18 13.382 -6.246 -8.562 1.00 41.04 N ATOM 0 H ARG A 18 7.920 -2.766 -4.594 1.00 12.34 H new ATOM 0 HA ARG A 18 9.411 -4.669 -6.219 1.00 54.22 H new ATOM 0 HB2 ARG A 18 10.463 -2.646 -5.199 1.00 33.22 H new ATOM 0 HB3 ARG A 18 10.067 -3.254 -3.604 1.00 33.22 H new ATOM 0 HG2 ARG A 18 12.170 -4.103 -3.678 1.00 71.13 H new ATOM 0 HG3 ARG A 18 11.414 -5.404 -4.575 1.00 71.13 H new ATOM 0 HD2 ARG A 18 12.000 -3.249 -6.405 1.00 43.02 H new ATOM 0 HD3 ARG A 18 13.438 -3.581 -5.459 1.00 43.02 H new ATOM 0 HE ARG A 18 12.634 -6.107 -6.195 1.00 22.35 H new ATOM 0 HH11 ARG A 18 13.168 -3.092 -7.951 1.00 34.22 H new ATOM 0 HH12 ARG A 18 13.645 -3.910 -9.443 1.00 34.22 H new ATOM 0 HH21 ARG A 18 13.246 -7.151 -8.112 1.00 41.04 H new ATOM 0 HH22 ARG A 18 13.688 -6.200 -9.534 1.00 41.04 H new ATOM 272 N ILE A 19 8.349 -5.370 -3.163 1.00 70.03 N ATOM 273 CA ILE A 19 8.041 -6.469 -2.256 1.00 13.03 C ATOM 274 C ILE A 19 7.175 -7.521 -2.941 1.00 52.14 C ATOM 275 O ILE A 19 6.226 -7.190 -3.652 1.00 31.21 O ATOM 276 CB ILE A 19 7.318 -5.969 -0.991 1.00 42.41 C ATOM 277 CG1 ILE A 19 8.193 -4.964 -0.240 1.00 62.35 C ATOM 278 CG2 ILE A 19 6.955 -7.140 -0.091 1.00 75.24 C ATOM 279 CD1 ILE A 19 7.404 -3.891 0.477 1.00 75.54 C ATOM 0 H ILE A 19 8.125 -4.445 -2.797 1.00 70.03 H new ATOM 0 HA ILE A 19 8.992 -6.917 -1.968 1.00 13.03 H new ATOM 0 HB ILE A 19 6.398 -5.467 -1.291 1.00 42.41 H new ATOM 0 HG12 ILE A 19 8.805 -5.499 0.486 1.00 62.35 H new ATOM 0 HG13 ILE A 19 8.876 -4.491 -0.946 1.00 62.35 H new ATOM 0 HG21 ILE A 19 6.445 -6.771 0.799 1.00 75.24 H new ATOM 0 HG22 ILE A 19 6.297 -7.822 -0.629 1.00 75.24 H new ATOM 0 HG23 ILE A 19 7.862 -7.667 0.204 1.00 75.24 H new ATOM 0 HD11 ILE A 19 8.090 -3.215 0.987 1.00 75.54 H new ATOM 0 HD12 ILE A 19 6.812 -3.330 -0.246 1.00 75.54 H new ATOM 0 HD13 ILE A 19 6.741 -4.354 1.207 1.00 75.54 H new ATOM 291 N ARG A 20 7.508 -8.788 -2.721 1.00 21.12 N ATOM 292 CA ARG A 20 6.760 -9.889 -3.317 1.00 45.33 C ATOM 293 C ARG A 20 5.643 -10.354 -2.387 1.00 4.41 C ATOM 294 O ARG A 20 5.827 -10.437 -1.172 1.00 61.10 O ATOM 295 CB ARG A 20 7.696 -11.058 -3.631 1.00 54.10 C ATOM 296 CG ARG A 20 8.641 -10.786 -4.791 1.00 20.53 C ATOM 297 CD ARG A 20 9.833 -11.730 -4.770 1.00 21.23 C ATOM 298 NE ARG A 20 10.049 -12.369 -6.066 1.00 12.53 N ATOM 299 CZ ARG A 20 11.119 -13.099 -6.356 1.00 22.12 C ATOM 300 NH1 ARG A 20 12.067 -13.283 -5.447 1.00 45.32 N ATOM 301 NH2 ARG A 20 11.244 -13.647 -7.558 1.00 23.52 N ATOM 0 H ARG A 20 8.291 -9.078 -2.135 1.00 21.12 H new ATOM 0 HA ARG A 20 6.312 -9.531 -4.244 1.00 45.33 H new ATOM 0 HB2 ARG A 20 8.283 -11.292 -2.743 1.00 54.10 H new ATOM 0 HB3 ARG A 20 7.098 -11.940 -3.859 1.00 54.10 H new ATOM 0 HG2 ARG A 20 8.104 -10.897 -5.733 1.00 20.53 H new ATOM 0 HG3 ARG A 20 8.991 -9.755 -4.743 1.00 20.53 H new ATOM 0 HD2 ARG A 20 10.728 -11.177 -4.485 1.00 21.23 H new ATOM 0 HD3 ARG A 20 9.676 -12.496 -4.010 1.00 21.23 H new ATOM 0 HE ARG A 20 9.338 -12.247 -6.788 1.00 12.53 H new ATOM 0 HH11 ARG A 20 11.975 -12.863 -4.522 1.00 45.32 H new ATOM 0 HH12 ARG A 20 12.888 -13.844 -5.673 1.00 45.32 H new ATOM 0 HH21 ARG A 20 10.517 -13.507 -8.260 1.00 23.52 H new ATOM 0 HH22 ARG A 20 12.067 -14.208 -7.780 1.00 23.52 H new ATOM 315 N LEU A 21 4.486 -10.653 -2.965 1.00 74.31 N ATOM 316 CA LEU A 21 3.338 -11.109 -2.188 1.00 65.23 C ATOM 317 C LEU A 21 3.691 -12.349 -1.373 1.00 11.21 C ATOM 318 O LEU A 21 3.087 -12.612 -0.333 1.00 14.22 O ATOM 319 CB LEU A 21 2.159 -11.412 -3.114 1.00 70.53 C ATOM 320 CG LEU A 21 1.314 -10.212 -3.540 1.00 54.31 C ATOM 321 CD1 LEU A 21 0.368 -10.597 -4.667 1.00 64.12 C ATOM 322 CD2 LEU A 21 0.536 -9.660 -2.355 1.00 1.42 C ATOM 0 H LEU A 21 4.317 -10.588 -3.969 1.00 74.31 H new ATOM 0 HA LEU A 21 3.056 -10.312 -1.500 1.00 65.23 H new ATOM 0 HB2 LEU A 21 2.543 -11.897 -4.011 1.00 70.53 H new ATOM 0 HB3 LEU A 21 1.508 -12.131 -2.617 1.00 70.53 H new ATOM 0 HG LEU A 21 1.983 -9.433 -3.905 1.00 54.31 H new ATOM 0 HD11 LEU A 21 -0.225 -9.730 -4.957 1.00 64.12 H new ATOM 0 HD12 LEU A 21 0.945 -10.944 -5.524 1.00 64.12 H new ATOM 0 HD13 LEU A 21 -0.295 -11.394 -4.329 1.00 64.12 H new ATOM 0 HD21 LEU A 21 -0.060 -8.806 -2.677 1.00 1.42 H new ATOM 0 HD22 LEU A 21 -0.122 -10.434 -1.960 1.00 1.42 H new ATOM 0 HD23 LEU A 21 1.232 -9.344 -1.578 1.00 1.42 H new ATOM 334 N ARG A 22 4.673 -13.106 -1.850 1.00 5.33 N ATOM 335 CA ARG A 22 5.107 -14.317 -1.164 1.00 13.22 C ATOM 336 C ARG A 22 6.598 -14.559 -1.378 1.00 41.11 C ATOM 337 O ARG A 22 7.210 -14.031 -2.307 1.00 70.31 O ATOM 338 CB ARG A 22 4.308 -15.524 -1.660 1.00 74.12 C ATOM 339 CG ARG A 22 3.146 -15.898 -0.755 1.00 75.21 C ATOM 340 CD ARG A 22 1.977 -16.458 -1.551 1.00 53.45 C ATOM 341 NE ARG A 22 1.113 -15.401 -2.072 1.00 41.03 N ATOM 342 CZ ARG A 22 -0.048 -15.630 -2.675 1.00 23.25 C ATOM 343 NH1 ARG A 22 -0.482 -16.874 -2.833 1.00 12.44 N ATOM 344 NH2 ARG A 22 -0.778 -14.617 -3.122 1.00 1.53 N ATOM 0 H ARG A 22 5.183 -12.902 -2.709 1.00 5.33 H new ATOM 0 HA ARG A 22 4.927 -14.184 -0.097 1.00 13.22 H new ATOM 0 HB2 ARG A 22 3.926 -15.311 -2.658 1.00 74.12 H new ATOM 0 HB3 ARG A 22 4.977 -16.380 -1.751 1.00 74.12 H new ATOM 0 HG2 ARG A 22 3.476 -16.636 -0.024 1.00 75.21 H new ATOM 0 HG3 ARG A 22 2.820 -15.020 -0.197 1.00 75.21 H new ATOM 0 HD2 ARG A 22 2.356 -17.057 -2.379 1.00 53.45 H new ATOM 0 HD3 ARG A 22 1.392 -17.124 -0.917 1.00 53.45 H new ATOM 0 HE ARG A 22 1.419 -14.434 -1.967 1.00 41.03 H new ATOM 0 HH11 ARG A 22 0.076 -17.656 -2.491 1.00 12.44 H new ATOM 0 HH12 ARG A 22 -1.374 -17.048 -3.296 1.00 12.44 H new ATOM 0 HH21 ARG A 22 -0.448 -13.659 -3.003 1.00 1.53 H new ATOM 0 HH22 ARG A 22 -1.669 -14.796 -3.585 1.00 1.53 H new ATOM 358 N PRO A 23 7.198 -15.374 -0.498 1.00 62.42 N ATOM 359 CA PRO A 23 8.624 -15.704 -0.570 1.00 64.25 C ATOM 360 C PRO A 23 8.955 -16.591 -1.766 1.00 30.12 C ATOM 361 O PRO A 23 10.037 -16.492 -2.344 1.00 71.40 O ATOM 362 CB PRO A 23 8.881 -16.455 0.739 1.00 34.21 C ATOM 363 CG PRO A 23 7.557 -17.025 1.115 1.00 71.12 C ATOM 364 CD PRO A 23 6.530 -16.037 0.634 1.00 20.42 C ATOM 0 HA PRO A 23 9.242 -14.815 -0.696 1.00 64.25 H new ATOM 0 HB2 PRO A 23 9.626 -17.239 0.606 1.00 34.21 H new ATOM 0 HB3 PRO A 23 9.258 -15.785 1.512 1.00 34.21 H new ATOM 0 HG2 PRO A 23 7.407 -18.001 0.653 1.00 71.12 H new ATOM 0 HG3 PRO A 23 7.486 -17.169 2.193 1.00 71.12 H new ATOM 0 HD2 PRO A 23 5.610 -16.533 0.323 1.00 20.42 H new ATOM 0 HD3 PRO A 23 6.261 -15.325 1.414 1.00 20.42 H new ATOM 372 N GLY A 24 8.015 -17.457 -2.132 1.00 71.04 N ATOM 373 CA GLY A 24 8.226 -18.348 -3.258 1.00 65.53 C ATOM 374 C GLY A 24 7.446 -17.925 -4.488 1.00 5.05 C ATOM 375 O GLY A 24 7.354 -18.672 -5.460 1.00 31.41 O ATOM 0 H GLY A 24 7.112 -17.557 -1.669 1.00 71.04 H new ATOM 0 HA2 GLY A 24 9.289 -18.379 -3.499 1.00 65.53 H new ATOM 0 HA3 GLY A 24 7.933 -19.360 -2.976 1.00 65.53 H new ATOM 379 N GLY A 25 6.882 -16.722 -4.443 1.00 42.32 N ATOM 380 CA GLY A 25 6.113 -16.221 -5.567 1.00 33.12 C ATOM 381 C GLY A 25 6.870 -15.185 -6.373 1.00 12.45 C ATOM 382 O GLY A 25 8.021 -14.873 -6.071 1.00 4.40 O ATOM 0 H GLY A 25 6.944 -16.086 -3.648 1.00 42.32 H new ATOM 0 HA2 GLY A 25 5.840 -17.053 -6.216 1.00 33.12 H new ATOM 0 HA3 GLY A 25 5.184 -15.784 -5.201 1.00 33.12 H new ATOM 386 N LYS A 26 6.222 -14.650 -7.402 1.00 64.32 N ATOM 387 CA LYS A 26 6.840 -13.643 -8.256 1.00 63.44 C ATOM 388 C LYS A 26 5.919 -12.441 -8.434 1.00 42.42 C ATOM 389 O LYS A 26 6.228 -11.514 -9.184 1.00 31.30 O ATOM 390 CB LYS A 26 7.184 -14.242 -9.622 1.00 73.21 C ATOM 391 CG LYS A 26 8.226 -13.449 -10.390 1.00 73.23 C ATOM 392 CD LYS A 26 8.669 -14.179 -11.647 1.00 34.40 C ATOM 393 CE LYS A 26 9.100 -13.208 -12.735 1.00 23.33 C ATOM 394 NZ LYS A 26 8.817 -13.738 -14.097 1.00 33.00 N ATOM 0 H LYS A 26 5.268 -14.897 -7.665 1.00 64.32 H new ATOM 0 HA LYS A 26 7.757 -13.308 -7.772 1.00 63.44 H new ATOM 0 HB2 LYS A 26 7.546 -15.261 -9.482 1.00 73.21 H new ATOM 0 HB3 LYS A 26 6.275 -14.306 -10.220 1.00 73.21 H new ATOM 0 HG2 LYS A 26 7.817 -12.475 -10.659 1.00 73.23 H new ATOM 0 HG3 LYS A 26 9.090 -13.267 -9.751 1.00 73.23 H new ATOM 0 HD2 LYS A 26 9.495 -14.848 -11.408 1.00 34.40 H new ATOM 0 HD3 LYS A 26 7.852 -14.800 -12.015 1.00 34.40 H new ATOM 0 HE2 LYS A 26 8.582 -12.259 -12.600 1.00 23.33 H new ATOM 0 HE3 LYS A 26 10.167 -13.005 -12.639 1.00 23.33 H new ATOM 0 HZ1 LYS A 26 9.126 -13.046 -14.810 1.00 33.00 H new ATOM 0 HZ2 LYS A 26 9.331 -14.631 -14.236 1.00 33.00 H new ATOM 0 HZ3 LYS A 26 7.796 -13.907 -14.198 1.00 33.00 H new ATOM 408 N LYS A 27 4.787 -12.460 -7.738 1.00 71.15 N ATOM 409 CA LYS A 27 3.822 -11.371 -7.817 1.00 74.41 C ATOM 410 C LYS A 27 4.195 -10.243 -6.861 1.00 30.43 C ATOM 411 O LYS A 27 4.801 -10.476 -5.815 1.00 24.51 O ATOM 412 CB LYS A 27 2.416 -11.883 -7.494 1.00 21.31 C ATOM 413 CG LYS A 27 1.920 -12.947 -8.458 1.00 51.43 C ATOM 414 CD LYS A 27 0.477 -13.329 -8.173 1.00 20.41 C ATOM 415 CE LYS A 27 -0.112 -14.163 -9.301 1.00 12.24 C ATOM 416 NZ LYS A 27 -1.217 -15.039 -8.823 1.00 73.11 N ATOM 0 H LYS A 27 4.516 -13.219 -7.113 1.00 71.15 H new ATOM 0 HA LYS A 27 3.835 -10.981 -8.835 1.00 74.41 H new ATOM 0 HB2 LYS A 27 2.410 -12.290 -6.483 1.00 21.31 H new ATOM 0 HB3 LYS A 27 1.721 -11.043 -7.504 1.00 21.31 H new ATOM 0 HG2 LYS A 27 2.005 -12.580 -9.481 1.00 51.43 H new ATOM 0 HG3 LYS A 27 2.553 -13.831 -8.383 1.00 51.43 H new ATOM 0 HD2 LYS A 27 0.425 -13.889 -7.240 1.00 20.41 H new ATOM 0 HD3 LYS A 27 -0.119 -12.427 -8.037 1.00 20.41 H new ATOM 0 HE2 LYS A 27 -0.484 -13.503 -10.084 1.00 12.24 H new ATOM 0 HE3 LYS A 27 0.671 -14.776 -9.747 1.00 12.24 H new ATOM 0 HZ1 LYS A 27 -1.592 -15.591 -9.621 1.00 73.11 H new ATOM 0 HZ2 LYS A 27 -0.856 -15.686 -8.093 1.00 73.11 H new ATOM 0 HZ3 LYS A 27 -1.976 -14.452 -8.421 1.00 73.11 H new ATOM 430 N LYS A 28 3.827 -9.019 -7.224 1.00 51.03 N ATOM 431 CA LYS A 28 4.121 -7.854 -6.398 1.00 71.31 C ATOM 432 C LYS A 28 2.835 -7.155 -5.968 1.00 1.33 C ATOM 433 O LYS A 28 1.783 -7.337 -6.580 1.00 53.55 O ATOM 434 CB LYS A 28 5.016 -6.875 -7.160 1.00 24.22 C ATOM 435 CG LYS A 28 6.424 -7.394 -7.392 1.00 65.25 C ATOM 436 CD LYS A 28 6.951 -6.986 -8.758 1.00 43.21 C ATOM 437 CE LYS A 28 7.639 -8.147 -9.460 1.00 31.23 C ATOM 438 NZ LYS A 28 8.660 -8.795 -8.591 1.00 43.24 N ATOM 0 H LYS A 28 3.324 -8.808 -8.086 1.00 51.03 H new ATOM 0 HA LYS A 28 4.645 -8.195 -5.505 1.00 71.31 H new ATOM 0 HB2 LYS A 28 4.557 -6.650 -8.123 1.00 24.22 H new ATOM 0 HB3 LYS A 28 5.070 -5.938 -6.606 1.00 24.22 H new ATOM 0 HG2 LYS A 28 7.087 -7.010 -6.616 1.00 65.25 H new ATOM 0 HG3 LYS A 28 6.431 -8.481 -7.308 1.00 65.25 H new ATOM 0 HD2 LYS A 28 6.127 -6.624 -9.373 1.00 43.21 H new ATOM 0 HD3 LYS A 28 7.653 -6.160 -8.646 1.00 43.21 H new ATOM 0 HE2 LYS A 28 6.894 -8.885 -9.757 1.00 31.23 H new ATOM 0 HE3 LYS A 28 8.114 -7.789 -10.373 1.00 31.23 H new ATOM 0 HZ1 LYS A 28 9.393 -9.233 -9.184 1.00 43.24 H new ATOM 0 HZ2 LYS A 28 9.096 -8.080 -7.974 1.00 43.24 H new ATOM 0 HZ3 LYS A 28 8.205 -9.525 -8.006 1.00 43.24 H new ATOM 452 N TYR A 29 2.928 -6.353 -4.913 1.00 53.50 N ATOM 453 CA TYR A 29 1.772 -5.626 -4.401 1.00 2.31 C ATOM 454 C TYR A 29 1.296 -4.582 -5.406 1.00 3.51 C ATOM 455 O TYR A 29 2.097 -3.990 -6.129 1.00 44.35 O ATOM 456 CB TYR A 29 2.115 -4.952 -3.072 1.00 11.10 C ATOM 457 CG TYR A 29 1.949 -5.857 -1.872 1.00 65.13 C ATOM 458 CD1 TYR A 29 0.687 -6.168 -1.382 1.00 23.02 C ATOM 459 CD2 TYR A 29 3.054 -6.402 -1.230 1.00 53.03 C ATOM 460 CE1 TYR A 29 0.530 -6.995 -0.286 1.00 13.13 C ATOM 461 CE2 TYR A 29 2.907 -7.231 -0.135 1.00 14.02 C ATOM 462 CZ TYR A 29 1.643 -7.524 0.334 1.00 22.02 C ATOM 463 OH TYR A 29 1.492 -8.348 1.426 1.00 44.51 O ATOM 0 H TYR A 29 3.792 -6.190 -4.396 1.00 53.50 H new ATOM 0 HA TYR A 29 0.966 -6.342 -4.240 1.00 2.31 H new ATOM 0 HB2 TYR A 29 3.145 -4.598 -3.109 1.00 11.10 H new ATOM 0 HB3 TYR A 29 1.481 -4.075 -2.945 1.00 11.10 H new ATOM 0 HD1 TYR A 29 -0.186 -5.756 -1.866 1.00 23.02 H new ATOM 0 HD2 TYR A 29 4.045 -6.174 -1.593 1.00 53.03 H new ATOM 0 HE1 TYR A 29 -0.458 -7.226 0.083 1.00 13.13 H new ATOM 0 HE2 TYR A 29 3.777 -7.648 0.351 1.00 14.02 H new ATOM 0 HH TYR A 29 2.205 -9.021 1.429 1.00 44.51 H new ATOM 473 N ARG A 30 -0.014 -4.360 -5.444 1.00 64.23 N ATOM 474 CA ARG A 30 -0.598 -3.388 -6.361 1.00 0.10 C ATOM 475 C ARG A 30 -1.814 -2.713 -5.733 1.00 63.34 C ATOM 476 O ARG A 30 -2.375 -3.206 -4.755 1.00 34.52 O ATOM 477 CB ARG A 30 -0.998 -4.067 -7.671 1.00 53.03 C ATOM 478 CG ARG A 30 -0.365 -3.438 -8.902 1.00 1.40 C ATOM 479 CD ARG A 30 0.613 -4.389 -9.574 1.00 10.22 C ATOM 480 NE ARG A 30 -0.052 -5.578 -10.097 1.00 72.24 N ATOM 481 CZ ARG A 30 0.565 -6.509 -10.818 1.00 52.43 C ATOM 482 NH1 ARG A 30 1.854 -6.386 -11.099 1.00 65.23 N ATOM 483 NH2 ARG A 30 -0.109 -7.563 -11.259 1.00 53.50 N ATOM 0 H ARG A 30 -0.691 -4.840 -4.851 1.00 64.23 H new ATOM 0 HA ARG A 30 0.153 -2.626 -6.570 1.00 0.10 H new ATOM 0 HB2 ARG A 30 -0.717 -5.119 -7.626 1.00 53.03 H new ATOM 0 HB3 ARG A 30 -2.083 -4.031 -7.772 1.00 53.03 H new ATOM 0 HG2 ARG A 30 -1.145 -3.157 -9.610 1.00 1.40 H new ATOM 0 HG3 ARG A 30 0.153 -2.522 -8.618 1.00 1.40 H new ATOM 0 HD2 ARG A 30 1.122 -3.871 -10.387 1.00 10.22 H new ATOM 0 HD3 ARG A 30 1.379 -4.687 -8.858 1.00 10.22 H new ATOM 0 HE ARG A 30 -1.045 -5.702 -9.898 1.00 72.24 H new ATOM 0 HH11 ARG A 30 2.374 -5.576 -10.762 1.00 65.23 H new ATOM 0 HH12 ARG A 30 2.326 -7.101 -11.652 1.00 65.23 H new ATOM 0 HH21 ARG A 30 -1.102 -7.660 -11.045 1.00 53.50 H new ATOM 0 HH22 ARG A 30 0.365 -8.277 -11.812 1.00 53.50 H new ATOM 497 N LEU A 31 -2.214 -1.581 -6.303 1.00 33.41 N ATOM 498 CA LEU A 31 -3.364 -0.838 -5.800 1.00 5.51 C ATOM 499 C LEU A 31 -4.554 -1.763 -5.570 1.00 15.23 C ATOM 500 O LEU A 31 -5.349 -1.556 -4.652 1.00 45.44 O ATOM 501 CB LEU A 31 -3.747 0.272 -6.780 1.00 53.34 C ATOM 502 CG LEU A 31 -2.950 1.571 -6.670 1.00 44.53 C ATOM 503 CD1 LEU A 31 -2.786 2.215 -8.038 1.00 41.31 C ATOM 504 CD2 LEU A 31 -3.626 2.533 -5.704 1.00 33.51 C ATOM 0 H LEU A 31 -1.760 -1.158 -7.113 1.00 33.41 H new ATOM 0 HA LEU A 31 -3.087 -0.392 -4.845 1.00 5.51 H new ATOM 0 HB2 LEU A 31 -3.637 -0.113 -7.794 1.00 53.34 H new ATOM 0 HB3 LEU A 31 -4.803 0.504 -6.640 1.00 53.34 H new ATOM 0 HG LEU A 31 -1.960 1.334 -6.281 1.00 44.53 H new ATOM 0 HD11 LEU A 31 -2.216 3.139 -7.939 1.00 41.31 H new ATOM 0 HD12 LEU A 31 -2.256 1.531 -8.701 1.00 41.31 H new ATOM 0 HD13 LEU A 31 -3.768 2.438 -8.455 1.00 41.31 H new ATOM 0 HD21 LEU A 31 -3.044 3.452 -5.639 1.00 33.51 H new ATOM 0 HD22 LEU A 31 -4.629 2.763 -6.062 1.00 33.51 H new ATOM 0 HD23 LEU A 31 -3.690 2.073 -4.718 1.00 33.51 H new ATOM 516 N LYS A 32 -4.671 -2.786 -6.409 1.00 32.22 N ATOM 517 CA LYS A 32 -5.762 -3.748 -6.297 1.00 2.43 C ATOM 518 C LYS A 32 -5.852 -4.306 -4.880 1.00 51.13 C ATOM 519 O LYS A 32 -6.944 -4.478 -4.339 1.00 54.22 O ATOM 520 CB LYS A 32 -5.567 -4.890 -7.296 1.00 30.44 C ATOM 521 CG LYS A 32 -6.591 -4.900 -8.417 1.00 23.40 C ATOM 522 CD LYS A 32 -5.986 -5.396 -9.720 1.00 43.33 C ATOM 523 CE LYS A 32 -6.968 -5.266 -10.875 1.00 45.23 C ATOM 524 NZ LYS A 32 -6.810 -3.971 -11.594 1.00 72.41 N ATOM 0 H LYS A 32 -4.023 -2.971 -7.175 1.00 32.22 H new ATOM 0 HA LYS A 32 -6.694 -3.231 -6.524 1.00 2.43 H new ATOM 0 HB2 LYS A 32 -4.569 -4.817 -7.728 1.00 30.44 H new ATOM 0 HB3 LYS A 32 -5.615 -5.840 -6.763 1.00 30.44 H new ATOM 0 HG2 LYS A 32 -7.430 -5.537 -8.139 1.00 23.40 H new ATOM 0 HG3 LYS A 32 -6.987 -3.894 -8.558 1.00 23.40 H new ATOM 0 HD2 LYS A 32 -5.083 -4.828 -9.943 1.00 43.33 H new ATOM 0 HD3 LYS A 32 -5.687 -6.439 -9.610 1.00 43.33 H new ATOM 0 HE2 LYS A 32 -6.819 -6.090 -11.573 1.00 45.23 H new ATOM 0 HE3 LYS A 32 -7.987 -5.349 -10.497 1.00 45.23 H new ATOM 0 HZ1 LYS A 32 -7.497 -3.921 -12.374 1.00 72.41 H new ATOM 0 HZ2 LYS A 32 -6.977 -3.185 -10.934 1.00 72.41 H new ATOM 0 HZ3 LYS A 32 -5.846 -3.902 -11.977 1.00 72.41 H new ATOM 538 N HIS A 33 -4.698 -4.584 -4.285 1.00 3.03 N ATOM 539 CA HIS A 33 -4.645 -5.122 -2.928 1.00 53.34 C ATOM 540 C HIS A 33 -5.032 -4.054 -1.908 1.00 13.12 C ATOM 541 O HIS A 33 -5.576 -4.435 -0.871 1.00 4.31 O ATOM 542 CB HIS A 33 -3.246 -5.654 -2.621 1.00 41.11 C ATOM 543 CG HIS A 33 -2.780 -6.703 -3.582 1.00 74.20 C ATOM 544 ND1 HIS A 33 -1.760 -6.496 -4.486 1.00 62.34 N ATOM 545 CD2 HIS A 33 -3.201 -7.976 -3.777 1.00 42.31 C ATOM 546 CE1 HIS A 33 -1.574 -7.596 -5.196 1.00 44.40 C ATOM 547 NE2 HIS A 33 -2.436 -8.509 -4.785 1.00 43.54 N ATOM 0 H HIS A 33 -3.786 -4.446 -4.720 1.00 3.03 H new ATOM 0 HA HIS A 33 -5.359 -5.943 -2.860 1.00 53.34 H new ATOM 0 HB2 HIS A 33 -2.540 -4.824 -2.632 1.00 41.11 H new ATOM 0 HB3 HIS A 33 -3.237 -6.067 -1.612 1.00 41.11 H new ATOM 0 HD2 HIS A 33 -3.992 -8.478 -3.239 1.00 42.31 H new ATOM 0 HE1 HIS A 33 -0.842 -7.726 -5.979 1.00 44.40 H new ATOM 0 HE2 HIS A 33 -2.520 -9.455 -5.156 1.00 43.54 H new ATOM 555 N ILE A 34 -4.776 -2.776 -2.164 1.00 63.23 N ATOM 556 CA ILE A 34 -5.128 -1.723 -1.220 1.00 62.10 C ATOM 557 C ILE A 34 -6.635 -1.499 -1.182 1.00 60.52 C ATOM 558 O ILE A 34 -7.210 -1.246 -0.124 1.00 50.41 O ATOM 559 CB ILE A 34 -4.431 -0.395 -1.572 1.00 73.34 C ATOM 560 CG1 ILE A 34 -2.948 -0.632 -1.861 1.00 30.12 C ATOM 561 CG2 ILE A 34 -4.603 0.609 -0.442 1.00 42.11 C ATOM 562 CD1 ILE A 34 -2.195 0.627 -2.230 1.00 33.42 C ATOM 0 H ILE A 34 -4.326 -2.445 -3.017 1.00 63.23 H new ATOM 0 HA ILE A 34 -4.788 -2.053 -0.238 1.00 62.10 H new ATOM 0 HB ILE A 34 -4.895 0.015 -2.469 1.00 73.34 H new ATOM 0 HG12 ILE A 34 -2.482 -1.080 -0.983 1.00 30.12 H new ATOM 0 HG13 ILE A 34 -2.855 -1.352 -2.674 1.00 30.12 H new ATOM 0 HG21 ILE A 34 -4.105 1.542 -0.705 1.00 42.11 H new ATOM 0 HG22 ILE A 34 -5.664 0.797 -0.281 1.00 42.11 H new ATOM 0 HG23 ILE A 34 -4.163 0.208 0.471 1.00 42.11 H new ATOM 0 HD11 ILE A 34 -1.150 0.383 -2.421 1.00 33.42 H new ATOM 0 HD12 ILE A 34 -2.635 1.065 -3.126 1.00 33.42 H new ATOM 0 HD13 ILE A 34 -2.256 1.341 -1.409 1.00 33.42 H new ATOM 574 N VAL A 35 -7.272 -1.597 -2.346 1.00 4.43 N ATOM 575 CA VAL A 35 -8.714 -1.408 -2.446 1.00 70.24 C ATOM 576 C VAL A 35 -9.462 -2.405 -1.567 1.00 5.21 C ATOM 577 O VAL A 35 -10.297 -2.022 -0.750 1.00 12.13 O ATOM 578 CB VAL A 35 -9.199 -1.558 -3.900 1.00 33.21 C ATOM 579 CG1 VAL A 35 -10.709 -1.389 -3.979 1.00 12.13 C ATOM 580 CG2 VAL A 35 -8.494 -0.558 -4.803 1.00 13.42 C ATOM 0 H VAL A 35 -6.812 -1.806 -3.232 1.00 4.43 H new ATOM 0 HA VAL A 35 -8.925 -0.396 -2.102 1.00 70.24 H new ATOM 0 HB VAL A 35 -8.951 -2.562 -4.246 1.00 33.21 H new ATOM 0 HG11 VAL A 35 -11.034 -1.498 -5.014 1.00 12.13 H new ATOM 0 HG12 VAL A 35 -11.193 -2.149 -3.365 1.00 12.13 H new ATOM 0 HG13 VAL A 35 -10.984 -0.399 -3.615 1.00 12.13 H new ATOM 0 HG21 VAL A 35 -8.849 -0.679 -5.826 1.00 13.42 H new ATOM 0 HG22 VAL A 35 -8.708 0.455 -4.461 1.00 13.42 H new ATOM 0 HG23 VAL A 35 -7.419 -0.732 -4.769 1.00 13.42 H new ATOM 590 N TRP A 36 -9.153 -3.685 -1.740 1.00 41.10 N ATOM 591 CA TRP A 36 -9.795 -4.738 -0.962 1.00 15.23 C ATOM 592 C TRP A 36 -9.547 -4.541 0.530 1.00 23.21 C ATOM 593 O TRP A 36 -10.322 -5.009 1.365 1.00 45.43 O ATOM 594 CB TRP A 36 -9.282 -6.110 -1.400 1.00 22.30 C ATOM 595 CG TRP A 36 -9.840 -7.240 -0.588 1.00 24.25 C ATOM 596 CD1 TRP A 36 -10.876 -8.061 -0.930 1.00 3.44 C ATOM 597 CD2 TRP A 36 -9.391 -7.672 0.701 1.00 22.20 C ATOM 598 NE1 TRP A 36 -11.099 -8.977 0.071 1.00 73.53 N ATOM 599 CE2 TRP A 36 -10.201 -8.760 1.082 1.00 62.42 C ATOM 600 CE3 TRP A 36 -8.383 -7.247 1.571 1.00 73.13 C ATOM 601 CZ2 TRP A 36 -10.034 -9.425 2.293 1.00 64.13 C ATOM 602 CZ3 TRP A 36 -8.218 -7.907 2.773 1.00 31.30 C ATOM 603 CH2 TRP A 36 -9.039 -8.987 3.126 1.00 62.04 C ATOM 0 H TRP A 36 -8.462 -4.019 -2.412 1.00 41.10 H new ATOM 0 HA TRP A 36 -10.869 -4.685 -1.143 1.00 15.23 H new ATOM 0 HB2 TRP A 36 -9.534 -6.266 -2.449 1.00 22.30 H new ATOM 0 HB3 TRP A 36 -8.194 -6.123 -1.328 1.00 22.30 H new ATOM 0 HD1 TRP A 36 -11.437 -8.000 -1.851 1.00 3.44 H new ATOM 0 HE1 TRP A 36 -11.817 -9.701 0.062 1.00 73.53 H new ATOM 0 HE3 TRP A 36 -7.744 -6.417 1.308 1.00 73.13 H new ATOM 0 HZ2 TRP A 36 -10.666 -10.257 2.566 1.00 64.13 H new ATOM 0 HZ3 TRP A 36 -7.443 -7.585 3.453 1.00 31.30 H new ATOM 0 HH2 TRP A 36 -8.884 -9.483 4.073 1.00 62.04 H new ATOM 614 N ALA A 37 -8.463 -3.846 0.858 1.00 42.35 N ATOM 615 CA ALA A 37 -8.114 -3.586 2.249 1.00 55.11 C ATOM 616 C ALA A 37 -8.972 -2.466 2.830 1.00 60.54 C ATOM 617 O ALA A 37 -9.563 -2.616 3.899 1.00 63.01 O ATOM 618 CB ALA A 37 -6.638 -3.236 2.367 1.00 71.14 C ATOM 0 H ALA A 37 -7.811 -3.453 0.179 1.00 42.35 H new ATOM 0 HA ALA A 37 -8.308 -4.493 2.822 1.00 55.11 H new ATOM 0 HB1 ALA A 37 -6.392 -3.044 3.411 1.00 71.14 H new ATOM 0 HB2 ALA A 37 -6.036 -4.067 1.999 1.00 71.14 H new ATOM 0 HB3 ALA A 37 -6.427 -2.345 1.775 1.00 71.14 H new ATOM 624 N ALA A 38 -9.035 -1.346 2.118 1.00 1.04 N ATOM 625 CA ALA A 38 -9.822 -0.202 2.562 1.00 30.24 C ATOM 626 C ALA A 38 -11.275 -0.596 2.805 1.00 43.12 C ATOM 627 O ALA A 38 -11.921 -0.090 3.722 1.00 64.43 O ATOM 628 CB ALA A 38 -9.741 0.923 1.542 1.00 73.31 C ATOM 0 H ALA A 38 -8.551 -1.206 1.231 1.00 1.04 H new ATOM 0 HA ALA A 38 -9.406 0.149 3.506 1.00 30.24 H new ATOM 0 HB1 ALA A 38 -10.333 1.770 1.887 1.00 73.31 H new ATOM 0 HB2 ALA A 38 -8.702 1.231 1.422 1.00 73.31 H new ATOM 0 HB3 ALA A 38 -10.129 0.575 0.585 1.00 73.31 H new ATOM 634 N ASN A 39 -11.784 -1.502 1.976 1.00 72.25 N ATOM 635 CA ASN A 39 -13.162 -1.963 2.100 1.00 53.53 C ATOM 636 C ASN A 39 -13.421 -2.538 3.489 1.00 43.33 C ATOM 637 O ASN A 39 -14.527 -2.437 4.019 1.00 2.32 O ATOM 638 CB ASN A 39 -13.466 -3.018 1.034 1.00 34.03 C ATOM 639 CG ASN A 39 -14.098 -2.420 -0.208 1.00 13.35 C ATOM 640 OD1 ASN A 39 -13.417 -1.808 -1.031 1.00 2.23 O ATOM 641 ND2 ASN A 39 -15.407 -2.594 -0.349 1.00 42.31 N ATOM 0 H ASN A 39 -11.263 -1.931 1.211 1.00 72.25 H new ATOM 0 HA ASN A 39 -13.820 -1.107 1.953 1.00 53.53 H new ATOM 0 HB2 ASN A 39 -12.543 -3.529 0.759 1.00 34.03 H new ATOM 0 HB3 ASN A 39 -14.134 -3.771 1.452 1.00 34.03 H new ATOM 0 HD21 ASN A 39 -15.887 -2.213 -1.165 1.00 42.31 H new ATOM 0 HD22 ASN A 39 -15.932 -3.108 0.358 1.00 42.31 H new ATOM 648 N LYS A 40 -12.392 -3.142 4.074 1.00 23.10 N ATOM 649 CA LYS A 40 -12.505 -3.732 5.402 1.00 31.03 C ATOM 650 C LYS A 40 -12.534 -2.651 6.478 1.00 52.40 C ATOM 651 O LYS A 40 -13.361 -2.689 7.390 1.00 61.42 O ATOM 652 CB LYS A 40 -11.339 -4.689 5.659 1.00 72.30 C ATOM 653 CG LYS A 40 -11.622 -6.120 5.236 1.00 61.33 C ATOM 654 CD LYS A 40 -12.759 -6.726 6.042 1.00 51.41 C ATOM 655 CE LYS A 40 -12.854 -8.229 5.830 1.00 42.11 C ATOM 656 NZ LYS A 40 -14.145 -8.778 6.325 1.00 35.05 N ATOM 0 H LYS A 40 -11.470 -3.236 3.649 1.00 23.10 H new ATOM 0 HA LYS A 40 -13.441 -4.289 5.445 1.00 31.03 H new ATOM 0 HB2 LYS A 40 -10.460 -4.328 5.125 1.00 72.30 H new ATOM 0 HB3 LYS A 40 -11.095 -4.674 6.721 1.00 72.30 H new ATOM 0 HG2 LYS A 40 -11.874 -6.144 4.176 1.00 61.33 H new ATOM 0 HG3 LYS A 40 -10.723 -6.723 5.364 1.00 61.33 H new ATOM 0 HD2 LYS A 40 -12.608 -6.516 7.101 1.00 51.41 H new ATOM 0 HD3 LYS A 40 -13.700 -6.257 5.755 1.00 51.41 H new ATOM 0 HE2 LYS A 40 -12.747 -8.454 4.769 1.00 42.11 H new ATOM 0 HE3 LYS A 40 -12.029 -8.721 6.345 1.00 42.11 H new ATOM 0 HZ1 LYS A 40 -14.171 -9.805 6.162 1.00 35.05 H new ATOM 0 HZ2 LYS A 40 -14.236 -8.586 7.343 1.00 35.05 H new ATOM 0 HZ3 LYS A 40 -14.932 -8.327 5.816 1.00 35.05 H new ATOM 670 N LEU A 41 -11.629 -1.685 6.365 1.00 64.35 N ATOM 671 CA LEU A 41 -11.552 -0.591 7.326 1.00 65.32 C ATOM 672 C LEU A 41 -12.903 0.101 7.473 1.00 52.22 C ATOM 673 O LEU A 41 -13.206 0.679 8.517 1.00 21.01 O ATOM 674 CB LEU A 41 -10.491 0.423 6.892 1.00 75.30 C ATOM 675 CG LEU A 41 -9.042 -0.062 6.935 1.00 65.35 C ATOM 676 CD1 LEU A 41 -8.136 0.891 6.171 1.00 54.42 C ATOM 677 CD2 LEU A 41 -8.571 -0.209 8.375 1.00 53.35 C ATOM 0 H LEU A 41 -10.938 -1.637 5.616 1.00 64.35 H new ATOM 0 HA LEU A 41 -11.272 -1.009 8.293 1.00 65.32 H new ATOM 0 HB2 LEU A 41 -10.716 0.742 5.874 1.00 75.30 H new ATOM 0 HB3 LEU A 41 -10.577 1.304 7.528 1.00 75.30 H new ATOM 0 HG LEU A 41 -8.993 -1.040 6.456 1.00 65.35 H new ATOM 0 HD11 LEU A 41 -7.109 0.529 6.213 1.00 54.42 H new ATOM 0 HD12 LEU A 41 -8.459 0.946 5.131 1.00 54.42 H new ATOM 0 HD13 LEU A 41 -8.190 1.883 6.620 1.00 54.42 H new ATOM 0 HD21 LEU A 41 -7.537 -0.555 8.386 1.00 53.35 H new ATOM 0 HD22 LEU A 41 -8.636 0.755 8.879 1.00 53.35 H new ATOM 0 HD23 LEU A 41 -9.201 -0.932 8.892 1.00 53.35 H new ATOM 689 N ASP A 42 -13.711 0.036 6.421 1.00 15.52 N ATOM 690 CA ASP A 42 -15.033 0.654 6.434 1.00 23.22 C ATOM 691 C ASP A 42 -16.001 -0.150 7.297 1.00 45.32 C ATOM 692 O ASP A 42 -16.658 0.396 8.182 1.00 4.15 O ATOM 693 CB ASP A 42 -15.578 0.772 5.009 1.00 44.40 C ATOM 694 CG ASP A 42 -15.887 2.205 4.624 1.00 11.34 C ATOM 695 OD1 ASP A 42 -16.477 2.928 5.454 1.00 5.45 O ATOM 696 OD2 ASP A 42 -15.540 2.604 3.493 1.00 63.02 O ATOM 0 H ASP A 42 -13.475 -0.438 5.549 1.00 15.52 H new ATOM 0 HA ASP A 42 -14.936 1.652 6.862 1.00 23.22 H new ATOM 0 HB2 ASP A 42 -14.851 0.360 4.310 1.00 44.40 H new ATOM 0 HB3 ASP A 42 -16.483 0.171 4.918 1.00 44.40 H new ATOM 701 N ARG A 43 -16.082 -1.449 7.031 1.00 31.44 N ATOM 702 CA ARG A 43 -16.971 -2.328 7.782 1.00 34.02 C ATOM 703 C ARG A 43 -16.764 -2.156 9.284 1.00 42.33 C ATOM 704 O ARG A 43 -17.664 -2.426 10.080 1.00 23.14 O ATOM 705 CB ARG A 43 -16.733 -3.787 7.388 1.00 55.45 C ATOM 706 CG ARG A 43 -17.980 -4.490 6.878 1.00 52.14 C ATOM 707 CD ARG A 43 -18.597 -5.378 7.947 1.00 63.42 C ATOM 708 NE ARG A 43 -20.056 -5.310 7.942 1.00 44.45 N ATOM 709 CZ ARG A 43 -20.813 -5.861 7.001 1.00 74.31 C ATOM 710 NH1 ARG A 43 -20.254 -6.518 5.994 1.00 64.02 N ATOM 711 NH2 ARG A 43 -22.134 -5.756 7.065 1.00 13.02 N ATOM 0 H ARG A 43 -15.543 -1.916 6.302 1.00 31.44 H new ATOM 0 HA ARG A 43 -17.999 -2.056 7.540 1.00 34.02 H new ATOM 0 HB2 ARG A 43 -15.963 -3.826 6.617 1.00 55.45 H new ATOM 0 HB3 ARG A 43 -16.347 -4.330 8.251 1.00 55.45 H new ATOM 0 HG2 ARG A 43 -18.710 -3.748 6.554 1.00 52.14 H new ATOM 0 HG3 ARG A 43 -17.728 -5.092 6.005 1.00 52.14 H new ATOM 0 HD2 ARG A 43 -18.282 -6.409 7.787 1.00 63.42 H new ATOM 0 HD3 ARG A 43 -18.224 -5.079 8.926 1.00 63.42 H new ATOM 0 HE ARG A 43 -20.518 -4.812 8.703 1.00 44.45 H new ATOM 0 HH11 ARG A 43 -19.239 -6.601 5.940 1.00 64.02 H new ATOM 0 HH12 ARG A 43 -20.839 -6.940 5.273 1.00 64.02 H new ATOM 0 HH21 ARG A 43 -22.569 -5.252 7.838 1.00 13.02 H new ATOM 0 HH22 ARG A 43 -22.715 -6.180 6.342 1.00 13.02 H new ATOM 725 N PHE A 44 -15.573 -1.705 9.664 1.00 32.03 N ATOM 726 CA PHE A 44 -15.247 -1.499 11.071 1.00 40.10 C ATOM 727 C PHE A 44 -15.424 -0.034 11.460 1.00 34.23 C ATOM 728 O PHE A 44 -15.959 0.276 12.524 1.00 11.51 O ATOM 729 CB PHE A 44 -13.811 -1.943 11.354 1.00 61.42 C ATOM 730 CG PHE A 44 -13.608 -3.427 11.234 1.00 72.54 C ATOM 731 CD1 PHE A 44 -14.315 -4.304 12.041 1.00 55.54 C ATOM 732 CD2 PHE A 44 -12.711 -3.945 10.314 1.00 24.20 C ATOM 733 CE1 PHE A 44 -14.131 -5.669 11.932 1.00 5.24 C ATOM 734 CE2 PHE A 44 -12.522 -5.309 10.201 1.00 61.12 C ATOM 735 CZ PHE A 44 -13.233 -6.172 11.010 1.00 31.41 C ATOM 0 H PHE A 44 -14.818 -1.475 9.018 1.00 32.03 H new ATOM 0 HA PHE A 44 -15.931 -2.102 11.669 1.00 40.10 H new ATOM 0 HB2 PHE A 44 -13.139 -1.435 10.662 1.00 61.42 H new ATOM 0 HB3 PHE A 44 -13.533 -1.626 12.359 1.00 61.42 H new ATOM 0 HD1 PHE A 44 -15.018 -3.916 12.763 1.00 55.54 H new ATOM 0 HD2 PHE A 44 -12.153 -3.275 9.677 1.00 24.20 H new ATOM 0 HE1 PHE A 44 -14.688 -6.342 12.567 1.00 5.24 H new ATOM 0 HE2 PHE A 44 -11.819 -5.699 9.480 1.00 61.12 H new ATOM 0 HZ PHE A 44 -13.088 -7.239 10.923 1.00 31.41 H new ATOM 745 N GLY A 45 -14.969 0.863 10.590 1.00 11.15 N ATOM 746 CA GLY A 45 -15.085 2.284 10.861 1.00 51.23 C ATOM 747 C GLY A 45 -13.801 3.036 10.571 1.00 34.21 C ATOM 748 O GLY A 45 -13.830 4.137 10.020 1.00 45.11 O ATOM 0 H GLY A 45 -14.522 0.631 9.703 1.00 11.15 H new ATOM 0 HA2 GLY A 45 -15.891 2.701 10.257 1.00 51.23 H new ATOM 0 HA3 GLY A 45 -15.360 2.430 11.905 1.00 51.23 H new ATOM 752 N LEU A 46 -12.673 2.442 10.943 1.00 11.21 N ATOM 753 CA LEU A 46 -11.372 3.064 10.721 1.00 11.03 C ATOM 754 C LEU A 46 -11.292 3.678 9.327 1.00 74.30 C ATOM 755 O LEU A 46 -11.798 3.111 8.359 1.00 35.42 O ATOM 756 CB LEU A 46 -10.255 2.034 10.903 1.00 52.41 C ATOM 757 CG LEU A 46 -9.586 2.007 12.277 1.00 21.41 C ATOM 758 CD1 LEU A 46 -9.821 0.668 12.958 1.00 63.30 C ATOM 759 CD2 LEU A 46 -8.095 2.288 12.149 1.00 34.23 C ATOM 0 H LEU A 46 -12.632 1.531 11.400 1.00 11.21 H new ATOM 0 HA LEU A 46 -11.247 3.860 11.455 1.00 11.03 H new ATOM 0 HB2 LEU A 46 -10.664 1.044 10.701 1.00 52.41 H new ATOM 0 HB3 LEU A 46 -9.488 2.222 10.151 1.00 52.41 H new ATOM 0 HG LEU A 46 -10.032 2.788 12.893 1.00 21.41 H new ATOM 0 HD11 LEU A 46 -9.338 0.667 13.935 1.00 63.30 H new ATOM 0 HD12 LEU A 46 -10.892 0.506 13.083 1.00 63.30 H new ATOM 0 HD13 LEU A 46 -9.402 -0.130 12.345 1.00 63.30 H new ATOM 0 HD21 LEU A 46 -7.634 2.265 13.137 1.00 34.23 H new ATOM 0 HD22 LEU A 46 -7.635 1.529 11.516 1.00 34.23 H new ATOM 0 HD23 LEU A 46 -7.947 3.271 11.702 1.00 34.23 H new ATOM 771 N ALA A 47 -10.651 4.837 9.232 1.00 52.43 N ATOM 772 CA ALA A 47 -10.502 5.525 7.956 1.00 61.12 C ATOM 773 C ALA A 47 -9.542 4.775 7.038 1.00 52.43 C ATOM 774 O ALA A 47 -8.584 4.156 7.499 1.00 33.01 O ATOM 775 CB ALA A 47 -10.017 6.950 8.178 1.00 53.13 C ATOM 0 H ALA A 47 -10.226 5.320 10.024 1.00 52.43 H new ATOM 0 HA ALA A 47 -11.478 5.556 7.472 1.00 61.12 H new ATOM 0 HB1 ALA A 47 -9.910 7.452 7.216 1.00 53.13 H new ATOM 0 HB2 ALA A 47 -10.740 7.489 8.790 1.00 53.13 H new ATOM 0 HB3 ALA A 47 -9.053 6.931 8.687 1.00 53.13 H new ATOM 781 N GLU A 48 -9.807 4.836 5.736 1.00 34.12 N ATOM 782 CA GLU A 48 -8.968 4.160 4.754 1.00 62.11 C ATOM 783 C GLU A 48 -7.716 4.980 4.452 1.00 20.42 C ATOM 784 O GLU A 48 -6.710 4.447 3.985 1.00 62.13 O ATOM 785 CB GLU A 48 -9.752 3.912 3.463 1.00 10.34 C ATOM 786 CG GLU A 48 -10.296 5.181 2.829 1.00 23.43 C ATOM 787 CD GLU A 48 -11.660 4.979 2.200 1.00 54.23 C ATOM 788 OE1 GLU A 48 -11.736 4.308 1.150 1.00 51.14 O ATOM 789 OE2 GLU A 48 -12.653 5.493 2.758 1.00 73.34 O ATOM 0 H GLU A 48 -10.595 5.346 5.338 1.00 34.12 H new ATOM 0 HA GLU A 48 -8.662 3.202 5.174 1.00 62.11 H new ATOM 0 HB2 GLU A 48 -9.105 3.406 2.746 1.00 10.34 H new ATOM 0 HB3 GLU A 48 -10.581 3.237 3.675 1.00 10.34 H new ATOM 0 HG2 GLU A 48 -10.361 5.962 3.586 1.00 23.43 H new ATOM 0 HG3 GLU A 48 -9.598 5.531 2.069 1.00 23.43 H new ATOM 796 N SER A 49 -7.788 6.279 4.723 1.00 40.11 N ATOM 797 CA SER A 49 -6.664 7.174 4.476 1.00 4.21 C ATOM 798 C SER A 49 -5.514 6.879 5.435 1.00 62.20 C ATOM 799 O SER A 49 -4.402 7.379 5.261 1.00 62.21 O ATOM 800 CB SER A 49 -7.103 8.633 4.625 1.00 73.43 C ATOM 801 OG SER A 49 -7.805 9.072 3.474 1.00 12.54 O ATOM 0 H SER A 49 -8.613 6.735 5.114 1.00 40.11 H new ATOM 0 HA SER A 49 -6.317 7.008 3.456 1.00 4.21 H new ATOM 0 HB2 SER A 49 -7.738 8.737 5.505 1.00 73.43 H new ATOM 0 HB3 SER A 49 -6.229 9.265 4.786 1.00 73.43 H new ATOM 0 HG SER A 49 -8.077 10.006 3.593 1.00 12.54 H new ATOM 807 N LEU A 50 -5.790 6.063 6.446 1.00 4.15 N ATOM 808 CA LEU A 50 -4.779 5.699 7.434 1.00 53.42 C ATOM 809 C LEU A 50 -3.834 4.638 6.880 1.00 51.55 C ATOM 810 O LEU A 50 -2.884 4.227 7.547 1.00 2.50 O ATOM 811 CB LEU A 50 -5.448 5.187 8.711 1.00 64.31 C ATOM 812 CG LEU A 50 -6.494 6.109 9.338 1.00 60.54 C ATOM 813 CD1 LEU A 50 -7.514 5.301 10.125 1.00 63.40 C ATOM 814 CD2 LEU A 50 -5.825 7.143 10.231 1.00 54.21 C ATOM 0 H LEU A 50 -6.705 5.641 6.604 1.00 4.15 H new ATOM 0 HA LEU A 50 -4.197 6.590 7.668 1.00 53.42 H new ATOM 0 HB2 LEU A 50 -5.922 4.230 8.490 1.00 64.31 H new ATOM 0 HB3 LEU A 50 -4.672 4.995 9.452 1.00 64.31 H new ATOM 0 HG LEU A 50 -7.016 6.633 8.538 1.00 60.54 H new ATOM 0 HD11 LEU A 50 -8.251 5.974 10.564 1.00 63.40 H new ATOM 0 HD12 LEU A 50 -8.015 4.600 9.458 1.00 63.40 H new ATOM 0 HD13 LEU A 50 -7.008 4.750 10.918 1.00 63.40 H new ATOM 0 HD21 LEU A 50 -6.584 7.791 10.669 1.00 54.21 H new ATOM 0 HD22 LEU A 50 -5.277 6.637 11.026 1.00 54.21 H new ATOM 0 HD23 LEU A 50 -5.134 7.743 9.639 1.00 54.21 H new ATOM 826 N LEU A 51 -4.098 4.201 5.654 1.00 61.24 N ATOM 827 CA LEU A 51 -3.269 3.189 5.007 1.00 14.45 C ATOM 828 C LEU A 51 -1.998 3.810 4.436 1.00 75.31 C ATOM 829 O LEU A 51 -1.177 3.121 3.831 1.00 32.11 O ATOM 830 CB LEU A 51 -4.055 2.493 3.894 1.00 24.22 C ATOM 831 CG LEU A 51 -4.732 1.175 4.274 1.00 4.30 C ATOM 832 CD1 LEU A 51 -5.841 0.842 3.289 1.00 41.43 C ATOM 833 CD2 LEU A 51 -3.711 0.048 4.331 1.00 5.24 C ATOM 0 H LEU A 51 -4.879 4.531 5.087 1.00 61.24 H new ATOM 0 HA LEU A 51 -2.985 2.452 5.758 1.00 14.45 H new ATOM 0 HB2 LEU A 51 -4.820 3.180 3.532 1.00 24.22 H new ATOM 0 HB3 LEU A 51 -3.377 2.304 3.062 1.00 24.22 H new ATOM 0 HG LEU A 51 -5.174 1.288 5.264 1.00 4.30 H new ATOM 0 HD11 LEU A 51 -6.311 -0.099 3.575 1.00 41.43 H new ATOM 0 HD12 LEU A 51 -6.586 1.638 3.297 1.00 41.43 H new ATOM 0 HD13 LEU A 51 -5.422 0.748 2.287 1.00 41.43 H new ATOM 0 HD21 LEU A 51 -4.210 -0.882 4.603 1.00 5.24 H new ATOM 0 HD22 LEU A 51 -3.239 -0.065 3.355 1.00 5.24 H new ATOM 0 HD23 LEU A 51 -2.951 0.283 5.076 1.00 5.24 H new ATOM 845 N GLU A 52 -1.842 5.115 4.635 1.00 13.20 N ATOM 846 CA GLU A 52 -0.669 5.828 4.141 1.00 31.43 C ATOM 847 C GLU A 52 0.037 6.565 5.276 1.00 62.23 C ATOM 848 O GLU A 52 0.611 7.634 5.072 1.00 14.21 O ATOM 849 CB GLU A 52 -1.071 6.818 3.047 1.00 72.33 C ATOM 850 CG GLU A 52 -2.165 7.784 3.471 1.00 52.13 C ATOM 851 CD GLU A 52 -2.164 9.061 2.655 1.00 40.44 C ATOM 852 OE1 GLU A 52 -2.126 8.970 1.410 1.00 73.43 O ATOM 853 OE2 GLU A 52 -2.200 10.153 3.261 1.00 61.13 O ATOM 0 H GLU A 52 -2.512 5.700 5.134 1.00 13.20 H new ATOM 0 HA GLU A 52 0.021 5.096 3.722 1.00 31.43 H new ATOM 0 HB2 GLU A 52 -0.193 7.388 2.744 1.00 72.33 H new ATOM 0 HB3 GLU A 52 -1.408 6.262 2.172 1.00 72.33 H new ATOM 0 HG2 GLU A 52 -3.134 7.295 3.373 1.00 52.13 H new ATOM 0 HG3 GLU A 52 -2.038 8.031 4.525 1.00 52.13 H new ATOM 860 N SER A 53 -0.011 5.985 6.470 1.00 52.20 N ATOM 861 CA SER A 53 0.621 6.588 7.639 1.00 53.14 C ATOM 862 C SER A 53 0.979 5.525 8.673 1.00 75.32 C ATOM 863 O SER A 53 0.226 4.575 8.889 1.00 1.10 O ATOM 864 CB SER A 53 -0.307 7.632 8.263 1.00 62.11 C ATOM 865 OG SER A 53 -0.263 7.571 9.679 1.00 43.14 O ATOM 0 H SER A 53 -0.481 5.098 6.655 1.00 52.20 H new ATOM 0 HA SER A 53 1.540 7.076 7.314 1.00 53.14 H new ATOM 0 HB2 SER A 53 -0.016 8.628 7.929 1.00 62.11 H new ATOM 0 HB3 SER A 53 -1.328 7.467 7.920 1.00 62.11 H new ATOM 0 HG SER A 53 -1.105 7.911 10.047 1.00 43.14 H new ATOM 871 N LYS A 54 2.133 5.693 9.309 1.00 72.45 N ATOM 872 CA LYS A 54 2.592 4.750 10.321 1.00 20.52 C ATOM 873 C LYS A 54 1.674 4.769 11.539 1.00 13.21 C ATOM 874 O LYS A 54 1.080 3.752 11.895 1.00 53.32 O ATOM 875 CB LYS A 54 4.024 5.082 10.745 1.00 44.11 C ATOM 876 CG LYS A 54 4.879 3.856 11.016 1.00 3.13 C ATOM 877 CD LYS A 54 5.815 4.077 12.193 1.00 15.22 C ATOM 878 CE LYS A 54 6.772 5.229 11.935 1.00 45.44 C ATOM 879 NZ LYS A 54 7.735 5.413 13.056 1.00 53.21 N ATOM 0 H LYS A 54 2.768 6.474 9.141 1.00 72.45 H new ATOM 0 HA LYS A 54 2.570 3.751 9.886 1.00 20.52 H new ATOM 0 HB2 LYS A 54 4.496 5.678 9.964 1.00 44.11 H new ATOM 0 HB3 LYS A 54 3.994 5.699 11.643 1.00 44.11 H new ATOM 0 HG2 LYS A 54 4.235 3.000 11.218 1.00 3.13 H new ATOM 0 HG3 LYS A 54 5.462 3.614 10.127 1.00 3.13 H new ATOM 0 HD2 LYS A 54 5.231 4.282 13.090 1.00 15.22 H new ATOM 0 HD3 LYS A 54 6.383 3.166 12.383 1.00 15.22 H new ATOM 0 HE2 LYS A 54 7.321 5.045 11.011 1.00 45.44 H new ATOM 0 HE3 LYS A 54 6.204 6.148 11.790 1.00 45.44 H new ATOM 0 HZ1 LYS A 54 8.370 6.208 12.841 1.00 53.21 H new ATOM 0 HZ2 LYS A 54 7.213 5.614 13.933 1.00 53.21 H new ATOM 0 HZ3 LYS A 54 8.296 4.546 13.178 1.00 53.21 H new ATOM 893 N GLU A 55 1.562 5.932 12.173 1.00 61.12 N ATOM 894 CA GLU A 55 0.715 6.082 13.351 1.00 51.05 C ATOM 895 C GLU A 55 -0.698 5.576 13.072 1.00 23.41 C ATOM 896 O GLU A 55 -1.318 4.937 13.920 1.00 23.15 O ATOM 897 CB GLU A 55 0.666 7.548 13.788 1.00 24.02 C ATOM 898 CG GLU A 55 -0.078 7.769 15.094 1.00 71.13 C ATOM 899 CD GLU A 55 -0.979 8.988 15.052 1.00 4.22 C ATOM 900 OE1 GLU A 55 -0.468 10.109 15.256 1.00 32.14 O ATOM 901 OE2 GLU A 55 -2.194 8.821 14.816 1.00 52.35 O ATOM 0 H GLU A 55 2.047 6.784 11.891 1.00 61.12 H new ATOM 0 HA GLU A 55 1.145 5.485 14.155 1.00 51.05 H new ATOM 0 HB2 GLU A 55 1.685 7.922 13.892 1.00 24.02 H new ATOM 0 HB3 GLU A 55 0.189 8.136 13.004 1.00 24.02 H new ATOM 0 HG2 GLU A 55 -0.677 6.887 15.321 1.00 71.13 H new ATOM 0 HG3 GLU A 55 0.643 7.882 15.904 1.00 71.13 H new ATOM 908 N GLY A 56 -1.200 5.868 11.876 1.00 63.53 N ATOM 909 CA GLY A 56 -2.535 5.436 11.507 1.00 72.11 C ATOM 910 C GLY A 56 -2.614 3.943 11.259 1.00 52.01 C ATOM 911 O GLY A 56 -3.560 3.284 11.693 1.00 52.23 O ATOM 0 H GLY A 56 -0.706 6.396 11.156 1.00 63.53 H new ATOM 0 HA2 GLY A 56 -3.233 5.707 12.299 1.00 72.11 H new ATOM 0 HA3 GLY A 56 -2.850 5.967 10.609 1.00 72.11 H new ATOM 915 N CYS A 57 -1.619 3.408 10.560 1.00 72.13 N ATOM 916 CA CYS A 57 -1.581 1.982 10.253 1.00 52.31 C ATOM 917 C CYS A 57 -1.412 1.156 11.524 1.00 54.24 C ATOM 918 O CYS A 57 -1.999 0.083 11.659 1.00 33.34 O ATOM 919 CB CYS A 57 -0.442 1.680 9.279 1.00 71.43 C ATOM 920 SG CYS A 57 -0.894 1.855 7.537 1.00 41.53 S ATOM 0 H CYS A 57 -0.828 3.939 10.195 1.00 72.13 H new ATOM 0 HA CYS A 57 -2.529 1.710 9.789 1.00 52.31 H new ATOM 0 HB2 CYS A 57 0.393 2.346 9.495 1.00 71.43 H new ATOM 0 HB3 CYS A 57 -0.091 0.663 9.452 1.00 71.43 H new ATOM 0 HG CYS A 57 -1.725 2.846 7.402 1.00 41.53 H new ATOM 926 N GLN A 58 -0.606 1.664 12.451 1.00 53.51 N ATOM 927 CA GLN A 58 -0.359 0.972 13.709 1.00 1.21 C ATOM 928 C GLN A 58 -1.668 0.671 14.432 1.00 2.23 C ATOM 929 O GLN A 58 -1.827 -0.390 15.036 1.00 54.31 O ATOM 930 CB GLN A 58 0.551 1.812 14.607 1.00 2.13 C ATOM 931 CG GLN A 58 1.503 0.982 15.454 1.00 11.31 C ATOM 932 CD GLN A 58 1.189 1.065 16.935 1.00 11.23 C ATOM 933 OE1 GLN A 58 0.146 0.592 17.387 1.00 11.04 O ATOM 934 NE2 GLN A 58 2.093 1.666 17.699 1.00 1.42 N ATOM 0 H GLN A 58 -0.114 2.552 12.354 1.00 53.51 H new ATOM 0 HA GLN A 58 0.136 0.027 13.483 1.00 1.21 H new ATOM 0 HB2 GLN A 58 1.131 2.494 13.986 1.00 2.13 H new ATOM 0 HB3 GLN A 58 -0.066 2.425 15.264 1.00 2.13 H new ATOM 0 HG2 GLN A 58 1.455 -0.059 15.134 1.00 11.31 H new ATOM 0 HG3 GLN A 58 2.525 1.321 15.283 1.00 11.31 H new ATOM 0 HE21 GLN A 58 2.944 2.044 17.282 1.00 1.42 H new ATOM 0 HE22 GLN A 58 1.937 1.750 18.703 1.00 1.42 H new ATOM 943 N LYS A 59 -2.604 1.613 14.366 1.00 21.52 N ATOM 944 CA LYS A 59 -3.901 1.449 15.014 1.00 64.34 C ATOM 945 C LYS A 59 -4.723 0.367 14.319 1.00 4.14 C ATOM 946 O LYS A 59 -5.677 -0.162 14.890 1.00 61.23 O ATOM 947 CB LYS A 59 -4.668 2.773 15.003 1.00 33.54 C ATOM 948 CG LYS A 59 -5.174 3.192 16.373 1.00 25.13 C ATOM 949 CD LYS A 59 -5.363 4.697 16.461 1.00 55.34 C ATOM 950 CE LYS A 59 -6.629 5.056 17.225 1.00 4.32 C ATOM 951 NZ LYS A 59 -7.858 4.663 16.482 1.00 24.43 N ATOM 0 H LYS A 59 -2.489 2.497 13.871 1.00 21.52 H new ATOM 0 HA LYS A 59 -3.729 1.143 16.046 1.00 64.34 H new ATOM 0 HB2 LYS A 59 -4.020 3.556 14.609 1.00 33.54 H new ATOM 0 HB3 LYS A 59 -5.515 2.687 14.322 1.00 33.54 H new ATOM 0 HG2 LYS A 59 -6.120 2.693 16.581 1.00 25.13 H new ATOM 0 HG3 LYS A 59 -4.468 2.868 17.138 1.00 25.13 H new ATOM 0 HD2 LYS A 59 -4.500 5.145 16.954 1.00 55.34 H new ATOM 0 HD3 LYS A 59 -5.411 5.118 15.457 1.00 55.34 H new ATOM 0 HE2 LYS A 59 -6.619 4.562 18.196 1.00 4.32 H new ATOM 0 HE3 LYS A 59 -6.647 6.129 17.414 1.00 4.32 H new ATOM 0 HZ1 LYS A 59 -8.660 5.240 16.808 1.00 24.43 H new ATOM 0 HZ2 LYS A 59 -7.712 4.816 15.464 1.00 24.43 H new ATOM 0 HZ3 LYS A 59 -8.062 3.658 16.655 1.00 24.43 H new ATOM 965 N ILE A 60 -4.345 0.043 13.087 1.00 61.51 N ATOM 966 CA ILE A 60 -5.046 -0.977 12.318 1.00 25.52 C ATOM 967 C ILE A 60 -4.620 -2.378 12.746 1.00 32.00 C ATOM 968 O ILE A 60 -5.449 -3.281 12.868 1.00 1.20 O ATOM 969 CB ILE A 60 -4.792 -0.816 10.807 1.00 11.14 C ATOM 970 CG1 ILE A 60 -5.042 0.630 10.378 1.00 41.54 C ATOM 971 CG2 ILE A 60 -5.677 -1.769 10.017 1.00 13.24 C ATOM 972 CD1 ILE A 60 -4.806 0.873 8.903 1.00 13.13 C ATOM 0 H ILE A 60 -3.558 0.472 12.601 1.00 61.51 H new ATOM 0 HA ILE A 60 -6.110 -0.846 12.516 1.00 25.52 H new ATOM 0 HB ILE A 60 -3.751 -1.062 10.600 1.00 11.14 H new ATOM 0 HG12 ILE A 60 -6.069 0.900 10.623 1.00 41.54 H new ATOM 0 HG13 ILE A 60 -4.393 1.289 10.955 1.00 41.54 H new ATOM 0 HG21 ILE A 60 -5.486 -1.644 8.951 1.00 13.24 H new ATOM 0 HG22 ILE A 60 -5.455 -2.796 10.307 1.00 13.24 H new ATOM 0 HG23 ILE A 60 -6.724 -1.551 10.226 1.00 13.24 H new ATOM 0 HD11 ILE A 60 -5.002 1.920 8.671 1.00 13.13 H new ATOM 0 HD12 ILE A 60 -3.772 0.634 8.656 1.00 13.13 H new ATOM 0 HD13 ILE A 60 -5.474 0.240 8.319 1.00 13.13 H new ATOM 984 N LEU A 61 -3.324 -2.552 12.975 1.00 24.11 N ATOM 985 CA LEU A 61 -2.787 -3.842 13.393 1.00 60.50 C ATOM 986 C LEU A 61 -3.378 -4.270 14.732 1.00 30.52 C ATOM 987 O LEU A 61 -3.732 -5.435 14.925 1.00 42.32 O ATOM 988 CB LEU A 61 -1.261 -3.775 13.493 1.00 34.43 C ATOM 989 CG LEU A 61 -0.510 -3.584 12.176 1.00 54.52 C ATOM 990 CD1 LEU A 61 0.992 -3.630 12.407 1.00 20.13 C ATOM 991 CD2 LEU A 61 -0.929 -4.640 11.164 1.00 1.13 C ATOM 0 H LEU A 61 -2.625 -1.816 12.878 1.00 24.11 H new ATOM 0 HA LEU A 61 -3.063 -4.582 12.642 1.00 60.50 H new ATOM 0 HB2 LEU A 61 -0.996 -2.955 14.161 1.00 34.43 H new ATOM 0 HB3 LEU A 61 -0.907 -4.694 13.960 1.00 34.43 H new ATOM 0 HG LEU A 61 -0.765 -2.604 11.774 1.00 54.52 H new ATOM 0 HD11 LEU A 61 1.510 -3.492 11.458 1.00 20.13 H new ATOM 0 HD12 LEU A 61 1.279 -2.835 13.096 1.00 20.13 H new ATOM 0 HD13 LEU A 61 1.265 -4.595 12.833 1.00 20.13 H new ATOM 0 HD21 LEU A 61 -0.384 -4.488 10.233 1.00 1.13 H new ATOM 0 HD22 LEU A 61 -0.704 -5.631 11.558 1.00 1.13 H new ATOM 0 HD23 LEU A 61 -1.999 -4.559 10.975 1.00 1.13 H new ATOM 1003 N THR A 62 -3.484 -3.321 15.657 1.00 62.40 N ATOM 1004 CA THR A 62 -4.033 -3.599 16.978 1.00 52.04 C ATOM 1005 C THR A 62 -5.487 -4.046 16.886 1.00 12.44 C ATOM 1006 O THR A 62 -5.957 -4.838 17.703 1.00 50.11 O ATOM 1007 CB THR A 62 -3.944 -2.365 17.894 1.00 51.51 C ATOM 1008 OG1 THR A 62 -3.725 -2.773 19.249 1.00 72.42 O ATOM 1009 CG2 THR A 62 -5.216 -1.534 17.809 1.00 14.03 C ATOM 0 H THR A 62 -3.197 -2.353 15.515 1.00 62.40 H new ATOM 0 HA THR A 62 -3.435 -4.404 17.406 1.00 52.04 H new ATOM 0 HB THR A 62 -3.106 -1.753 17.560 1.00 51.51 H new ATOM 0 HG1 THR A 62 -3.668 -1.981 19.824 1.00 72.42 H new ATOM 0 HG21 THR A 62 -5.129 -0.668 18.465 1.00 14.03 H new ATOM 0 HG22 THR A 62 -5.364 -1.199 16.782 1.00 14.03 H new ATOM 0 HG23 THR A 62 -6.068 -2.140 18.119 1.00 14.03 H new ATOM 1017 N VAL A 63 -6.197 -3.533 15.886 1.00 40.40 N ATOM 1018 CA VAL A 63 -7.599 -3.881 15.686 1.00 43.11 C ATOM 1019 C VAL A 63 -7.738 -5.244 15.017 1.00 45.53 C ATOM 1020 O VAL A 63 -8.616 -6.032 15.365 1.00 32.01 O ATOM 1021 CB VAL A 63 -8.323 -2.824 14.830 1.00 32.22 C ATOM 1022 CG1 VAL A 63 -9.764 -3.240 14.574 1.00 41.21 C ATOM 1023 CG2 VAL A 63 -8.264 -1.462 15.503 1.00 4.12 C ATOM 0 H VAL A 63 -5.824 -2.875 15.202 1.00 40.40 H new ATOM 0 HA VAL A 63 -8.060 -3.916 16.673 1.00 43.11 H new ATOM 0 HB VAL A 63 -7.815 -2.750 13.868 1.00 32.22 H new ATOM 0 HG11 VAL A 63 -10.259 -2.481 13.968 1.00 41.21 H new ATOM 0 HG12 VAL A 63 -9.779 -4.193 14.046 1.00 41.21 H new ATOM 0 HG13 VAL A 63 -10.287 -3.344 15.525 1.00 41.21 H new ATOM 0 HG21 VAL A 63 -8.780 -0.728 14.884 1.00 4.12 H new ATOM 0 HG22 VAL A 63 -8.746 -1.517 16.479 1.00 4.12 H new ATOM 0 HG23 VAL A 63 -7.223 -1.163 15.629 1.00 4.12 H new ATOM 1033 N LEU A 64 -6.863 -5.514 14.054 1.00 51.20 N ATOM 1034 CA LEU A 64 -6.887 -6.783 13.334 1.00 44.30 C ATOM 1035 C LEU A 64 -6.296 -7.902 14.185 1.00 24.34 C ATOM 1036 O LEU A 64 -6.569 -9.081 13.955 1.00 3.45 O ATOM 1037 CB LEU A 64 -6.111 -6.662 12.022 1.00 42.20 C ATOM 1038 CG LEU A 64 -6.759 -5.802 10.936 1.00 73.43 C ATOM 1039 CD1 LEU A 64 -5.783 -5.556 9.796 1.00 71.42 C ATOM 1040 CD2 LEU A 64 -8.030 -6.463 10.421 1.00 45.25 C ATOM 0 H LEU A 64 -6.129 -4.872 13.754 1.00 51.20 H new ATOM 0 HA LEU A 64 -7.926 -7.028 13.114 1.00 44.30 H new ATOM 0 HB2 LEU A 64 -5.126 -6.252 12.242 1.00 42.20 H new ATOM 0 HB3 LEU A 64 -5.957 -7.664 11.621 1.00 42.20 H new ATOM 0 HG LEU A 64 -7.025 -4.839 11.372 1.00 73.43 H new ATOM 0 HD11 LEU A 64 -6.262 -4.942 9.033 1.00 71.42 H new ATOM 0 HD12 LEU A 64 -4.902 -5.040 10.177 1.00 71.42 H new ATOM 0 HD13 LEU A 64 -5.485 -6.510 9.360 1.00 71.42 H new ATOM 0 HD21 LEU A 64 -8.478 -5.838 9.649 1.00 45.25 H new ATOM 0 HD22 LEU A 64 -7.788 -7.440 10.002 1.00 45.25 H new ATOM 0 HD23 LEU A 64 -8.735 -6.586 11.243 1.00 45.25 H new ATOM 1052 N ASP A 65 -5.487 -7.527 15.170 1.00 52.43 N ATOM 1053 CA ASP A 65 -4.860 -8.499 16.058 1.00 13.33 C ATOM 1054 C ASP A 65 -5.898 -9.456 16.635 1.00 50.13 C ATOM 1055 O ASP A 65 -5.852 -10.666 16.416 1.00 20.41 O ATOM 1056 CB ASP A 65 -4.123 -7.784 17.191 1.00 5.53 C ATOM 1057 CG ASP A 65 -2.616 -7.845 17.031 1.00 60.22 C ATOM 1058 OD1 ASP A 65 -2.090 -8.950 16.782 1.00 14.32 O ATOM 1059 OD2 ASP A 65 -1.963 -6.787 17.154 1.00 22.40 O ATOM 0 H ASP A 65 -5.250 -6.556 15.374 1.00 52.43 H new ATOM 0 HA ASP A 65 -4.143 -9.077 15.476 1.00 13.33 H new ATOM 0 HB2 ASP A 65 -4.440 -6.742 17.226 1.00 5.53 H new ATOM 0 HB3 ASP A 65 -4.403 -8.234 18.143 1.00 5.53 H new ATOM 1064 N PRO A 66 -6.859 -8.904 17.391 1.00 5.53 N ATOM 1065 CA PRO A 66 -7.926 -9.690 18.016 1.00 24.42 C ATOM 1066 C PRO A 66 -8.913 -10.242 16.993 1.00 13.34 C ATOM 1067 O PRO A 66 -9.675 -11.162 17.286 1.00 34.34 O ATOM 1068 CB PRO A 66 -8.617 -8.682 18.937 1.00 31.31 C ATOM 1069 CG PRO A 66 -8.337 -7.354 18.324 1.00 72.11 C ATOM 1070 CD PRO A 66 -6.976 -7.467 17.696 1.00 63.24 C ATOM 0 HA PRO A 66 -7.537 -10.565 18.536 1.00 24.42 H new ATOM 0 HB2 PRO A 66 -9.689 -8.872 18.998 1.00 31.31 H new ATOM 0 HB3 PRO A 66 -8.225 -8.740 19.952 1.00 31.31 H new ATOM 0 HG2 PRO A 66 -9.091 -7.101 17.579 1.00 72.11 H new ATOM 0 HG3 PRO A 66 -8.356 -6.565 19.076 1.00 72.11 H new ATOM 0 HD2 PRO A 66 -6.897 -6.857 16.796 1.00 63.24 H new ATOM 0 HD3 PRO A 66 -6.191 -7.135 18.376 1.00 63.24 H new ATOM 1078 N MET A 67 -8.893 -9.674 15.792 1.00 63.04 N ATOM 1079 CA MET A 67 -9.787 -10.111 14.725 1.00 24.43 C ATOM 1080 C MET A 67 -9.288 -11.408 14.096 1.00 25.13 C ATOM 1081 O MET A 67 -10.055 -12.145 13.477 1.00 14.25 O ATOM 1082 CB MET A 67 -9.907 -9.025 13.655 1.00 43.40 C ATOM 1083 CG MET A 67 -10.592 -7.760 14.147 1.00 72.43 C ATOM 1084 SD MET A 67 -12.380 -7.803 13.913 1.00 3.33 S ATOM 1085 CE MET A 67 -12.921 -6.736 15.246 1.00 44.11 C ATOM 0 H MET A 67 -8.268 -8.911 15.533 1.00 63.04 H new ATOM 0 HA MET A 67 -10.770 -10.293 15.159 1.00 24.43 H new ATOM 0 HB2 MET A 67 -8.911 -8.771 13.293 1.00 43.40 H new ATOM 0 HB3 MET A 67 -10.463 -9.423 12.806 1.00 43.40 H new ATOM 0 HG2 MET A 67 -10.371 -7.620 15.205 1.00 72.43 H new ATOM 0 HG3 MET A 67 -10.181 -6.900 13.619 1.00 72.43 H new ATOM 0 HE1 MET A 67 -14.008 -6.662 15.234 1.00 44.11 H new ATOM 0 HE2 MET A 67 -12.596 -7.152 16.200 1.00 44.11 H new ATOM 0 HE3 MET A 67 -12.488 -5.744 15.116 1.00 44.11 H new ATOM 1095 N VAL A 68 -7.997 -11.682 14.258 1.00 3.43 N ATOM 1096 CA VAL A 68 -7.397 -12.891 13.707 1.00 3.55 C ATOM 1097 C VAL A 68 -8.066 -14.141 14.267 1.00 53.24 C ATOM 1098 O VAL A 68 -8.603 -14.969 13.531 1.00 74.33 O ATOM 1099 CB VAL A 68 -5.886 -12.953 14.005 1.00 15.22 C ATOM 1100 CG1 VAL A 68 -5.418 -14.397 14.086 1.00 24.41 C ATOM 1101 CG2 VAL A 68 -5.104 -12.188 12.949 1.00 62.13 C ATOM 0 H VAL A 68 -7.347 -11.083 14.766 1.00 3.43 H new ATOM 0 HA VAL A 68 -7.546 -12.855 12.628 1.00 3.55 H new ATOM 0 HB VAL A 68 -5.703 -12.482 14.971 1.00 15.22 H new ATOM 0 HG11 VAL A 68 -4.349 -14.422 14.297 1.00 24.41 H new ATOM 0 HG12 VAL A 68 -5.957 -14.910 14.882 1.00 24.41 H new ATOM 0 HG13 VAL A 68 -5.612 -14.896 13.137 1.00 24.41 H new ATOM 0 HG21 VAL A 68 -4.039 -12.242 13.175 1.00 62.13 H new ATOM 0 HG22 VAL A 68 -5.290 -12.627 11.969 1.00 62.13 H new ATOM 0 HG23 VAL A 68 -5.422 -11.145 12.945 1.00 62.13 H new ATOM 1111 N PRO A 69 -8.034 -14.283 15.600 1.00 74.15 N ATOM 1112 CA PRO A 69 -8.634 -15.430 16.288 1.00 11.24 C ATOM 1113 C PRO A 69 -10.158 -15.410 16.228 1.00 3.14 C ATOM 1114 O PRO A 69 -10.821 -16.322 16.722 1.00 13.34 O ATOM 1115 CB PRO A 69 -8.153 -15.269 17.733 1.00 42.35 C ATOM 1116 CG PRO A 69 -7.889 -13.810 17.882 1.00 5.10 C ATOM 1117 CD PRO A 69 -7.410 -13.335 16.538 1.00 62.10 C ATOM 0 HA PRO A 69 -8.344 -16.376 15.831 1.00 11.24 H new ATOM 0 HB2 PRO A 69 -8.908 -15.610 18.442 1.00 42.35 H new ATOM 0 HB3 PRO A 69 -7.253 -15.856 17.919 1.00 42.35 H new ATOM 0 HG2 PRO A 69 -8.792 -13.279 18.184 1.00 5.10 H new ATOM 0 HG3 PRO A 69 -7.139 -13.626 18.651 1.00 5.10 H new ATOM 0 HD2 PRO A 69 -7.721 -12.309 16.340 1.00 62.10 H new ATOM 0 HD3 PRO A 69 -6.322 -13.357 16.468 1.00 62.10 H new ATOM 1125 N THR A 70 -10.708 -14.363 15.620 1.00 1.34 N ATOM 1126 CA THR A 70 -12.153 -14.224 15.496 1.00 14.51 C ATOM 1127 C THR A 70 -12.542 -13.743 14.102 1.00 34.44 C ATOM 1128 O THR A 70 -13.434 -12.910 13.950 1.00 64.24 O ATOM 1129 CB THR A 70 -12.714 -13.239 16.541 1.00 60.41 C ATOM 1130 OG1 THR A 70 -12.190 -11.928 16.309 1.00 4.42 O ATOM 1131 CG2 THR A 70 -12.364 -13.689 17.951 1.00 23.45 C ATOM 0 H THR A 70 -10.174 -13.599 15.206 1.00 1.34 H new ATOM 0 HA THR A 70 -12.582 -15.211 15.670 1.00 14.51 H new ATOM 0 HB THR A 70 -13.799 -13.218 16.443 1.00 60.41 H new ATOM 0 HG1 THR A 70 -11.300 -11.855 16.713 1.00 4.42 H new ATOM 0 HG21 THR A 70 -12.770 -12.979 18.671 1.00 23.45 H new ATOM 0 HG22 THR A 70 -12.790 -14.675 18.134 1.00 23.45 H new ATOM 0 HG23 THR A 70 -11.280 -13.736 18.059 1.00 23.45 H new ATOM 1139 N GLY A 71 -11.867 -14.276 13.088 1.00 23.43 N ATOM 1140 CA GLY A 71 -12.158 -13.891 11.720 1.00 4.34 C ATOM 1141 C GLY A 71 -11.908 -15.015 10.735 1.00 74.34 C ATOM 1142 O GLY A 71 -11.529 -16.119 11.126 1.00 31.43 O ATOM 0 H GLY A 71 -11.124 -14.967 13.190 1.00 23.43 H new ATOM 0 HA2 GLY A 71 -13.199 -13.574 11.649 1.00 4.34 H new ATOM 0 HA3 GLY A 71 -11.544 -13.032 11.449 1.00 4.34 H new ATOM 1146 N SER A 72 -12.122 -14.736 9.454 1.00 54.44 N ATOM 1147 CA SER A 72 -11.924 -15.734 8.410 1.00 43.01 C ATOM 1148 C SER A 72 -10.874 -15.269 7.405 1.00 50.12 C ATOM 1149 O SER A 72 -10.180 -14.277 7.631 1.00 32.23 O ATOM 1150 CB SER A 72 -13.243 -16.019 7.689 1.00 30.31 C ATOM 1151 OG SER A 72 -13.381 -15.207 6.536 1.00 12.24 O ATOM 0 H SER A 72 -12.433 -13.826 9.114 1.00 54.44 H new ATOM 0 HA SER A 72 -11.570 -16.651 8.882 1.00 43.01 H new ATOM 0 HB2 SER A 72 -13.285 -17.070 7.404 1.00 30.31 H new ATOM 0 HB3 SER A 72 -14.078 -15.838 8.367 1.00 30.31 H new ATOM 0 HG SER A 72 -14.231 -15.410 6.093 1.00 12.24 H new ATOM 1157 N GLU A 73 -10.763 -15.993 6.296 1.00 63.22 N ATOM 1158 CA GLU A 73 -9.797 -15.655 5.258 1.00 64.25 C ATOM 1159 C GLU A 73 -9.992 -14.220 4.779 1.00 41.44 C ATOM 1160 O GLU A 73 -9.028 -13.519 4.474 1.00 70.11 O ATOM 1161 CB GLU A 73 -9.926 -16.620 4.076 1.00 0.13 C ATOM 1162 CG GLU A 73 -8.769 -17.598 3.961 1.00 74.34 C ATOM 1163 CD GLU A 73 -9.009 -18.664 2.909 1.00 60.12 C ATOM 1164 OE1 GLU A 73 -9.929 -18.485 2.083 1.00 12.41 O ATOM 1165 OE2 GLU A 73 -8.279 -19.677 2.913 1.00 55.14 O ATOM 0 H GLU A 73 -11.330 -16.817 6.093 1.00 63.22 H new ATOM 0 HA GLU A 73 -8.798 -15.745 5.685 1.00 64.25 H new ATOM 0 HB2 GLU A 73 -10.856 -17.180 4.175 1.00 0.13 H new ATOM 0 HB3 GLU A 73 -9.997 -16.044 3.153 1.00 0.13 H new ATOM 0 HG2 GLU A 73 -7.858 -17.051 3.717 1.00 74.34 H new ATOM 0 HG3 GLU A 73 -8.605 -18.076 4.927 1.00 74.34 H new ATOM 1172 N ASN A 74 -11.248 -13.788 4.715 1.00 32.24 N ATOM 1173 CA ASN A 74 -11.571 -12.437 4.272 1.00 11.34 C ATOM 1174 C ASN A 74 -11.017 -11.400 5.245 1.00 43.14 C ATOM 1175 O ASN A 74 -10.945 -10.211 4.927 1.00 24.41 O ATOM 1176 CB ASN A 74 -13.086 -12.270 4.141 1.00 74.33 C ATOM 1177 CG ASN A 74 -13.602 -12.726 2.789 1.00 53.22 C ATOM 1178 OD1 ASN A 74 -13.052 -12.366 1.748 1.00 24.04 O ATOM 1179 ND2 ASN A 74 -14.665 -13.523 2.800 1.00 1.42 N ATOM 0 H ASN A 74 -12.059 -14.355 4.965 1.00 32.24 H new ATOM 0 HA ASN A 74 -11.109 -12.280 3.297 1.00 11.34 H new ATOM 0 HB2 ASN A 74 -13.581 -12.840 4.927 1.00 74.33 H new ATOM 0 HB3 ASN A 74 -13.348 -11.223 4.293 1.00 74.33 H new ATOM 0 HD21 ASN A 74 -15.057 -13.862 1.922 1.00 1.42 H new ATOM 0 HD22 ASN A 74 -15.089 -13.796 3.687 1.00 1.42 H new ATOM 1186 N LEU A 75 -10.626 -11.856 6.429 1.00 31.33 N ATOM 1187 CA LEU A 75 -10.077 -10.969 7.448 1.00 43.43 C ATOM 1188 C LEU A 75 -8.562 -11.122 7.545 1.00 12.34 C ATOM 1189 O LEU A 75 -7.824 -10.139 7.493 1.00 44.42 O ATOM 1190 CB LEU A 75 -10.719 -11.260 8.806 1.00 43.32 C ATOM 1191 CG LEU A 75 -10.572 -10.168 9.866 1.00 51.55 C ATOM 1192 CD1 LEU A 75 -11.820 -10.092 10.731 1.00 54.23 C ATOM 1193 CD2 LEU A 75 -9.340 -10.419 10.724 1.00 53.30 C ATOM 0 H LEU A 75 -10.679 -12.836 6.708 1.00 31.33 H new ATOM 0 HA LEU A 75 -10.302 -9.942 7.160 1.00 43.43 H new ATOM 0 HB2 LEU A 75 -11.782 -11.447 8.650 1.00 43.32 H new ATOM 0 HB3 LEU A 75 -10.288 -12.181 9.199 1.00 43.32 H new ATOM 0 HG LEU A 75 -10.448 -9.211 9.359 1.00 51.55 H new ATOM 0 HD11 LEU A 75 -11.697 -9.309 11.480 1.00 54.23 H new ATOM 0 HD12 LEU A 75 -12.683 -9.863 10.105 1.00 54.23 H new ATOM 0 HD13 LEU A 75 -11.976 -11.049 11.229 1.00 54.23 H new ATOM 0 HD21 LEU A 75 -9.252 -9.632 11.473 1.00 53.30 H new ATOM 0 HD22 LEU A 75 -9.434 -11.384 11.222 1.00 53.30 H new ATOM 0 HD23 LEU A 75 -8.451 -10.421 10.093 1.00 53.30 H new ATOM 1205 N LYS A 76 -8.107 -12.362 7.685 1.00 63.32 N ATOM 1206 CA LYS A 76 -6.680 -12.646 7.786 1.00 73.32 C ATOM 1207 C LYS A 76 -5.911 -11.982 6.649 1.00 45.04 C ATOM 1208 O LYS A 76 -4.777 -11.538 6.830 1.00 41.01 O ATOM 1209 CB LYS A 76 -6.437 -14.157 7.765 1.00 35.55 C ATOM 1210 CG LYS A 76 -6.324 -14.774 9.149 1.00 21.24 C ATOM 1211 CD LYS A 76 -6.511 -16.281 9.105 1.00 22.31 C ATOM 1212 CE LYS A 76 -6.685 -16.863 10.500 1.00 55.51 C ATOM 1213 NZ LYS A 76 -6.280 -18.293 10.559 1.00 24.24 N ATOM 0 H LYS A 76 -8.705 -13.187 7.731 1.00 63.32 H new ATOM 0 HA LYS A 76 -6.320 -12.239 8.731 1.00 73.32 H new ATOM 0 HB2 LYS A 76 -7.252 -14.640 7.226 1.00 35.55 H new ATOM 0 HB3 LYS A 76 -5.522 -14.362 7.209 1.00 35.55 H new ATOM 0 HG2 LYS A 76 -5.348 -14.540 9.574 1.00 21.24 H new ATOM 0 HG3 LYS A 76 -7.072 -14.333 9.807 1.00 21.24 H new ATOM 0 HD2 LYS A 76 -7.383 -16.523 8.498 1.00 22.31 H new ATOM 0 HD3 LYS A 76 -5.649 -16.742 8.623 1.00 22.31 H new ATOM 0 HE2 LYS A 76 -6.091 -16.288 11.210 1.00 55.51 H new ATOM 0 HE3 LYS A 76 -7.727 -16.768 10.806 1.00 55.51 H new ATOM 0 HZ1 LYS A 76 -6.414 -18.652 11.526 1.00 24.24 H new ATOM 0 HZ2 LYS A 76 -6.864 -18.847 9.900 1.00 24.24 H new ATOM 0 HZ3 LYS A 76 -5.279 -18.382 10.292 1.00 24.24 H new ATOM 1227 N SER A 77 -6.536 -11.916 5.478 1.00 45.03 N ATOM 1228 CA SER A 77 -5.909 -11.307 4.310 1.00 1.32 C ATOM 1229 C SER A 77 -5.484 -9.872 4.607 1.00 32.34 C ATOM 1230 O SER A 77 -4.399 -9.439 4.218 1.00 64.34 O ATOM 1231 CB SER A 77 -6.868 -11.331 3.119 1.00 74.52 C ATOM 1232 OG SER A 77 -6.631 -12.459 2.295 1.00 65.22 O ATOM 0 H SER A 77 -7.476 -12.276 5.312 1.00 45.03 H new ATOM 0 HA SER A 77 -5.020 -11.887 4.063 1.00 1.32 H new ATOM 0 HB2 SER A 77 -7.897 -11.349 3.477 1.00 74.52 H new ATOM 0 HB3 SER A 77 -6.750 -10.419 2.534 1.00 74.52 H new ATOM 0 HG SER A 77 -7.258 -12.452 1.542 1.00 65.22 H new ATOM 1238 N LEU A 78 -6.349 -9.138 5.300 1.00 40.33 N ATOM 1239 CA LEU A 78 -6.065 -7.751 5.650 1.00 13.22 C ATOM 1240 C LEU A 78 -4.903 -7.664 6.633 1.00 0.13 C ATOM 1241 O LEU A 78 -3.983 -6.865 6.456 1.00 51.43 O ATOM 1242 CB LEU A 78 -7.308 -7.092 6.252 1.00 55.22 C ATOM 1243 CG LEU A 78 -7.161 -5.625 6.655 1.00 53.44 C ATOM 1244 CD1 LEU A 78 -7.037 -4.742 5.422 1.00 23.55 C ATOM 1245 CD2 LEU A 78 -8.342 -5.185 7.509 1.00 71.33 C ATOM 0 H LEU A 78 -7.251 -9.480 5.630 1.00 40.33 H new ATOM 0 HA LEU A 78 -5.786 -7.222 4.739 1.00 13.22 H new ATOM 0 HB2 LEU A 78 -8.121 -7.170 5.531 1.00 55.22 H new ATOM 0 HB3 LEU A 78 -7.607 -7.662 7.132 1.00 55.22 H new ATOM 0 HG LEU A 78 -6.251 -5.521 7.246 1.00 53.44 H new ATOM 0 HD11 LEU A 78 -6.933 -3.701 5.729 1.00 23.55 H new ATOM 0 HD12 LEU A 78 -6.160 -5.040 4.848 1.00 23.55 H new ATOM 0 HD13 LEU A 78 -7.929 -4.851 4.805 1.00 23.55 H new ATOM 0 HD21 LEU A 78 -8.220 -4.138 7.787 1.00 71.33 H new ATOM 0 HD22 LEU A 78 -9.265 -5.305 6.943 1.00 71.33 H new ATOM 0 HD23 LEU A 78 -8.387 -5.796 8.410 1.00 71.33 H new ATOM 1257 N PHE A 79 -4.949 -8.494 7.672 1.00 54.54 N ATOM 1258 CA PHE A 79 -3.900 -8.511 8.683 1.00 41.15 C ATOM 1259 C PHE A 79 -2.525 -8.655 8.037 1.00 25.24 C ATOM 1260 O PHE A 79 -1.526 -8.168 8.564 1.00 3.43 O ATOM 1261 CB PHE A 79 -4.134 -9.656 9.671 1.00 45.44 C ATOM 1262 CG PHE A 79 -3.325 -9.535 10.931 1.00 20.22 C ATOM 1263 CD1 PHE A 79 -3.249 -8.329 11.608 1.00 44.51 C ATOM 1264 CD2 PHE A 79 -2.642 -10.628 11.438 1.00 65.25 C ATOM 1265 CE1 PHE A 79 -2.505 -8.215 12.767 1.00 12.54 C ATOM 1266 CE2 PHE A 79 -1.897 -10.520 12.597 1.00 31.31 C ATOM 1267 CZ PHE A 79 -1.828 -9.311 13.262 1.00 63.30 C ATOM 0 H PHE A 79 -5.702 -9.163 7.834 1.00 54.54 H new ATOM 0 HA PHE A 79 -3.932 -7.563 9.221 1.00 41.15 H new ATOM 0 HB2 PHE A 79 -5.192 -9.691 9.930 1.00 45.44 H new ATOM 0 HB3 PHE A 79 -3.894 -10.601 9.184 1.00 45.44 H new ATOM 0 HD1 PHE A 79 -3.777 -7.468 11.226 1.00 44.51 H new ATOM 0 HD2 PHE A 79 -2.692 -11.575 10.922 1.00 65.25 H new ATOM 0 HE1 PHE A 79 -2.453 -7.269 13.285 1.00 12.54 H new ATOM 0 HE2 PHE A 79 -1.369 -11.380 12.982 1.00 31.31 H new ATOM 0 HZ PHE A 79 -1.246 -9.224 14.167 1.00 63.30 H new ATOM 1277 N ASN A 80 -2.482 -9.330 6.893 1.00 71.03 N ATOM 1278 CA ASN A 80 -1.230 -9.540 6.175 1.00 34.31 C ATOM 1279 C ASN A 80 -0.841 -8.294 5.385 1.00 21.13 C ATOM 1280 O ASN A 80 0.337 -7.944 5.298 1.00 14.23 O ATOM 1281 CB ASN A 80 -1.354 -10.737 5.231 1.00 54.03 C ATOM 1282 CG ASN A 80 -1.371 -12.060 5.973 1.00 61.23 C ATOM 1283 OD1 ASN A 80 -2.132 -12.241 6.923 1.00 34.52 O ATOM 1284 ND2 ASN A 80 -0.527 -12.991 5.542 1.00 54.00 N ATOM 0 H ASN A 80 -3.300 -9.741 6.443 1.00 71.03 H new ATOM 0 HA ASN A 80 -0.449 -9.743 6.908 1.00 34.31 H new ATOM 0 HB2 ASN A 80 -2.268 -10.641 4.645 1.00 54.03 H new ATOM 0 HB3 ASN A 80 -0.522 -10.729 4.527 1.00 54.03 H new ATOM 0 HD21 ASN A 80 -0.492 -13.900 6.003 1.00 54.00 H new ATOM 0 HD22 ASN A 80 0.086 -12.797 4.750 1.00 54.00 H new ATOM 1291 N THR A 81 -1.838 -7.627 4.812 1.00 25.14 N ATOM 1292 CA THR A 81 -1.600 -6.420 4.029 1.00 31.33 C ATOM 1293 C THR A 81 -1.157 -5.266 4.921 1.00 54.14 C ATOM 1294 O THR A 81 -0.113 -4.656 4.692 1.00 22.41 O ATOM 1295 CB THR A 81 -2.859 -6.000 3.250 1.00 52.33 C ATOM 1296 OG1 THR A 81 -3.372 -7.112 2.510 1.00 74.23 O ATOM 1297 CG2 THR A 81 -2.550 -4.852 2.300 1.00 3.13 C ATOM 0 H THR A 81 -2.818 -7.902 4.875 1.00 25.14 H new ATOM 0 HA THR A 81 -0.805 -6.653 3.320 1.00 31.33 H new ATOM 0 HB THR A 81 -3.608 -5.666 3.968 1.00 52.33 H new ATOM 0 HG1 THR A 81 -3.733 -7.779 3.130 1.00 74.23 H new ATOM 0 HG21 THR A 81 -3.455 -4.573 1.760 1.00 3.13 H new ATOM 0 HG22 THR A 81 -2.188 -3.996 2.869 1.00 3.13 H new ATOM 0 HG23 THR A 81 -1.785 -5.164 1.589 1.00 3.13 H new ATOM 1305 N VAL A 82 -1.959 -4.970 5.940 1.00 51.54 N ATOM 1306 CA VAL A 82 -1.649 -3.889 6.866 1.00 14.54 C ATOM 1307 C VAL A 82 -0.230 -4.019 7.409 1.00 11.12 C ATOM 1308 O VAL A 82 0.405 -3.024 7.761 1.00 34.54 O ATOM 1309 CB VAL A 82 -2.638 -3.860 8.047 1.00 63.31 C ATOM 1310 CG1 VAL A 82 -2.315 -2.709 8.988 1.00 70.31 C ATOM 1311 CG2 VAL A 82 -4.069 -3.760 7.541 1.00 70.24 C ATOM 0 H VAL A 82 -2.828 -5.464 6.144 1.00 51.54 H new ATOM 0 HA VAL A 82 -1.736 -2.958 6.305 1.00 14.54 H new ATOM 0 HB VAL A 82 -2.538 -4.791 8.604 1.00 63.31 H new ATOM 0 HG11 VAL A 82 -3.025 -2.705 9.815 1.00 70.31 H new ATOM 0 HG12 VAL A 82 -1.304 -2.830 9.377 1.00 70.31 H new ATOM 0 HG13 VAL A 82 -2.385 -1.766 8.446 1.00 70.31 H new ATOM 0 HG21 VAL A 82 -4.754 -3.741 8.389 1.00 70.24 H new ATOM 0 HG22 VAL A 82 -4.186 -2.846 6.959 1.00 70.24 H new ATOM 0 HG23 VAL A 82 -4.294 -4.622 6.912 1.00 70.24 H new ATOM 1321 N CYS A 83 0.261 -5.252 7.474 1.00 13.02 N ATOM 1322 CA CYS A 83 1.605 -5.514 7.975 1.00 64.30 C ATOM 1323 C CYS A 83 2.658 -4.926 7.040 1.00 31.24 C ATOM 1324 O CYS A 83 3.598 -4.268 7.484 1.00 3.41 O ATOM 1325 CB CYS A 83 1.829 -7.019 8.132 1.00 12.31 C ATOM 1326 SG CYS A 83 3.555 -7.484 8.407 1.00 52.21 S ATOM 0 H CYS A 83 -0.252 -6.085 7.186 1.00 13.02 H new ATOM 0 HA CYS A 83 1.702 -5.036 8.950 1.00 64.30 H new ATOM 0 HB2 CYS A 83 1.229 -7.379 8.968 1.00 12.31 H new ATOM 0 HB3 CYS A 83 1.466 -7.525 7.237 1.00 12.31 H new ATOM 0 HG CYS A 83 3.825 -8.566 7.739 1.00 52.21 H new ATOM 1332 N VAL A 84 2.493 -5.170 5.744 1.00 34.01 N ATOM 1333 CA VAL A 84 3.428 -4.665 4.747 1.00 43.31 C ATOM 1334 C VAL A 84 3.368 -3.144 4.656 1.00 4.35 C ATOM 1335 O VAL A 84 4.396 -2.480 4.520 1.00 43.50 O ATOM 1336 CB VAL A 84 3.142 -5.261 3.356 1.00 62.42 C ATOM 1337 CG1 VAL A 84 4.021 -4.605 2.301 1.00 14.33 C ATOM 1338 CG2 VAL A 84 3.349 -6.769 3.370 1.00 32.24 C ATOM 0 H VAL A 84 1.720 -5.714 5.360 1.00 34.01 H new ATOM 0 HA VAL A 84 4.425 -4.968 5.067 1.00 43.31 H new ATOM 0 HB VAL A 84 2.101 -5.061 3.102 1.00 62.42 H new ATOM 0 HG11 VAL A 84 3.804 -5.040 1.325 1.00 14.33 H new ATOM 0 HG12 VAL A 84 3.820 -3.534 2.274 1.00 14.33 H new ATOM 0 HG13 VAL A 84 5.070 -4.771 2.547 1.00 14.33 H new ATOM 0 HG21 VAL A 84 3.143 -7.174 2.379 1.00 32.24 H new ATOM 0 HG22 VAL A 84 4.380 -6.992 3.646 1.00 32.24 H new ATOM 0 HG23 VAL A 84 2.673 -7.222 4.095 1.00 32.24 H new ATOM 1348 N ILE A 85 2.160 -2.599 4.735 1.00 31.24 N ATOM 1349 CA ILE A 85 1.966 -1.156 4.666 1.00 51.04 C ATOM 1350 C ILE A 85 2.699 -0.447 5.799 1.00 20.33 C ATOM 1351 O ILE A 85 3.485 0.471 5.566 1.00 13.05 O ATOM 1352 CB ILE A 85 0.473 -0.785 4.722 1.00 2.50 C ATOM 1353 CG1 ILE A 85 -0.302 -1.531 3.635 1.00 75.04 C ATOM 1354 CG2 ILE A 85 0.295 0.719 4.571 1.00 34.43 C ATOM 1355 CD1 ILE A 85 0.046 -1.086 2.231 1.00 30.22 C ATOM 0 H ILE A 85 1.299 -3.135 4.847 1.00 31.24 H new ATOM 0 HA ILE A 85 2.377 -0.828 3.711 1.00 51.04 H new ATOM 0 HB ILE A 85 0.076 -1.082 5.693 1.00 2.50 H new ATOM 0 HG12 ILE A 85 -0.105 -2.599 3.728 1.00 75.04 H new ATOM 0 HG13 ILE A 85 -1.370 -1.388 3.799 1.00 75.04 H new ATOM 0 HG21 ILE A 85 -0.766 0.966 4.613 1.00 34.43 H new ATOM 0 HG22 ILE A 85 0.818 1.230 5.379 1.00 34.43 H new ATOM 0 HG23 ILE A 85 0.705 1.040 3.613 1.00 34.43 H new ATOM 0 HD11 ILE A 85 -0.541 -1.657 1.512 1.00 30.22 H new ATOM 0 HD12 ILE A 85 -0.177 -0.025 2.120 1.00 30.22 H new ATOM 0 HD13 ILE A 85 1.107 -1.255 2.048 1.00 30.22 H new ATOM 1367 N TRP A 86 2.437 -0.881 7.027 1.00 51.21 N ATOM 1368 CA TRP A 86 3.073 -0.289 8.199 1.00 53.35 C ATOM 1369 C TRP A 86 4.587 -0.238 8.028 1.00 3.20 C ATOM 1370 O TRP A 86 5.217 0.785 8.300 1.00 51.50 O ATOM 1371 CB TRP A 86 2.715 -1.084 9.455 1.00 41.20 C ATOM 1372 CG TRP A 86 3.237 -0.467 10.717 1.00 22.34 C ATOM 1373 CD1 TRP A 86 2.613 0.471 11.490 1.00 23.21 C ATOM 1374 CD2 TRP A 86 4.490 -0.742 11.351 1.00 24.55 C ATOM 1375 NE1 TRP A 86 3.404 0.795 12.566 1.00 13.10 N ATOM 1376 CE2 TRP A 86 4.560 0.064 12.505 1.00 64.45 C ATOM 1377 CE3 TRP A 86 5.560 -1.594 11.059 1.00 14.41 C ATOM 1378 CZ2 TRP A 86 5.658 0.042 13.361 1.00 13.45 C ATOM 1379 CZ3 TRP A 86 6.648 -1.613 11.910 1.00 52.43 C ATOM 1380 CH2 TRP A 86 6.690 -0.800 13.051 1.00 72.33 C ATOM 0 H TRP A 86 1.789 -1.640 7.237 1.00 51.21 H new ATOM 0 HA TRP A 86 2.704 0.731 8.306 1.00 53.35 H new ATOM 0 HB2 TRP A 86 1.631 -1.172 9.524 1.00 41.20 H new ATOM 0 HB3 TRP A 86 3.112 -2.095 9.362 1.00 41.20 H new ATOM 0 HD1 TRP A 86 1.641 0.895 11.285 1.00 23.21 H new ATOM 0 HE1 TRP A 86 3.168 1.471 13.293 1.00 13.10 H new ATOM 0 HE3 TRP A 86 5.536 -2.226 10.184 1.00 14.41 H new ATOM 0 HZ2 TRP A 86 5.693 0.669 14.240 1.00 13.45 H new ATOM 0 HZ3 TRP A 86 7.481 -2.266 11.692 1.00 52.43 H new ATOM 0 HH2 TRP A 86 7.554 -0.839 13.698 1.00 72.33 H new ATOM 1391 N CYS A 87 5.164 -1.345 7.577 1.00 25.01 N ATOM 1392 CA CYS A 87 6.607 -1.426 7.371 1.00 0.32 C ATOM 1393 C CYS A 87 7.102 -0.252 6.532 1.00 62.03 C ATOM 1394 O CYS A 87 8.025 0.460 6.927 1.00 43.31 O ATOM 1395 CB CYS A 87 6.973 -2.746 6.691 1.00 12.12 C ATOM 1396 SG CYS A 87 7.409 -4.072 7.839 1.00 1.52 S ATOM 0 H CYS A 87 4.656 -2.199 7.347 1.00 25.01 H new ATOM 0 HA CYS A 87 7.092 -1.382 8.346 1.00 0.32 H new ATOM 0 HB2 CYS A 87 6.132 -3.072 6.079 1.00 12.12 H new ATOM 0 HB3 CYS A 87 7.811 -2.574 6.016 1.00 12.12 H new ATOM 0 HG CYS A 87 7.700 -5.147 7.169 1.00 1.52 H new ATOM 1402 N ILE A 88 6.485 -0.059 5.371 1.00 31.53 N ATOM 1403 CA ILE A 88 6.863 1.027 4.477 1.00 44.41 C ATOM 1404 C ILE A 88 6.925 2.357 5.220 1.00 1.24 C ATOM 1405 O ILE A 88 7.780 3.197 4.942 1.00 41.21 O ATOM 1406 CB ILE A 88 5.880 1.156 3.299 1.00 0.02 C ATOM 1407 CG1 ILE A 88 5.854 -0.139 2.483 1.00 14.52 C ATOM 1408 CG2 ILE A 88 6.259 2.337 2.417 1.00 23.40 C ATOM 1409 CD1 ILE A 88 4.576 -0.331 1.697 1.00 71.53 C ATOM 0 H ILE A 88 5.721 -0.641 5.028 1.00 31.53 H new ATOM 0 HA ILE A 88 7.852 0.784 4.089 1.00 44.41 H new ATOM 0 HB ILE A 88 4.881 1.332 3.698 1.00 0.02 H new ATOM 0 HG12 ILE A 88 6.699 -0.142 1.794 1.00 14.52 H new ATOM 0 HG13 ILE A 88 5.988 -0.986 3.156 1.00 14.52 H new ATOM 0 HG21 ILE A 88 5.554 2.414 1.589 1.00 23.40 H new ATOM 0 HG22 ILE A 88 6.230 3.254 3.005 1.00 23.40 H new ATOM 0 HG23 ILE A 88 7.265 2.190 2.024 1.00 23.40 H new ATOM 0 HD11 ILE A 88 4.627 -1.268 1.143 1.00 71.53 H new ATOM 0 HD12 ILE A 88 3.729 -0.360 2.382 1.00 71.53 H new ATOM 0 HD13 ILE A 88 4.450 0.497 0.999 1.00 71.53 H new ATOM 1421 N HIS A 89 6.014 2.540 6.170 1.00 34.25 N ATOM 1422 CA HIS A 89 5.965 3.767 6.959 1.00 23.30 C ATOM 1423 C HIS A 89 7.035 3.755 8.047 1.00 75.21 C ATOM 1424 O HIS A 89 7.540 4.834 8.355 1.00 14.31 O ATOM 1425 CB HIS A 89 4.582 3.939 7.589 1.00 2.23 C ATOM 1426 CG HIS A 89 3.465 3.937 6.592 1.00 53.21 C ATOM 1427 ND1 HIS A 89 3.438 4.767 5.491 1.00 11.35 N ATOM 1428 CD2 HIS A 89 2.332 3.199 6.532 1.00 45.30 C ATOM 1429 CE1 HIS A 89 2.336 4.541 4.799 1.00 51.21 C ATOM 1430 NE2 HIS A 89 1.647 3.593 5.409 1.00 23.03 N ATOM 0 H HIS A 89 5.299 1.854 6.413 1.00 34.25 H new ATOM 0 HA HIS A 89 6.158 4.607 6.292 1.00 23.30 H new ATOM 0 HB2 HIS A 89 4.417 3.137 8.308 1.00 2.23 H new ATOM 0 HB3 HIS A 89 4.559 4.876 8.146 1.00 2.23 H new ATOM 0 HD1 HIS A 89 4.157 5.449 5.249 1.00 11.35 H new ATOM 0 HD2 HIS A 89 2.024 2.441 7.237 1.00 45.30 H new ATOM 0 HE1 HIS A 89 2.047 5.046 3.889 1.00 51.21 H new ATOM 1438 N ALA A 90 7.382 2.605 8.617 1.00 75.01 N ATOM 1439 CA ALA A 90 8.399 2.545 9.658 1.00 32.35 C ATOM 1440 C ALA A 90 9.789 2.364 9.057 1.00 14.24 C ATOM 1441 O ALA A 90 10.736 2.011 9.759 1.00 11.43 O ATOM 1442 CB ALA A 90 8.092 1.417 10.632 1.00 75.13 C ATOM 0 H ALA A 90 6.973 1.703 8.375 1.00 75.01 H new ATOM 0 HA ALA A 90 8.386 3.491 10.199 1.00 32.35 H new ATOM 0 HB1 ALA A 90 8.860 1.384 11.404 1.00 75.13 H new ATOM 0 HB2 ALA A 90 7.120 1.590 11.094 1.00 75.13 H new ATOM 0 HB3 ALA A 90 8.075 0.468 10.096 1.00 75.13 H new ATOM 1448 N GLU A 91 9.902 2.606 7.756 1.00 3.41 N ATOM 1449 CA GLU A 91 11.177 2.468 7.062 1.00 10.00 C ATOM 1450 C GLU A 91 11.620 1.008 7.022 1.00 13.42 C ATOM 1451 O GLU A 91 12.741 0.700 6.620 1.00 53.22 O ATOM 1452 CB GLU A 91 12.250 3.319 7.745 1.00 40.22 C ATOM 1453 CG GLU A 91 12.672 4.533 6.935 1.00 12.31 C ATOM 1454 CD GLU A 91 14.025 4.354 6.275 1.00 20.31 C ATOM 1455 OE1 GLU A 91 14.359 3.207 5.909 1.00 15.03 O ATOM 1456 OE2 GLU A 91 14.750 5.358 6.125 1.00 45.32 O ATOM 0 H GLU A 91 9.127 2.898 7.161 1.00 3.41 H new ATOM 0 HA GLU A 91 11.043 2.817 6.038 1.00 10.00 H new ATOM 0 HB2 GLU A 91 11.876 3.651 8.713 1.00 40.22 H new ATOM 0 HB3 GLU A 91 13.126 2.699 7.937 1.00 40.22 H new ATOM 0 HG2 GLU A 91 11.922 4.732 6.169 1.00 12.31 H new ATOM 0 HG3 GLU A 91 12.703 5.407 7.586 1.00 12.31 H new ATOM 1463 N GLU A 92 10.730 0.114 7.443 1.00 55.55 N ATOM 1464 CA GLU A 92 11.028 -1.312 7.456 1.00 63.12 C ATOM 1465 C GLU A 92 10.920 -1.905 6.054 1.00 53.33 C ATOM 1466 O GLU A 92 9.881 -1.800 5.401 1.00 11.33 O ATOM 1467 CB GLU A 92 10.079 -2.046 8.406 1.00 51.22 C ATOM 1468 CG GLU A 92 10.302 -1.707 9.870 1.00 4.34 C ATOM 1469 CD GLU A 92 11.108 -2.765 10.598 1.00 45.03 C ATOM 1470 OE1 GLU A 92 11.866 -3.499 9.929 1.00 4.22 O ATOM 1471 OE2 GLU A 92 10.982 -2.860 11.837 1.00 40.31 O ATOM 0 H GLU A 92 9.797 0.353 7.779 1.00 55.55 H new ATOM 0 HA GLU A 92 12.052 -1.438 7.807 1.00 63.12 H new ATOM 0 HB2 GLU A 92 9.051 -1.803 8.138 1.00 51.22 H new ATOM 0 HB3 GLU A 92 10.199 -3.121 8.268 1.00 51.22 H new ATOM 0 HG2 GLU A 92 10.817 -0.749 9.943 1.00 4.34 H new ATOM 0 HG3 GLU A 92 9.337 -1.588 10.363 1.00 4.34 H new ATOM 1478 N LYS A 93 12.001 -2.526 5.596 1.00 75.32 N ATOM 1479 CA LYS A 93 12.030 -3.136 4.271 1.00 34.32 C ATOM 1480 C LYS A 93 12.134 -4.655 4.374 1.00 30.20 C ATOM 1481 O LYS A 93 12.966 -5.181 5.114 1.00 72.32 O ATOM 1482 CB LYS A 93 13.205 -2.588 3.460 1.00 3.22 C ATOM 1483 CG LYS A 93 12.824 -1.446 2.533 1.00 11.23 C ATOM 1484 CD LYS A 93 13.803 -0.289 2.642 1.00 23.22 C ATOM 1485 CE LYS A 93 14.932 -0.418 1.631 1.00 51.20 C ATOM 1486 NZ LYS A 93 15.085 0.816 0.810 1.00 72.54 N ATOM 0 H LYS A 93 12.869 -2.621 6.123 1.00 75.32 H new ATOM 0 HA LYS A 93 11.099 -2.886 3.763 1.00 34.32 H new ATOM 0 HB2 LYS A 93 13.980 -2.245 4.145 1.00 3.22 H new ATOM 0 HB3 LYS A 93 13.636 -3.396 2.869 1.00 3.22 H new ATOM 0 HG2 LYS A 93 12.797 -1.805 1.504 1.00 11.23 H new ATOM 0 HG3 LYS A 93 11.820 -1.098 2.776 1.00 11.23 H new ATOM 0 HD2 LYS A 93 13.276 0.652 2.482 1.00 23.22 H new ATOM 0 HD3 LYS A 93 14.217 -0.255 3.650 1.00 23.22 H new ATOM 0 HE2 LYS A 93 15.866 -0.625 2.154 1.00 51.20 H new ATOM 0 HE3 LYS A 93 14.738 -1.268 0.977 1.00 51.20 H new ATOM 0 HZ1 LYS A 93 15.864 0.688 0.133 1.00 72.54 H new ATOM 0 HZ2 LYS A 93 14.202 0.999 0.291 1.00 72.54 H new ATOM 0 HZ3 LYS A 93 15.295 1.623 1.432 1.00 72.54 H new ATOM 1500 N VAL A 94 11.286 -5.353 3.626 1.00 25.45 N ATOM 1501 CA VAL A 94 11.285 -6.812 3.632 1.00 41.03 C ATOM 1502 C VAL A 94 11.326 -7.367 2.213 1.00 52.12 C ATOM 1503 O VAL A 94 10.733 -6.799 1.295 1.00 61.10 O ATOM 1504 CB VAL A 94 10.045 -7.370 4.354 1.00 11.11 C ATOM 1505 CG1 VAL A 94 10.128 -7.097 5.848 1.00 3.34 C ATOM 1506 CG2 VAL A 94 8.774 -6.775 3.765 1.00 20.14 C ATOM 0 H VAL A 94 10.591 -4.933 3.009 1.00 25.45 H new ATOM 0 HA VAL A 94 12.180 -7.127 4.168 1.00 41.03 H new ATOM 0 HB VAL A 94 10.016 -8.450 4.208 1.00 11.11 H new ATOM 0 HG11 VAL A 94 9.243 -7.499 6.341 1.00 3.34 H new ATOM 0 HG12 VAL A 94 11.019 -7.574 6.256 1.00 3.34 H new ATOM 0 HG13 VAL A 94 10.182 -6.022 6.019 1.00 3.34 H new ATOM 0 HG21 VAL A 94 7.907 -7.180 4.287 1.00 20.14 H new ATOM 0 HG22 VAL A 94 8.793 -5.691 3.879 1.00 20.14 H new ATOM 0 HG23 VAL A 94 8.711 -7.027 2.706 1.00 20.14 H new ATOM 1516 N LYS A 95 12.029 -8.480 2.038 1.00 35.24 N ATOM 1517 CA LYS A 95 12.146 -9.115 0.731 1.00 50.03 C ATOM 1518 C LYS A 95 10.800 -9.664 0.270 1.00 61.41 C ATOM 1519 O LYS A 95 10.365 -9.405 -0.853 1.00 40.11 O ATOM 1520 CB LYS A 95 13.179 -10.243 0.780 1.00 23.32 C ATOM 1521 CG LYS A 95 14.591 -9.763 1.070 1.00 22.11 C ATOM 1522 CD LYS A 95 14.973 -10.002 2.522 1.00 41.24 C ATOM 1523 CE LYS A 95 15.976 -8.969 3.011 1.00 42.54 C ATOM 1524 NZ LYS A 95 15.480 -8.239 4.211 1.00 41.04 N ATOM 0 H LYS A 95 12.527 -8.962 2.786 1.00 35.24 H new ATOM 0 HA LYS A 95 12.474 -8.360 0.016 1.00 50.03 H new ATOM 0 HB2 LYS A 95 12.884 -10.961 1.545 1.00 23.32 H new ATOM 0 HB3 LYS A 95 13.173 -10.772 -0.173 1.00 23.32 H new ATOM 0 HG2 LYS A 95 15.294 -10.281 0.418 1.00 22.11 H new ATOM 0 HG3 LYS A 95 14.669 -8.700 0.842 1.00 22.11 H new ATOM 0 HD2 LYS A 95 14.079 -9.967 3.145 1.00 41.24 H new ATOM 0 HD3 LYS A 95 15.396 -11.001 2.628 1.00 41.24 H new ATOM 0 HE2 LYS A 95 16.918 -9.462 3.250 1.00 42.54 H new ATOM 0 HE3 LYS A 95 16.182 -8.257 2.212 1.00 42.54 H new ATOM 0 HZ1 LYS A 95 16.192 -7.544 4.514 1.00 41.04 H new ATOM 0 HZ2 LYS A 95 14.594 -7.747 3.977 1.00 41.04 H new ATOM 0 HZ3 LYS A 95 15.307 -8.915 4.982 1.00 41.04 H new ATOM 1538 N ASP A 96 10.145 -10.421 1.142 1.00 33.42 N ATOM 1539 CA ASP A 96 8.847 -11.005 0.825 1.00 54.13 C ATOM 1540 C ASP A 96 7.855 -10.775 1.961 1.00 0.33 C ATOM 1541 O ASP A 96 8.247 -10.581 3.112 1.00 23.53 O ATOM 1542 CB ASP A 96 8.989 -12.503 0.552 1.00 63.22 C ATOM 1543 CG ASP A 96 9.706 -13.230 1.672 1.00 31.21 C ATOM 1544 OD1 ASP A 96 9.230 -13.161 2.824 1.00 21.25 O ATOM 1545 OD2 ASP A 96 10.743 -13.868 1.397 1.00 30.40 O ATOM 0 H ASP A 96 10.491 -10.645 2.075 1.00 33.42 H new ATOM 0 HA ASP A 96 8.466 -10.515 -0.071 1.00 54.13 H new ATOM 0 HB2 ASP A 96 8.000 -12.940 0.414 1.00 63.22 H new ATOM 0 HB3 ASP A 96 9.535 -12.649 -0.380 1.00 63.22 H new ATOM 1550 N THR A 97 6.568 -10.797 1.630 1.00 12.51 N ATOM 1551 CA THR A 97 5.520 -10.588 2.622 1.00 72.24 C ATOM 1552 C THR A 97 5.768 -11.429 3.868 1.00 11.33 C ATOM 1553 O THR A 97 5.708 -10.926 4.990 1.00 50.05 O ATOM 1554 CB THR A 97 4.131 -10.932 2.052 1.00 52.12 C ATOM 1555 OG1 THR A 97 3.812 -10.048 0.972 1.00 55.51 O ATOM 1556 CG2 THR A 97 3.063 -10.829 3.131 1.00 44.04 C ATOM 0 H THR A 97 6.226 -10.957 0.683 1.00 12.51 H new ATOM 0 HA THR A 97 5.543 -9.532 2.889 1.00 72.24 H new ATOM 0 HB THR A 97 4.157 -11.958 1.685 1.00 52.12 H new ATOM 0 HG1 THR A 97 4.449 -10.183 0.240 1.00 55.51 H new ATOM 0 HG21 THR A 97 2.091 -11.076 2.705 1.00 44.04 H new ATOM 0 HG22 THR A 97 3.293 -11.524 3.938 1.00 44.04 H new ATOM 0 HG23 THR A 97 3.039 -9.812 3.524 1.00 44.04 H new ATOM 1564 N GLU A 98 6.048 -12.713 3.665 1.00 32.22 N ATOM 1565 CA GLU A 98 6.304 -13.623 4.774 1.00 11.12 C ATOM 1566 C GLU A 98 7.359 -13.049 5.717 1.00 40.23 C ATOM 1567 O GLU A 98 7.360 -13.335 6.914 1.00 71.25 O ATOM 1568 CB GLU A 98 6.761 -14.986 4.250 1.00 72.11 C ATOM 1569 CG GLU A 98 5.697 -16.066 4.353 1.00 41.35 C ATOM 1570 CD GLU A 98 5.998 -17.080 5.439 1.00 33.11 C ATOM 1571 OE1 GLU A 98 7.178 -17.459 5.588 1.00 14.50 O ATOM 1572 OE2 GLU A 98 5.052 -17.494 6.142 1.00 15.33 O ATOM 0 H GLU A 98 6.103 -13.146 2.743 1.00 32.22 H new ATOM 0 HA GLU A 98 5.374 -13.748 5.329 1.00 11.12 H new ATOM 0 HB2 GLU A 98 7.062 -14.883 3.207 1.00 72.11 H new ATOM 0 HB3 GLU A 98 7.643 -15.303 4.807 1.00 72.11 H new ATOM 0 HG2 GLU A 98 4.731 -15.601 4.553 1.00 41.35 H new ATOM 0 HG3 GLU A 98 5.612 -16.579 3.395 1.00 41.35 H new ATOM 1579 N GLY A 99 8.256 -12.238 5.166 1.00 41.32 N ATOM 1580 CA GLY A 99 9.305 -11.637 5.970 1.00 10.43 C ATOM 1581 C GLY A 99 8.804 -10.468 6.797 1.00 31.51 C ATOM 1582 O GLY A 99 9.295 -10.223 7.898 1.00 32.34 O ATOM 0 H GLY A 99 8.276 -11.986 4.178 1.00 41.32 H new ATOM 0 HA2 GLY A 99 9.728 -12.392 6.633 1.00 10.43 H new ATOM 0 HA3 GLY A 99 10.110 -11.298 5.318 1.00 10.43 H new ATOM 1586 N ALA A 100 7.824 -9.746 6.265 1.00 60.03 N ATOM 1587 CA ALA A 100 7.256 -8.598 6.961 1.00 53.31 C ATOM 1588 C ALA A 100 6.443 -9.039 8.173 1.00 52.33 C ATOM 1589 O ALA A 100 6.410 -8.353 9.195 1.00 10.33 O ATOM 1590 CB ALA A 100 6.393 -7.780 6.013 1.00 54.34 C ATOM 0 H ALA A 100 7.407 -9.936 5.354 1.00 60.03 H new ATOM 0 HA ALA A 100 8.078 -7.975 7.314 1.00 53.31 H new ATOM 0 HB1 ALA A 100 5.975 -6.926 6.546 1.00 54.34 H new ATOM 0 HB2 ALA A 100 7.002 -7.426 5.181 1.00 54.34 H new ATOM 0 HB3 ALA A 100 5.583 -8.401 5.631 1.00 54.34 H new ATOM 1596 N LYS A 101 5.785 -10.187 8.052 1.00 31.44 N ATOM 1597 CA LYS A 101 4.971 -10.720 9.138 1.00 20.41 C ATOM 1598 C LYS A 101 5.848 -11.189 10.296 1.00 71.02 C ATOM 1599 O LYS A 101 5.369 -11.365 11.416 1.00 40.13 O ATOM 1600 CB LYS A 101 4.110 -11.881 8.636 1.00 62.44 C ATOM 1601 CG LYS A 101 2.626 -11.564 8.593 1.00 33.22 C ATOM 1602 CD LYS A 101 1.783 -12.825 8.689 1.00 13.03 C ATOM 1603 CE LYS A 101 0.404 -12.531 9.261 1.00 64.44 C ATOM 1604 NZ LYS A 101 -0.552 -13.643 9.000 1.00 13.31 N ATOM 0 H LYS A 101 5.800 -10.766 7.213 1.00 31.44 H new ATOM 0 HA LYS A 101 4.321 -9.922 9.496 1.00 20.41 H new ATOM 0 HB2 LYS A 101 4.442 -12.163 7.637 1.00 62.44 H new ATOM 0 HB3 LYS A 101 4.270 -12.746 9.280 1.00 62.44 H new ATOM 0 HG2 LYS A 101 2.373 -10.893 9.413 1.00 33.22 H new ATOM 0 HG3 LYS A 101 2.392 -11.038 7.667 1.00 33.22 H new ATOM 0 HD2 LYS A 101 1.680 -13.272 7.700 1.00 13.03 H new ATOM 0 HD3 LYS A 101 2.291 -13.556 9.318 1.00 13.03 H new ATOM 0 HE2 LYS A 101 0.484 -12.365 10.335 1.00 64.44 H new ATOM 0 HE3 LYS A 101 0.018 -11.610 8.824 1.00 64.44 H new ATOM 0 HZ1 LYS A 101 -1.230 -13.353 8.267 1.00 13.31 H new ATOM 0 HZ2 LYS A 101 -0.029 -14.481 8.676 1.00 13.31 H new ATOM 0 HZ3 LYS A 101 -1.065 -13.872 9.875 1.00 13.31 H new ATOM 1618 N GLN A 102 7.132 -11.386 10.018 1.00 65.23 N ATOM 1619 CA GLN A 102 8.074 -11.833 11.037 1.00 45.22 C ATOM 1620 C GLN A 102 8.634 -10.647 11.818 1.00 73.34 C ATOM 1621 O GLN A 102 9.053 -10.791 12.966 1.00 1.23 O ATOM 1622 CB GLN A 102 9.217 -12.621 10.395 1.00 3.34 C ATOM 1623 CG GLN A 102 9.301 -14.063 10.867 1.00 72.24 C ATOM 1624 CD GLN A 102 9.324 -15.053 9.718 1.00 51.24 C ATOM 1625 OE1 GLN A 102 8.361 -15.161 8.959 1.00 75.52 O ATOM 1626 NE2 GLN A 102 10.427 -15.780 9.584 1.00 14.54 N ATOM 0 H GLN A 102 7.544 -11.243 9.096 1.00 65.23 H new ATOM 0 HA GLN A 102 7.539 -12.482 11.730 1.00 45.22 H new ATOM 0 HB2 GLN A 102 9.093 -12.608 9.312 1.00 3.34 H new ATOM 0 HB3 GLN A 102 10.160 -12.120 10.613 1.00 3.34 H new ATOM 0 HG2 GLN A 102 10.199 -14.192 11.471 1.00 72.24 H new ATOM 0 HG3 GLN A 102 8.450 -14.280 11.512 1.00 72.24 H new ATOM 0 HE21 GLN A 102 11.201 -15.657 10.237 1.00 14.54 H new ATOM 0 HE22 GLN A 102 10.500 -16.461 8.828 1.00 14.54 H new ATOM 1635 N ILE A 103 8.637 -9.479 11.187 1.00 44.33 N ATOM 1636 CA ILE A 103 9.145 -8.269 11.823 1.00 54.04 C ATOM 1637 C ILE A 103 8.084 -7.629 12.712 1.00 42.34 C ATOM 1638 O ILE A 103 8.373 -7.193 13.826 1.00 23.03 O ATOM 1639 CB ILE A 103 9.613 -7.238 10.778 1.00 21.33 C ATOM 1640 CG1 ILE A 103 10.701 -7.841 9.886 1.00 31.23 C ATOM 1641 CG2 ILE A 103 10.123 -5.980 11.468 1.00 64.53 C ATOM 1642 CD1 ILE A 103 11.226 -6.881 8.841 1.00 35.44 C ATOM 0 H ILE A 103 8.294 -9.344 10.236 1.00 44.33 H new ATOM 0 HA ILE A 103 9.997 -8.567 12.434 1.00 54.04 H new ATOM 0 HB ILE A 103 8.764 -6.967 10.150 1.00 21.33 H new ATOM 0 HG12 ILE A 103 11.530 -8.173 10.511 1.00 31.23 H new ATOM 0 HG13 ILE A 103 10.303 -8.725 9.388 1.00 31.23 H new ATOM 0 HG21 ILE A 103 10.450 -5.261 10.717 1.00 64.53 H new ATOM 0 HG22 ILE A 103 9.323 -5.543 12.065 1.00 64.53 H new ATOM 0 HG23 ILE A 103 10.962 -6.235 12.116 1.00 64.53 H new ATOM 0 HD11 ILE A 103 11.994 -7.375 8.246 1.00 35.44 H new ATOM 0 HD12 ILE A 103 10.409 -6.568 8.191 1.00 35.44 H new ATOM 0 HD13 ILE A 103 11.654 -6.007 9.332 1.00 35.44 H new ATOM 1654 N VAL A 104 6.854 -7.579 12.213 1.00 53.50 N ATOM 1655 CA VAL A 104 5.747 -6.994 12.962 1.00 23.23 C ATOM 1656 C VAL A 104 5.320 -7.904 14.110 1.00 62.33 C ATOM 1657 O VAL A 104 5.094 -7.445 15.229 1.00 41.31 O ATOM 1658 CB VAL A 104 4.533 -6.727 12.054 1.00 22.32 C ATOM 1659 CG1 VAL A 104 3.349 -6.239 12.876 1.00 21.45 C ATOM 1660 CG2 VAL A 104 4.890 -5.722 10.970 1.00 41.43 C ATOM 0 H VAL A 104 6.598 -7.937 11.293 1.00 53.50 H new ATOM 0 HA VAL A 104 6.103 -6.046 13.366 1.00 23.23 H new ATOM 0 HB VAL A 104 4.249 -7.662 11.571 1.00 22.32 H new ATOM 0 HG11 VAL A 104 2.500 -6.055 12.218 1.00 21.45 H new ATOM 0 HG12 VAL A 104 3.080 -6.997 13.612 1.00 21.45 H new ATOM 0 HG13 VAL A 104 3.618 -5.315 13.388 1.00 21.45 H new ATOM 0 HG21 VAL A 104 4.020 -5.545 10.337 1.00 41.43 H new ATOM 0 HG22 VAL A 104 5.200 -4.784 11.431 1.00 41.43 H new ATOM 0 HG23 VAL A 104 5.706 -6.115 10.364 1.00 41.43 H new ATOM 1670 N ARG A 105 5.213 -9.198 13.823 1.00 43.13 N ATOM 1671 CA ARG A 105 4.813 -10.172 14.830 1.00 74.55 C ATOM 1672 C ARG A 105 5.688 -10.060 16.074 1.00 23.20 C ATOM 1673 O ARG A 105 5.185 -10.014 17.197 1.00 10.31 O ATOM 1674 CB ARG A 105 4.897 -11.590 14.260 1.00 32.20 C ATOM 1675 CG ARG A 105 4.493 -12.669 15.251 1.00 21.14 C ATOM 1676 CD ARG A 105 5.009 -14.036 14.827 1.00 43.52 C ATOM 1677 NE ARG A 105 4.978 -14.998 15.925 1.00 54.10 N ATOM 1678 CZ ARG A 105 5.807 -14.957 16.963 1.00 54.44 C ATOM 1679 NH1 ARG A 105 6.728 -14.006 17.042 1.00 20.21 N ATOM 1680 NH2 ARG A 105 5.716 -15.868 17.923 1.00 53.11 N ATOM 0 H ARG A 105 5.398 -9.595 12.902 1.00 43.13 H new ATOM 0 HA ARG A 105 3.782 -9.961 15.113 1.00 74.55 H new ATOM 0 HB2 ARG A 105 4.256 -11.658 13.381 1.00 32.20 H new ATOM 0 HB3 ARG A 105 5.917 -11.779 13.926 1.00 32.20 H new ATOM 0 HG2 ARG A 105 4.883 -12.422 16.239 1.00 21.14 H new ATOM 0 HG3 ARG A 105 3.407 -12.699 15.335 1.00 21.14 H new ATOM 0 HD2 ARG A 105 4.406 -14.410 14.000 1.00 43.52 H new ATOM 0 HD3 ARG A 105 6.030 -13.940 14.458 1.00 43.52 H new ATOM 0 HE ARG A 105 4.282 -15.743 15.894 1.00 54.10 H new ATOM 0 HH11 ARG A 105 6.801 -13.304 16.305 1.00 20.21 H new ATOM 0 HH12 ARG A 105 7.363 -13.976 17.839 1.00 20.21 H new ATOM 0 HH21 ARG A 105 5.009 -16.601 17.865 1.00 53.11 H new ATOM 0 HH22 ARG A 105 6.353 -15.835 18.719 1.00 53.11 H new ATOM 1694 N ARG A 106 7.000 -10.017 15.867 1.00 43.24 N ATOM 1695 CA ARG A 106 7.945 -9.911 16.971 1.00 70.23 C ATOM 1696 C ARG A 106 7.761 -8.595 17.721 1.00 60.10 C ATOM 1697 O ARG A 106 7.781 -8.562 18.952 1.00 52.44 O ATOM 1698 CB ARG A 106 9.381 -10.019 16.454 1.00 24.22 C ATOM 1699 CG ARG A 106 9.831 -11.448 16.201 1.00 64.22 C ATOM 1700 CD ARG A 106 10.415 -12.078 17.456 1.00 30.54 C ATOM 1701 NE ARG A 106 11.745 -12.635 17.223 1.00 52.44 N ATOM 1702 CZ ARG A 106 11.972 -13.704 16.469 1.00 61.50 C ATOM 1703 NH1 ARG A 106 10.963 -14.331 15.879 1.00 13.33 N ATOM 1704 NH2 ARG A 106 13.211 -14.151 16.304 1.00 44.24 N ATOM 0 H ARG A 106 7.433 -10.054 14.944 1.00 43.24 H new ATOM 0 HA ARG A 106 7.752 -10.732 17.661 1.00 70.23 H new ATOM 0 HB2 ARG A 106 9.469 -9.450 15.528 1.00 24.22 H new ATOM 0 HB3 ARG A 106 10.054 -9.558 17.177 1.00 24.22 H new ATOM 0 HG2 ARG A 106 8.985 -12.041 15.855 1.00 64.22 H new ATOM 0 HG3 ARG A 106 10.576 -11.461 15.406 1.00 64.22 H new ATOM 0 HD2 ARG A 106 10.469 -11.329 18.246 1.00 30.54 H new ATOM 0 HD3 ARG A 106 9.749 -12.866 17.809 1.00 30.54 H new ATOM 0 HE ARG A 106 12.543 -12.178 17.664 1.00 52.44 H new ATOM 0 HH11 ARG A 106 10.009 -13.992 16.004 1.00 13.33 H new ATOM 0 HH12 ARG A 106 11.141 -15.152 15.300 1.00 13.33 H new ATOM 0 HH21 ARG A 106 13.990 -13.673 16.757 1.00 44.24 H new ATOM 0 HH22 ARG A 106 13.384 -14.972 15.724 1.00 44.24 H new ATOM 1718 N HIS A 107 7.582 -7.512 16.970 1.00 11.12 N ATOM 1719 CA HIS A 107 7.394 -6.192 17.563 1.00 31.40 C ATOM 1720 C HIS A 107 6.209 -6.194 18.525 1.00 2.23 C ATOM 1721 O HIS A 107 6.275 -5.452 19.506 1.00 21.33 O ATOM 1722 CB HIS A 107 7.177 -5.145 16.471 1.00 64.13 C ATOM 1723 CG HIS A 107 8.440 -4.725 15.784 1.00 4.11 C ATOM 1724 ND1 HIS A 107 9.658 -4.652 16.428 1.00 55.44 N ATOM 1725 CD2 HIS A 107 8.671 -4.356 14.503 1.00 43.00 C ATOM 1726 CE1 HIS A 107 10.583 -4.255 15.571 1.00 54.32 C ATOM 1727 NE2 HIS A 107 10.009 -4.069 14.395 1.00 24.21 N ATOM 0 H HIS A 107 7.563 -7.523 15.950 1.00 11.12 H new ATOM 0 HA HIS A 107 8.295 -5.940 18.123 1.00 31.40 H new ATOM 0 HB2 HIS A 107 6.485 -5.544 15.729 1.00 64.13 H new ATOM 0 HB3 HIS A 107 6.703 -4.267 16.910 1.00 64.13 H new ATOM 0 HD2 HIS A 107 7.938 -4.298 13.712 1.00 43.00 H new ATOM 0 HE1 HIS A 107 11.629 -4.108 15.794 1.00 54.32 H new ATOM 0 HE2 HIS A 107 10.483 -3.762 13.546 1.00 24.21 H new ATOM 1735 N LEU A 108 5.165 -6.978 18.280 1.00 2.14 N ATOM 1736 CA LEU A 108 4.010 -7.014 19.170 1.00 35.04 C ATOM 1737 C LEU A 108 4.316 -7.822 20.427 1.00 71.30 C ATOM 1738 O LEU A 108 3.936 -7.436 21.533 1.00 23.21 O ATOM 1739 CB LEU A 108 2.802 -7.612 18.447 1.00 72.13 C ATOM 1740 CG LEU A 108 2.189 -6.753 17.340 1.00 2.12 C ATOM 1741 CD1 LEU A 108 1.510 -7.628 16.299 1.00 32.33 C ATOM 1742 CD2 LEU A 108 1.203 -5.753 17.926 1.00 55.02 C ATOM 0 H LEU A 108 5.095 -7.597 17.473 1.00 2.14 H new ATOM 0 HA LEU A 108 3.778 -5.991 19.466 1.00 35.04 H new ATOM 0 HB2 LEU A 108 3.099 -8.568 18.015 1.00 72.13 H new ATOM 0 HB3 LEU A 108 2.029 -7.822 19.186 1.00 72.13 H new ATOM 0 HG LEU A 108 2.990 -6.199 16.851 1.00 2.12 H new ATOM 0 HD11 LEU A 108 1.080 -6.999 15.520 1.00 32.33 H new ATOM 0 HD12 LEU A 108 2.243 -8.303 15.857 1.00 32.33 H new ATOM 0 HD13 LEU A 108 0.720 -8.210 16.773 1.00 32.33 H new ATOM 0 HD21 LEU A 108 0.776 -5.150 17.124 1.00 55.02 H new ATOM 0 HD22 LEU A 108 0.405 -6.288 18.442 1.00 55.02 H new ATOM 0 HD23 LEU A 108 1.720 -5.104 18.633 1.00 55.02 H new