USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 900 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 34 GLN :FLIP amide:sc= 0.571 F(o=-1.8,f=1.2) USER MOD Set 1.2: A 105 THR OG1 : rot 83:sc= 0.668 USER MOD Set 2.1: A 45 THR OG1 : rot 66:sc= 0.94 USER MOD Set 2.2: A 103 SER OG : rot 180:sc=-0.00345 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.0981 X(o=-0.098,f=-0.0047) USER MOD Single : A 19 THR OG1 : rot -78:sc= 0.288 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.28 K(o=-0.28,f=-1.3!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 29 SER OG : rot -55:sc= 1.16 USER MOD Single : A 30 CYS SG : rot -139:sc= -0.265 USER MOD Single : A 31 ASN : amide:sc= -0.929 K(o=-0.93,f=-1.8) USER MOD Single : A 32 TYR OH : rot 100:sc= -0.979 USER MOD Single : A 33 LYS NZ :NH3+ 155:sc= -0.0961 (180deg=-0.481) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0.023) USER MOD Single : A 43 THR OG1 : rot -91:sc= 1.26 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot 6:sc= 0.756! USER MOD Single : A 56 MET CE :methyl 144:sc= -1.33 (180deg=-7.34!) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.0099) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot -170:sc= -0.101 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.6!) USER MOD Single : A 93 CYS SG : rot -51:sc= 0.249 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot -28:sc= 0.146 USER MOD Single : A 107 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0206) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ -158:sc= -0.0458 (180deg=-0.3) USER MOD Single : A 114 GLN : amide:sc= -0.0876 K(o=-0.088,f=-0.98) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 GLN : amide:sc= -0.0402 X(o=-0.04,f=-0.3) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 10.422 13.480 4.695 1.00 52.30 N ATOM 136 CA ALA A 10 9.714 13.801 5.928 1.00 4.43 C ATOM 137 C ALA A 10 9.203 12.538 6.612 1.00 30.43 C ATOM 138 O ALA A 10 8.182 12.562 7.299 1.00 13.42 O ATOM 139 CB ALA A 10 8.561 14.752 5.643 1.00 41.23 C ATOM 0 HA ALA A 10 10.416 14.291 6.603 1.00 4.43 H new ATOM 0 HB1 ALA A 10 8.041 14.983 6.573 1.00 41.23 H new ATOM 0 HB2 ALA A 10 8.948 15.672 5.205 1.00 41.23 H new ATOM 0 HB3 ALA A 10 7.866 14.283 4.946 1.00 41.23 H new ATOM 145 N TYR A 11 9.919 11.436 6.419 1.00 25.52 N ATOM 146 CA TYR A 11 9.535 10.161 7.015 1.00 30.10 C ATOM 147 C TYR A 11 10.708 9.536 7.764 1.00 55.01 C ATOM 148 O TYR A 11 11.872 9.867 7.538 1.00 65.25 O ATOM 149 CB TYR A 11 9.036 9.199 5.935 1.00 72.44 C ATOM 150 CG TYR A 11 7.533 9.025 5.929 1.00 35.23 C ATOM 151 CD1 TYR A 11 6.687 10.121 5.820 1.00 52.52 C ATOM 152 CD2 TYR A 11 6.961 7.763 6.032 1.00 21.51 C ATOM 153 CE1 TYR A 11 5.314 9.966 5.815 1.00 71.01 C ATOM 154 CE2 TYR A 11 5.588 7.598 6.025 1.00 0.34 C ATOM 155 CZ TYR A 11 4.770 8.703 5.918 1.00 22.11 C ATOM 156 OH TYR A 11 3.403 8.544 5.911 1.00 32.21 O ATOM 0 H TYR A 11 10.768 11.399 5.855 1.00 25.52 H new ATOM 0 HA TYR A 11 8.730 10.349 7.726 1.00 30.10 H new ATOM 0 HB2 TYR A 11 9.355 9.564 4.959 1.00 72.44 H new ATOM 0 HB3 TYR A 11 9.506 8.226 6.081 1.00 72.44 H new ATOM 0 HD1 TYR A 11 7.110 11.111 5.738 1.00 52.52 H new ATOM 0 HD2 TYR A 11 7.599 6.896 6.119 1.00 21.51 H new ATOM 0 HE1 TYR A 11 4.670 10.829 5.731 1.00 71.01 H new ATOM 0 HE2 TYR A 11 5.159 6.610 6.103 1.00 0.34 H new ATOM 0 HH TYR A 11 3.184 7.592 5.990 1.00 32.21 H new ATOM 166 N PRO A 12 10.396 8.608 8.681 1.00 61.34 N ATOM 167 CA PRO A 12 9.013 8.205 8.961 1.00 5.54 C ATOM 168 C PRO A 12 8.219 9.304 9.659 1.00 52.51 C ATOM 169 O PRO A 12 8.790 10.274 10.161 1.00 25.33 O ATOM 170 CB PRO A 12 9.177 6.995 9.883 1.00 72.11 C ATOM 171 CG PRO A 12 10.502 7.190 10.534 1.00 13.50 C ATOM 172 CD PRO A 12 11.366 7.880 9.516 1.00 71.22 C ATOM 0 HA PRO A 12 8.458 7.990 8.048 1.00 5.54 H new ATOM 0 HB2 PRO A 12 8.376 6.949 10.621 1.00 72.11 H new ATOM 0 HB3 PRO A 12 9.146 6.062 9.320 1.00 72.11 H new ATOM 0 HG2 PRO A 12 10.408 7.792 11.438 1.00 13.50 H new ATOM 0 HG3 PRO A 12 10.935 6.235 10.831 1.00 13.50 H new ATOM 0 HD2 PRO A 12 12.079 8.557 9.987 1.00 71.22 H new ATOM 0 HD3 PRO A 12 11.944 7.166 8.930 1.00 71.22 H new ATOM 180 N LEU A 13 6.901 9.146 9.691 1.00 62.41 N ATOM 181 CA LEU A 13 6.028 10.125 10.330 1.00 10.24 C ATOM 182 C LEU A 13 5.126 9.457 11.362 1.00 53.13 C ATOM 183 O LEU A 13 4.794 8.278 11.242 1.00 14.32 O ATOM 184 CB LEU A 13 5.178 10.842 9.279 1.00 13.13 C ATOM 185 CG LEU A 13 4.286 11.971 9.795 1.00 42.54 C ATOM 186 CD1 LEU A 13 5.119 13.025 10.509 1.00 65.10 C ATOM 187 CD2 LEU A 13 3.500 12.595 8.651 1.00 2.13 C ATOM 0 H LEU A 13 6.413 8.349 9.282 1.00 62.41 H new ATOM 0 HA LEU A 13 6.654 10.856 10.841 1.00 10.24 H new ATOM 0 HB2 LEU A 13 5.844 11.250 8.519 1.00 13.13 H new ATOM 0 HB3 LEU A 13 4.546 10.103 8.786 1.00 13.13 H new ATOM 0 HG LEU A 13 3.578 11.551 10.509 1.00 42.54 H new ATOM 0 HD11 LEU A 13 4.467 13.821 10.870 1.00 65.10 H new ATOM 0 HD12 LEU A 13 5.637 12.569 11.353 1.00 65.10 H new ATOM 0 HD13 LEU A 13 5.851 13.441 9.816 1.00 65.10 H new ATOM 0 HD21 LEU A 13 2.870 13.397 9.037 1.00 2.13 H new ATOM 0 HD22 LEU A 13 4.192 13.000 7.913 1.00 2.13 H new ATOM 0 HD23 LEU A 13 2.874 11.835 8.183 1.00 2.13 H new ATOM 199 N ALA A 14 4.729 10.221 12.376 1.00 65.31 N ATOM 200 CA ALA A 14 3.862 9.705 13.427 1.00 70.33 C ATOM 201 C ALA A 14 2.457 10.289 13.316 1.00 12.44 C ATOM 202 O ALA A 14 2.290 11.480 13.051 1.00 25.42 O ATOM 203 CB ALA A 14 4.454 10.005 14.796 1.00 62.15 C ATOM 0 H ALA A 14 4.995 11.199 12.491 1.00 65.31 H new ATOM 0 HA ALA A 14 3.789 8.624 13.305 1.00 70.33 H new ATOM 0 HB1 ALA A 14 3.795 9.613 15.571 1.00 62.15 H new ATOM 0 HB2 ALA A 14 5.433 9.534 14.880 1.00 62.15 H new ATOM 0 HB3 ALA A 14 4.558 11.083 14.919 1.00 62.15 H new ATOM 209 N ASP A 15 1.452 9.445 13.520 1.00 11.43 N ATOM 210 CA ASP A 15 0.062 9.879 13.444 1.00 21.42 C ATOM 211 C ASP A 15 -0.206 11.022 14.417 1.00 14.23 C ATOM 212 O ASP A 15 0.608 11.305 15.297 1.00 21.41 O ATOM 213 CB ASP A 15 -0.877 8.708 13.741 1.00 43.14 C ATOM 214 CG ASP A 15 -0.473 7.945 14.987 1.00 72.40 C ATOM 215 OD1 ASP A 15 0.522 7.192 14.926 1.00 50.35 O ATOM 216 OD2 ASP A 15 -1.152 8.100 16.023 1.00 53.31 O ATOM 0 H ASP A 15 1.574 8.456 13.739 1.00 11.43 H new ATOM 0 HA ASP A 15 -0.125 10.238 12.432 1.00 21.42 H new ATOM 0 HB2 ASP A 15 -1.894 9.082 13.861 1.00 43.14 H new ATOM 0 HB3 ASP A 15 -0.886 8.028 12.889 1.00 43.14 H new ATOM 221 N ALA A 16 -1.351 11.677 14.254 1.00 12.41 N ATOM 222 CA ALA A 16 -1.726 12.789 15.119 1.00 0.24 C ATOM 223 C ALA A 16 -1.867 12.333 16.567 1.00 52.01 C ATOM 224 O ALA A 16 -1.709 13.127 17.496 1.00 33.53 O ATOM 225 CB ALA A 16 -3.021 13.421 14.633 1.00 41.31 C ATOM 0 H ALA A 16 -2.035 11.457 13.530 1.00 12.41 H new ATOM 0 HA ALA A 16 -0.933 13.535 15.076 1.00 0.24 H new ATOM 0 HB1 ALA A 16 -3.289 14.250 15.288 1.00 41.31 H new ATOM 0 HB2 ALA A 16 -2.886 13.791 13.616 1.00 41.31 H new ATOM 0 HB3 ALA A 16 -3.817 12.676 14.646 1.00 41.31 H new ATOM 231 N HIS A 17 -2.165 11.052 16.754 1.00 62.31 N ATOM 232 CA HIS A 17 -2.328 10.491 18.090 1.00 52.15 C ATOM 233 C HIS A 17 -0.974 10.288 18.763 1.00 2.04 C ATOM 234 O HIS A 17 -0.821 10.532 19.961 1.00 62.42 O ATOM 235 CB HIS A 17 -3.080 9.161 18.021 1.00 64.21 C ATOM 236 CG HIS A 17 -4.093 8.989 19.110 1.00 72.34 C ATOM 237 ND1 HIS A 17 -5.201 8.176 18.986 1.00 50.35 N ATOM 238 CD2 HIS A 17 -4.161 9.528 20.350 1.00 0.22 C ATOM 239 CE1 HIS A 17 -5.906 8.225 20.102 1.00 60.45 C ATOM 240 NE2 HIS A 17 -5.297 9.038 20.946 1.00 24.42 N ATOM 0 H HIS A 17 -2.299 10.382 15.997 1.00 62.31 H new ATOM 0 HA HIS A 17 -2.908 11.197 18.684 1.00 52.15 H new ATOM 0 HB2 HIS A 17 -3.580 9.085 17.055 1.00 64.21 H new ATOM 0 HB3 HIS A 17 -2.361 8.343 18.072 1.00 64.21 H new ATOM 0 HD2 HIS A 17 -3.453 10.216 20.789 1.00 0.22 H new ATOM 0 HE1 HIS A 17 -6.825 7.691 20.292 1.00 60.45 H new ATOM 0 HE2 HIS A 17 -5.618 9.265 21.887 1.00 24.42 H new ATOM 248 N LEU A 18 0.006 9.839 17.986 1.00 72.44 N ATOM 249 CA LEU A 18 1.348 9.602 18.507 1.00 62.22 C ATOM 250 C LEU A 18 2.032 10.916 18.867 1.00 10.32 C ATOM 251 O LEU A 18 2.609 11.054 19.947 1.00 21.54 O ATOM 252 CB LEU A 18 2.188 8.841 17.480 1.00 43.12 C ATOM 253 CG LEU A 18 2.586 7.415 17.861 1.00 51.45 C ATOM 254 CD1 LEU A 18 3.396 7.413 19.149 1.00 21.30 C ATOM 255 CD2 LEU A 18 1.351 6.538 18.005 1.00 22.35 C ATOM 0 H LEU A 18 -0.104 9.632 16.993 1.00 72.44 H new ATOM 0 HA LEU A 18 1.259 9.001 19.412 1.00 62.22 H new ATOM 0 HB2 LEU A 18 1.633 8.803 16.543 1.00 43.12 H new ATOM 0 HB3 LEU A 18 3.097 9.412 17.290 1.00 43.12 H new ATOM 0 HG LEU A 18 3.207 7.006 17.064 1.00 51.45 H new ATOM 0 HD11 LEU A 18 3.670 6.390 19.405 1.00 21.30 H new ATOM 0 HD12 LEU A 18 4.299 8.007 19.012 1.00 21.30 H new ATOM 0 HD13 LEU A 18 2.799 7.841 19.955 1.00 21.30 H new ATOM 0 HD21 LEU A 18 1.653 5.526 18.276 1.00 22.35 H new ATOM 0 HD22 LEU A 18 0.705 6.945 18.783 1.00 22.35 H new ATOM 0 HD23 LEU A 18 0.810 6.514 17.059 1.00 22.35 H new ATOM 267 N THR A 19 1.961 11.883 17.958 1.00 2.32 N ATOM 268 CA THR A 19 2.573 13.188 18.179 1.00 13.11 C ATOM 269 C THR A 19 1.926 13.905 19.358 1.00 54.10 C ATOM 270 O THR A 19 2.561 14.721 20.026 1.00 72.00 O ATOM 271 CB THR A 19 2.463 14.080 16.928 1.00 34.12 C ATOM 272 OG1 THR A 19 1.124 14.048 16.420 1.00 12.43 O ATOM 273 CG2 THR A 19 3.431 13.619 15.849 1.00 2.23 C ATOM 0 H THR A 19 1.485 11.787 17.061 1.00 2.32 H new ATOM 0 HA THR A 19 3.626 13.010 18.398 1.00 13.11 H new ATOM 0 HB THR A 19 2.719 15.101 17.212 1.00 34.12 H new ATOM 0 HG1 THR A 19 0.983 13.216 15.922 1.00 12.43 H new ATOM 0 HG21 THR A 19 3.336 14.264 14.975 1.00 2.23 H new ATOM 0 HG22 THR A 19 4.451 13.671 16.229 1.00 2.23 H new ATOM 0 HG23 THR A 19 3.201 12.591 15.569 1.00 2.23 H new ATOM 281 N LYS A 20 0.659 13.594 19.611 1.00 71.11 N ATOM 282 CA LYS A 20 -0.074 14.207 20.713 1.00 64.34 C ATOM 283 C LYS A 20 0.673 14.029 22.030 1.00 72.41 C ATOM 284 O LYS A 20 0.790 14.965 22.822 1.00 25.52 O ATOM 285 CB LYS A 20 -1.475 13.598 20.821 1.00 53.21 C ATOM 286 CG LYS A 20 -2.335 14.240 21.895 1.00 71.25 C ATOM 287 CD LYS A 20 -3.749 14.494 21.398 1.00 75.23 C ATOM 288 CE LYS A 20 -4.437 15.582 22.209 1.00 1.10 C ATOM 289 NZ LYS A 20 -4.772 16.768 21.373 1.00 33.11 N ATOM 0 H LYS A 20 0.118 12.921 19.068 1.00 71.11 H new ATOM 0 HA LYS A 20 -0.163 15.274 20.509 1.00 64.34 H new ATOM 0 HB2 LYS A 20 -1.979 13.693 19.859 1.00 53.21 H new ATOM 0 HB3 LYS A 20 -1.384 12.532 21.029 1.00 53.21 H new ATOM 0 HG2 LYS A 20 -2.367 13.593 22.772 1.00 71.25 H new ATOM 0 HG3 LYS A 20 -1.884 15.181 22.209 1.00 71.25 H new ATOM 0 HD2 LYS A 20 -3.720 14.785 20.348 1.00 75.23 H new ATOM 0 HD3 LYS A 20 -4.328 13.573 21.458 1.00 75.23 H new ATOM 0 HE2 LYS A 20 -5.348 15.182 22.654 1.00 1.10 H new ATOM 0 HE3 LYS A 20 -3.789 15.888 23.030 1.00 1.10 H new ATOM 0 HZ1 LYS A 20 -5.239 17.487 21.962 1.00 33.11 H new ATOM 0 HZ2 LYS A 20 -3.900 17.165 20.969 1.00 33.11 H new ATOM 0 HZ3 LYS A 20 -5.411 16.481 20.604 1.00 33.11 H new ATOM 303 N LYS A 21 1.177 12.821 22.260 1.00 32.02 N ATOM 304 CA LYS A 21 1.916 12.520 23.480 1.00 73.00 C ATOM 305 C LYS A 21 3.295 13.172 23.457 1.00 73.44 C ATOM 306 O LYS A 21 3.819 13.578 24.496 1.00 63.50 O ATOM 307 CB LYS A 21 2.060 11.006 23.653 1.00 72.04 C ATOM 308 CG LYS A 21 0.790 10.325 24.135 1.00 44.14 C ATOM 309 CD LYS A 21 0.118 9.544 23.017 1.00 54.11 C ATOM 310 CE LYS A 21 0.383 8.052 23.144 1.00 53.32 C ATOM 311 NZ LYS A 21 -0.520 7.410 24.140 1.00 0.53 N ATOM 0 H LYS A 21 1.087 12.034 21.617 1.00 32.02 H new ATOM 0 HA LYS A 21 1.356 12.925 24.323 1.00 73.00 H new ATOM 0 HB2 LYS A 21 2.359 10.567 22.701 1.00 72.04 H new ATOM 0 HB3 LYS A 21 2.862 10.805 24.363 1.00 72.04 H new ATOM 0 HG2 LYS A 21 1.027 9.652 24.959 1.00 44.14 H new ATOM 0 HG3 LYS A 21 0.099 11.074 24.523 1.00 44.14 H new ATOM 0 HD2 LYS A 21 -0.956 9.727 23.038 1.00 54.11 H new ATOM 0 HD3 LYS A 21 0.483 9.899 22.053 1.00 54.11 H new ATOM 0 HE2 LYS A 21 0.249 7.576 22.173 1.00 53.32 H new ATOM 0 HE3 LYS A 21 1.420 7.891 23.438 1.00 53.32 H new ATOM 0 HZ1 LYS A 21 -0.307 6.394 24.197 1.00 0.53 H new ATOM 0 HZ2 LYS A 21 -0.375 7.847 25.073 1.00 0.53 H new ATOM 0 HZ3 LYS A 21 -1.509 7.541 23.847 1.00 0.53 H new ATOM 325 N LEU A 22 3.877 13.272 22.267 1.00 1.12 N ATOM 326 CA LEU A 22 5.195 13.876 22.109 1.00 42.24 C ATOM 327 C LEU A 22 5.170 15.348 22.510 1.00 3.40 C ATOM 328 O LEU A 22 6.066 15.829 23.205 1.00 21.21 O ATOM 329 CB LEU A 22 5.670 13.739 20.662 1.00 3.25 C ATOM 330 CG LEU A 22 7.175 13.889 20.432 1.00 71.43 C ATOM 331 CD1 LEU A 22 7.920 12.675 20.967 1.00 72.44 C ATOM 332 CD2 LEU A 22 7.471 14.089 18.953 1.00 41.11 C ATOM 0 H LEU A 22 3.457 12.943 21.398 1.00 1.12 H new ATOM 0 HA LEU A 22 5.890 13.351 22.764 1.00 42.24 H new ATOM 0 HB2 LEU A 22 5.362 12.762 20.290 1.00 3.25 H new ATOM 0 HB3 LEU A 22 5.154 14.486 20.059 1.00 3.25 H new ATOM 0 HG LEU A 22 7.520 14.770 20.974 1.00 71.43 H new ATOM 0 HD11 LEU A 22 8.989 12.799 20.795 1.00 72.44 H new ATOM 0 HD12 LEU A 22 7.734 12.576 22.036 1.00 72.44 H new ATOM 0 HD13 LEU A 22 7.571 11.779 20.454 1.00 72.44 H new ATOM 0 HD21 LEU A 22 8.546 14.194 18.808 1.00 41.11 H new ATOM 0 HD22 LEU A 22 7.111 13.228 18.390 1.00 41.11 H new ATOM 0 HD23 LEU A 22 6.968 14.989 18.600 1.00 41.11 H new ATOM 344 N LEU A 23 4.138 16.059 22.068 1.00 75.21 N ATOM 345 CA LEU A 23 3.994 17.477 22.383 1.00 33.14 C ATOM 346 C LEU A 23 4.044 17.707 23.890 1.00 73.45 C ATOM 347 O LEU A 23 4.431 18.780 24.352 1.00 44.03 O ATOM 348 CB LEU A 23 2.680 18.014 21.815 1.00 53.30 C ATOM 349 CG LEU A 23 2.792 18.851 20.541 1.00 60.44 C ATOM 350 CD1 LEU A 23 1.534 18.708 19.697 1.00 12.04 C ATOM 351 CD2 LEU A 23 3.045 20.311 20.881 1.00 51.24 C ATOM 0 H LEU A 23 3.389 15.677 21.491 1.00 75.21 H new ATOM 0 HA LEU A 23 4.825 18.013 21.925 1.00 33.14 H new ATOM 0 HB2 LEU A 23 2.022 17.169 21.614 1.00 53.30 H new ATOM 0 HB3 LEU A 23 2.196 18.619 22.582 1.00 53.30 H new ATOM 0 HG LEU A 23 3.639 18.483 19.961 1.00 60.44 H new ATOM 0 HD11 LEU A 23 1.631 19.311 18.794 1.00 12.04 H new ATOM 0 HD12 LEU A 23 1.397 17.662 19.422 1.00 12.04 H new ATOM 0 HD13 LEU A 23 0.671 19.049 20.269 1.00 12.04 H new ATOM 0 HD21 LEU A 23 3.122 20.891 19.961 1.00 51.24 H new ATOM 0 HD22 LEU A 23 2.220 20.693 21.483 1.00 51.24 H new ATOM 0 HD23 LEU A 23 3.975 20.398 21.443 1.00 51.24 H new ATOM 363 N ASP A 24 3.650 16.693 24.652 1.00 73.41 N ATOM 364 CA ASP A 24 3.652 16.783 26.107 1.00 73.01 C ATOM 365 C ASP A 24 5.066 16.630 26.660 1.00 42.12 C ATOM 366 O ASP A 24 5.430 17.268 27.648 1.00 40.22 O ATOM 367 CB ASP A 24 2.738 15.713 26.708 1.00 52.24 C ATOM 368 CG ASP A 24 2.070 16.176 27.988 1.00 34.44 C ATOM 369 OD1 ASP A 24 1.769 17.382 28.098 1.00 34.41 O ATOM 370 OD2 ASP A 24 1.850 15.329 28.881 1.00 52.32 O ATOM 0 H ASP A 24 3.325 15.798 24.286 1.00 73.41 H new ATOM 0 HA ASP A 24 3.277 17.768 26.385 1.00 73.01 H new ATOM 0 HB2 ASP A 24 1.973 15.441 25.980 1.00 52.24 H new ATOM 0 HB3 ASP A 24 3.320 14.814 26.910 1.00 52.24 H new ATOM 375 N LEU A 25 5.858 15.781 26.016 1.00 65.54 N ATOM 376 CA LEU A 25 7.233 15.542 26.443 1.00 44.34 C ATOM 377 C LEU A 25 8.079 16.801 26.277 1.00 11.32 C ATOM 378 O LEU A 25 8.989 17.058 27.066 1.00 71.42 O ATOM 379 CB LEU A 25 7.844 14.393 25.641 1.00 2.33 C ATOM 380 CG LEU A 25 8.565 13.317 26.453 1.00 31.50 C ATOM 381 CD1 LEU A 25 9.682 13.932 27.283 1.00 64.53 C ATOM 382 CD2 LEU A 25 7.582 12.575 27.347 1.00 45.04 C ATOM 0 H LEU A 25 5.572 15.246 25.196 1.00 65.54 H new ATOM 0 HA LEU A 25 7.219 15.272 27.499 1.00 44.34 H new ATOM 0 HB2 LEU A 25 7.051 13.915 25.066 1.00 2.33 H new ATOM 0 HB3 LEU A 25 8.549 14.812 24.923 1.00 2.33 H new ATOM 0 HG LEU A 25 9.007 12.602 25.759 1.00 31.50 H new ATOM 0 HD11 LEU A 25 10.183 13.151 27.854 1.00 64.53 H new ATOM 0 HD12 LEU A 25 10.401 14.417 26.623 1.00 64.53 H new ATOM 0 HD13 LEU A 25 9.263 14.669 27.968 1.00 64.53 H new ATOM 0 HD21 LEU A 25 8.113 11.813 27.918 1.00 45.04 H new ATOM 0 HD22 LEU A 25 7.111 13.279 28.033 1.00 45.04 H new ATOM 0 HD23 LEU A 25 6.817 12.101 26.732 1.00 45.04 H new ATOM 394 N VAL A 26 7.773 17.583 25.247 1.00 11.34 N ATOM 395 CA VAL A 26 8.504 18.816 24.980 1.00 64.43 C ATOM 396 C VAL A 26 8.259 19.848 26.074 1.00 75.20 C ATOM 397 O VAL A 26 9.202 20.386 26.655 1.00 20.53 O ATOM 398 CB VAL A 26 8.105 19.421 23.620 1.00 54.11 C ATOM 399 CG1 VAL A 26 8.875 20.708 23.362 1.00 34.21 C ATOM 400 CG2 VAL A 26 8.338 18.417 22.501 1.00 74.13 C ATOM 0 H VAL A 26 7.024 17.385 24.584 1.00 11.34 H new ATOM 0 HA VAL A 26 9.563 18.558 24.959 1.00 64.43 H new ATOM 0 HB VAL A 26 7.042 19.660 23.646 1.00 54.11 H new ATOM 0 HG11 VAL A 26 8.580 21.121 22.397 1.00 34.21 H new ATOM 0 HG12 VAL A 26 8.653 21.429 24.149 1.00 34.21 H new ATOM 0 HG13 VAL A 26 9.944 20.497 23.355 1.00 34.21 H new ATOM 0 HG21 VAL A 26 8.051 18.861 21.548 1.00 74.13 H new ATOM 0 HG22 VAL A 26 9.393 18.144 22.471 1.00 74.13 H new ATOM 0 HG23 VAL A 26 7.738 17.525 22.681 1.00 74.13 H new ATOM 410 N GLN A 27 6.988 20.119 26.351 1.00 21.03 N ATOM 411 CA GLN A 27 6.620 21.088 27.377 1.00 33.45 C ATOM 412 C GLN A 27 7.027 20.596 28.762 1.00 32.43 C ATOM 413 O GLN A 27 7.573 21.352 29.564 1.00 4.13 O ATOM 414 CB GLN A 27 5.114 21.353 27.340 1.00 53.54 C ATOM 415 CG GLN A 27 4.654 22.389 28.354 1.00 62.12 C ATOM 416 CD GLN A 27 3.619 21.844 29.318 1.00 1.22 C ATOM 417 OE1 GLN A 27 2.873 20.921 28.989 1.00 50.30 O ATOM 418 NE2 GLN A 27 3.570 22.412 30.517 1.00 0.21 N ATOM 0 H GLN A 27 6.196 19.682 25.880 1.00 21.03 H new ATOM 0 HA GLN A 27 7.151 22.017 27.171 1.00 33.45 H new ATOM 0 HB2 GLN A 27 4.837 21.687 26.340 1.00 53.54 H new ATOM 0 HB3 GLN A 27 4.584 20.418 27.522 1.00 53.54 H new ATOM 0 HG2 GLN A 27 5.516 22.748 28.917 1.00 62.12 H new ATOM 0 HG3 GLN A 27 4.237 23.247 27.827 1.00 62.12 H new ATOM 0 HE21 GLN A 27 4.208 23.174 30.747 1.00 0.21 H new ATOM 0 HE22 GLN A 27 2.895 22.086 31.209 1.00 0.21 H new ATOM 427 N GLN A 28 6.758 19.323 29.035 1.00 30.14 N ATOM 428 CA GLN A 28 7.097 18.730 30.324 1.00 61.30 C ATOM 429 C GLN A 28 8.599 18.794 30.575 1.00 50.21 C ATOM 430 O GLN A 28 9.043 18.908 31.717 1.00 4.30 O ATOM 431 CB GLN A 28 6.619 17.278 30.382 1.00 72.02 C ATOM 432 CG GLN A 28 5.138 17.137 30.691 1.00 71.24 C ATOM 433 CD GLN A 28 4.731 15.700 30.953 1.00 74.44 C ATOM 434 OE1 GLN A 28 5.078 14.795 30.194 1.00 45.42 O ATOM 435 NE2 GLN A 28 3.991 15.483 32.035 1.00 21.42 N ATOM 0 H GLN A 28 6.307 18.683 28.382 1.00 30.14 H new ATOM 0 HA GLN A 28 6.593 19.303 31.103 1.00 61.30 H new ATOM 0 HB2 GLN A 28 6.830 16.796 29.427 1.00 72.02 H new ATOM 0 HB3 GLN A 28 7.192 16.746 31.141 1.00 72.02 H new ATOM 0 HG2 GLN A 28 4.893 17.745 31.562 1.00 71.24 H new ATOM 0 HG3 GLN A 28 4.557 17.529 29.856 1.00 71.24 H new ATOM 0 HE21 GLN A 28 3.726 16.263 32.637 1.00 21.42 H new ATOM 0 HE22 GLN A 28 3.688 14.536 32.264 1.00 21.42 H new ATOM 444 N SER A 29 9.378 18.720 29.500 1.00 23.11 N ATOM 445 CA SER A 29 10.831 18.765 29.604 1.00 11.23 C ATOM 446 C SER A 29 11.280 19.977 30.415 1.00 13.20 C ATOM 447 O SER A 29 12.054 19.850 31.365 1.00 52.05 O ATOM 448 CB SER A 29 11.463 18.808 28.212 1.00 23.35 C ATOM 449 OG SER A 29 12.857 18.567 28.276 1.00 10.50 O ATOM 0 H SER A 29 9.026 18.629 28.547 1.00 23.11 H new ATOM 0 HA SER A 29 11.161 17.862 30.117 1.00 11.23 H new ATOM 0 HB2 SER A 29 10.991 18.062 27.572 1.00 23.35 H new ATOM 0 HB3 SER A 29 11.280 19.781 27.756 1.00 23.35 H new ATOM 0 HG SER A 29 13.272 19.208 28.890 1.00 10.50 H new ATOM 455 N CYS A 30 10.789 21.150 30.034 1.00 43.32 N ATOM 456 CA CYS A 30 11.140 22.388 30.725 1.00 33.35 C ATOM 457 C CYS A 30 10.796 22.298 32.208 1.00 34.11 C ATOM 458 O CYS A 30 11.431 22.940 33.043 1.00 21.12 O ATOM 459 CB CYS A 30 10.413 23.574 30.091 1.00 61.31 C ATOM 460 SG CYS A 30 10.633 23.703 28.301 1.00 62.32 S ATOM 0 H CYS A 30 10.147 21.272 29.251 1.00 43.32 H new ATOM 0 HA CYS A 30 12.215 22.537 30.628 1.00 33.35 H new ATOM 0 HB2 CYS A 30 9.348 23.493 30.311 1.00 61.31 H new ATOM 0 HB3 CYS A 30 10.766 24.494 30.557 1.00 61.31 H new ATOM 0 HG CYS A 30 10.802 24.950 27.973 1.00 62.32 H new ATOM 466 N ASN A 31 9.783 21.498 32.527 1.00 55.34 N ATOM 467 CA ASN A 31 9.353 21.326 33.911 1.00 72.32 C ATOM 468 C ASN A 31 10.337 20.455 34.683 1.00 12.05 C ATOM 469 O ASN A 31 10.347 20.451 35.914 1.00 50.21 O ATOM 470 CB ASN A 31 7.957 20.702 33.958 1.00 63.13 C ATOM 471 CG ASN A 31 6.966 21.433 33.072 1.00 23.41 C ATOM 472 OD1 ASN A 31 7.237 22.535 32.596 1.00 51.53 O ATOM 473 ND2 ASN A 31 5.810 20.820 32.846 1.00 71.34 N ATOM 0 H ASN A 31 9.245 20.960 31.848 1.00 55.34 H new ATOM 0 HA ASN A 31 9.321 22.309 34.380 1.00 72.32 H new ATOM 0 HB2 ASN A 31 8.018 19.659 33.647 1.00 63.13 H new ATOM 0 HB3 ASN A 31 7.594 20.708 34.986 1.00 63.13 H new ATOM 0 HD21 ASN A 31 5.105 21.263 32.257 1.00 71.34 H new ATOM 0 HD22 ASN A 31 5.627 19.906 33.261 1.00 71.34 H new ATOM 480 N TYR A 32 11.166 19.717 33.953 1.00 24.21 N ATOM 481 CA TYR A 32 12.155 18.840 34.568 1.00 32.11 C ATOM 482 C TYR A 32 13.480 19.569 34.769 1.00 64.41 C ATOM 483 O TYR A 32 14.511 18.948 35.028 1.00 34.22 O ATOM 484 CB TYR A 32 12.370 17.595 33.706 1.00 14.14 C ATOM 485 CG TYR A 32 11.564 16.398 34.159 1.00 4.43 C ATOM 486 CD1 TYR A 32 10.236 16.247 33.781 1.00 50.02 C ATOM 487 CD2 TYR A 32 12.132 15.418 34.963 1.00 55.25 C ATOM 488 CE1 TYR A 32 9.496 15.156 34.193 1.00 62.32 C ATOM 489 CE2 TYR A 32 11.400 14.323 35.379 1.00 32.33 C ATOM 490 CZ TYR A 32 10.082 14.196 34.992 1.00 0.02 C ATOM 491 OH TYR A 32 9.350 13.107 35.403 1.00 73.14 O ATOM 0 H TYR A 32 11.172 19.709 32.933 1.00 24.21 H new ATOM 0 HA TYR A 32 11.777 18.537 35.544 1.00 32.11 H new ATOM 0 HB2 TYR A 32 12.109 17.829 32.674 1.00 14.14 H new ATOM 0 HB3 TYR A 32 13.428 17.335 33.716 1.00 14.14 H new ATOM 0 HD1 TYR A 32 9.774 16.995 33.154 1.00 50.02 H new ATOM 0 HD2 TYR A 32 13.164 15.514 35.268 1.00 55.25 H new ATOM 0 HE1 TYR A 32 8.464 15.055 33.891 1.00 62.32 H new ATOM 0 HE2 TYR A 32 11.857 13.570 36.004 1.00 32.33 H new ATOM 0 HH TYR A 32 9.566 12.336 34.838 1.00 73.14 H new ATOM 501 N LYS A 33 13.444 20.892 34.648 1.00 22.22 N ATOM 502 CA LYS A 33 14.640 21.708 34.817 1.00 30.13 C ATOM 503 C LYS A 33 15.675 21.387 33.743 1.00 50.35 C ATOM 504 O LYS A 33 16.847 21.738 33.875 1.00 23.23 O ATOM 505 CB LYS A 33 15.244 21.483 36.205 1.00 2.43 C ATOM 506 CG LYS A 33 14.221 21.522 37.327 1.00 0.15 C ATOM 507 CD LYS A 33 14.720 22.336 38.509 1.00 1.13 C ATOM 508 CE LYS A 33 14.044 21.911 39.804 1.00 24.54 C ATOM 509 NZ LYS A 33 14.425 20.526 40.201 1.00 43.44 N ATOM 0 H LYS A 33 12.599 21.422 34.433 1.00 22.22 H new ATOM 0 HA LYS A 33 14.352 22.755 34.718 1.00 30.13 H new ATOM 0 HB2 LYS A 33 15.750 20.518 36.220 1.00 2.43 H new ATOM 0 HB3 LYS A 33 16.003 22.244 36.390 1.00 2.43 H new ATOM 0 HG2 LYS A 33 13.290 21.950 36.957 1.00 0.15 H new ATOM 0 HG3 LYS A 33 13.998 20.506 37.652 1.00 0.15 H new ATOM 0 HD2 LYS A 33 15.799 22.217 38.605 1.00 1.13 H new ATOM 0 HD3 LYS A 33 14.531 23.394 38.329 1.00 1.13 H new ATOM 0 HE2 LYS A 33 14.316 22.604 40.600 1.00 24.54 H new ATOM 0 HE3 LYS A 33 12.962 21.970 39.685 1.00 24.54 H new ATOM 0 HZ1 LYS A 33 14.317 20.418 41.230 1.00 43.44 H new ATOM 0 HZ2 LYS A 33 13.809 19.844 39.714 1.00 43.44 H new ATOM 0 HZ3 LYS A 33 15.415 20.349 39.936 1.00 43.44 H new ATOM 523 N GLN A 34 15.232 20.722 32.681 1.00 31.10 N ATOM 524 CA GLN A 34 16.120 20.356 31.585 1.00 1.10 C ATOM 525 C GLN A 34 15.414 20.502 30.241 1.00 23.21 C ATOM 526 O GLN A 34 14.279 20.055 30.072 1.00 64.22 O ATOM 527 CB GLN A 34 16.617 18.920 31.760 1.00 32.11 C ATOM 528 CG GLN A 34 18.114 18.763 31.546 1.00 32.31 C ATOM 529 CD GLN A 34 18.587 17.339 31.759 1.00 13.02 C ATOM 530 OE1 GLN A 34 17.869 16.384 31.182 1.00 54.12 O flip ATOM 531 NE2 GLN A 34 19.589 17.101 32.435 1.00 32.44 N flip ATOM 0 H GLN A 34 14.264 20.426 32.557 1.00 31.10 H new ATOM 0 HA GLN A 34 16.974 21.033 31.602 1.00 1.10 H new ATOM 0 HB2 GLN A 34 16.364 18.577 32.763 1.00 32.11 H new ATOM 0 HB3 GLN A 34 16.089 18.274 31.059 1.00 32.11 H new ATOM 0 HG2 GLN A 34 18.368 19.079 30.534 1.00 32.31 H new ATOM 0 HG3 GLN A 34 18.646 19.425 32.229 1.00 32.31 H new ATOM 0 HE21 GLN A 34 20.111 17.867 32.860 1.00 32.44 H new ATOM 0 HE22 GLN A 34 19.897 16.138 32.569 1.00 32.44 H new ATOM 540 N LEU A 35 16.093 21.130 29.287 1.00 62.04 N ATOM 541 CA LEU A 35 15.531 21.335 27.956 1.00 71.13 C ATOM 542 C LEU A 35 16.635 21.559 26.927 1.00 70.04 C ATOM 543 O LEU A 35 17.806 21.697 27.280 1.00 25.51 O ATOM 544 CB LEU A 35 14.575 22.529 27.964 1.00 4.43 C ATOM 545 CG LEU A 35 15.020 23.741 28.784 1.00 35.34 C ATOM 546 CD1 LEU A 35 14.770 23.504 30.266 1.00 24.52 C ATOM 547 CD2 LEU A 35 16.490 24.045 28.532 1.00 34.42 C ATOM 0 H LEU A 35 17.033 21.506 29.410 1.00 62.04 H new ATOM 0 HA LEU A 35 14.979 20.437 27.679 1.00 71.13 H new ATOM 0 HB2 LEU A 35 14.418 22.850 26.934 1.00 4.43 H new ATOM 0 HB3 LEU A 35 13.610 22.193 28.344 1.00 4.43 H new ATOM 0 HG LEU A 35 14.432 24.603 28.470 1.00 35.34 H new ATOM 0 HD11 LEU A 35 15.093 24.377 30.834 1.00 24.52 H new ATOM 0 HD12 LEU A 35 13.706 23.336 30.433 1.00 24.52 H new ATOM 0 HD13 LEU A 35 15.332 22.630 30.594 1.00 24.52 H new ATOM 0 HD21 LEU A 35 16.789 24.910 29.124 1.00 34.42 H new ATOM 0 HD22 LEU A 35 17.094 23.184 28.818 1.00 34.42 H new ATOM 0 HD23 LEU A 35 16.641 24.259 27.474 1.00 34.42 H new ATOM 559 N ARG A 36 16.252 21.596 25.656 1.00 60.50 N ATOM 560 CA ARG A 36 17.209 21.804 24.575 1.00 55.13 C ATOM 561 C ARG A 36 16.494 22.168 23.278 1.00 71.52 C ATOM 562 O ARG A 36 15.730 21.370 22.732 1.00 74.01 O ATOM 563 CB ARG A 36 18.058 20.548 24.368 1.00 60.45 C ATOM 564 CG ARG A 36 19.335 20.799 23.585 1.00 3.34 C ATOM 565 CD ARG A 36 20.251 21.773 24.311 1.00 2.12 C ATOM 566 NE ARG A 36 20.250 23.094 23.689 1.00 12.11 N ATOM 567 CZ ARG A 36 20.633 24.201 24.315 1.00 62.20 C ATOM 568 NH1 ARG A 36 21.046 24.146 25.573 1.00 42.35 N ATOM 569 NH2 ARG A 36 20.602 25.367 23.681 1.00 34.44 N ATOM 0 H ARG A 36 15.286 21.485 25.348 1.00 60.50 H new ATOM 0 HA ARG A 36 17.860 22.632 24.855 1.00 55.13 H new ATOM 0 HB2 ARG A 36 18.315 20.129 25.341 1.00 60.45 H new ATOM 0 HB3 ARG A 36 17.463 19.799 23.845 1.00 60.45 H new ATOM 0 HG2 ARG A 36 19.857 19.856 23.427 1.00 3.34 H new ATOM 0 HG3 ARG A 36 19.087 21.196 22.600 1.00 3.34 H new ATOM 0 HD2 ARG A 36 19.935 21.862 25.350 1.00 2.12 H new ATOM 0 HD3 ARG A 36 21.267 21.377 24.320 1.00 2.12 H new ATOM 0 HE ARG A 36 19.938 23.171 22.721 1.00 12.11 H new ATOM 0 HH11 ARG A 36 21.070 23.252 26.063 1.00 42.35 H new ATOM 0 HH12 ARG A 36 21.340 24.998 26.051 1.00 42.35 H new ATOM 0 HH21 ARG A 36 20.284 25.413 22.713 1.00 34.44 H new ATOM 0 HH22 ARG A 36 20.896 26.217 24.162 1.00 34.44 H new ATOM 583 N LYS A 37 16.745 23.377 22.787 1.00 15.50 N ATOM 584 CA LYS A 37 16.126 23.848 21.554 1.00 33.14 C ATOM 585 C LYS A 37 17.155 24.525 20.654 1.00 21.14 C ATOM 586 O LYS A 37 17.328 25.741 20.699 1.00 1.40 O ATOM 587 CB LYS A 37 14.989 24.820 21.868 1.00 51.41 C ATOM 588 CG LYS A 37 14.072 24.346 22.982 1.00 73.50 C ATOM 589 CD LYS A 37 14.429 24.989 24.312 1.00 23.30 C ATOM 590 CE LYS A 37 14.027 26.455 24.347 1.00 25.11 C ATOM 591 NZ LYS A 37 13.762 26.925 25.735 1.00 20.11 N ATOM 0 H LYS A 37 17.374 24.050 23.225 1.00 15.50 H new ATOM 0 HA LYS A 37 15.720 22.984 21.027 1.00 33.14 H new ATOM 0 HB2 LYS A 37 15.414 25.785 22.145 1.00 51.41 H new ATOM 0 HB3 LYS A 37 14.398 24.978 20.966 1.00 51.41 H new ATOM 0 HG2 LYS A 37 13.039 24.582 22.729 1.00 73.50 H new ATOM 0 HG3 LYS A 37 14.138 23.262 23.072 1.00 73.50 H new ATOM 0 HD2 LYS A 37 13.931 24.455 25.121 1.00 23.30 H new ATOM 0 HD3 LYS A 37 15.502 24.900 24.484 1.00 23.30 H new ATOM 0 HE2 LYS A 37 14.819 27.059 23.904 1.00 25.11 H new ATOM 0 HE3 LYS A 37 13.135 26.602 23.738 1.00 25.11 H new ATOM 0 HZ1 LYS A 37 13.491 27.929 25.716 1.00 20.11 H new ATOM 0 HZ2 LYS A 37 12.989 26.366 26.149 1.00 20.11 H new ATOM 0 HZ3 LYS A 37 14.620 26.809 26.311 1.00 20.11 H new ATOM 605 N GLY A 38 17.835 23.727 19.835 1.00 61.15 N ATOM 606 CA GLY A 38 18.836 24.269 18.935 1.00 35.54 C ATOM 607 C GLY A 38 19.373 23.228 17.972 1.00 22.00 C ATOM 608 O GLY A 38 19.760 22.134 18.383 1.00 21.33 O ATOM 0 H GLY A 38 17.710 22.716 19.779 1.00 61.15 H new ATOM 0 HA2 GLY A 38 18.403 25.094 18.369 1.00 35.54 H new ATOM 0 HA3 GLY A 38 19.660 24.680 19.518 1.00 35.54 H new ATOM 612 N ALA A 39 19.395 23.568 16.687 1.00 33.24 N ATOM 613 CA ALA A 39 19.889 22.654 15.664 1.00 45.24 C ATOM 614 C ALA A 39 21.408 22.536 15.721 1.00 74.41 C ATOM 615 O ALA A 39 21.962 21.453 15.536 1.00 74.02 O ATOM 616 CB ALA A 39 19.446 23.119 14.284 1.00 51.15 C ATOM 0 H ALA A 39 19.077 24.469 16.330 1.00 33.24 H new ATOM 0 HA ALA A 39 19.466 21.668 15.857 1.00 45.24 H new ATOM 0 HB1 ALA A 39 19.821 22.428 13.529 1.00 51.15 H new ATOM 0 HB2 ALA A 39 18.357 23.146 14.241 1.00 51.15 H new ATOM 0 HB3 ALA A 39 19.842 24.116 14.092 1.00 51.15 H new ATOM 622 N ASN A 40 22.076 23.655 15.978 1.00 3.51 N ATOM 623 CA ASN A 40 23.532 23.675 16.058 1.00 50.32 C ATOM 624 C ASN A 40 24.002 23.405 17.484 1.00 52.22 C ATOM 625 O ASN A 40 25.088 22.869 17.699 1.00 4.12 O ATOM 626 CB ASN A 40 24.071 25.025 15.578 1.00 74.11 C ATOM 627 CG ASN A 40 25.301 24.879 14.703 1.00 35.24 C ATOM 628 OD1 ASN A 40 26.315 24.321 15.127 1.00 64.13 O ATOM 629 ND2 ASN A 40 25.217 25.378 13.477 1.00 4.11 N ATOM 0 H ASN A 40 21.633 24.560 16.135 1.00 3.51 H new ATOM 0 HA ASN A 40 23.918 22.886 15.412 1.00 50.32 H new ATOM 0 HB2 ASN A 40 23.292 25.547 15.021 1.00 74.11 H new ATOM 0 HB3 ASN A 40 24.314 25.644 16.442 1.00 74.11 H new ATOM 0 HD21 ASN A 40 26.012 25.308 12.842 1.00 4.11 H new ATOM 0 HD22 ASN A 40 24.357 25.832 13.169 1.00 4.11 H new ATOM 636 N GLU A 41 23.175 23.780 18.455 1.00 11.02 N ATOM 637 CA GLU A 41 23.507 23.578 19.861 1.00 23.34 C ATOM 638 C GLU A 41 23.404 22.103 20.237 1.00 60.21 C ATOM 639 O GLU A 41 24.087 21.635 21.147 1.00 32.12 O ATOM 640 CB GLU A 41 22.580 24.408 20.751 1.00 52.12 C ATOM 641 CG GLU A 41 22.448 25.856 20.310 1.00 4.42 C ATOM 642 CD GLU A 41 22.672 26.835 21.446 1.00 11.44 C ATOM 643 OE1 GLU A 41 23.775 26.819 22.033 1.00 42.23 O ATOM 644 OE2 GLU A 41 21.748 27.617 21.749 1.00 60.32 O ATOM 0 H GLU A 41 22.271 24.225 18.294 1.00 11.02 H new ATOM 0 HA GLU A 41 24.535 23.904 20.016 1.00 23.34 H new ATOM 0 HB2 GLU A 41 21.592 23.948 20.760 1.00 52.12 H new ATOM 0 HB3 GLU A 41 22.953 24.381 21.775 1.00 52.12 H new ATOM 0 HG2 GLU A 41 23.167 26.057 19.515 1.00 4.42 H new ATOM 0 HG3 GLU A 41 21.455 26.015 19.889 1.00 4.42 H new ATOM 651 N ALA A 42 22.545 21.376 19.530 1.00 44.41 N ATOM 652 CA ALA A 42 22.353 19.955 19.788 1.00 21.31 C ATOM 653 C ALA A 42 23.667 19.190 19.657 1.00 42.23 C ATOM 654 O ALA A 42 23.841 18.126 20.252 1.00 41.12 O ATOM 655 CB ALA A 42 21.310 19.381 18.840 1.00 43.12 C ATOM 0 H ALA A 42 21.971 21.749 18.774 1.00 44.41 H new ATOM 0 HA ALA A 42 21.997 19.843 20.812 1.00 21.31 H new ATOM 0 HB1 ALA A 42 21.178 18.319 19.045 1.00 43.12 H new ATOM 0 HB2 ALA A 42 20.362 19.899 18.985 1.00 43.12 H new ATOM 0 HB3 ALA A 42 21.642 19.513 17.810 1.00 43.12 H new ATOM 661 N THR A 43 24.590 19.740 18.873 1.00 53.45 N ATOM 662 CA THR A 43 25.887 19.110 18.663 1.00 61.52 C ATOM 663 C THR A 43 26.602 18.868 19.987 1.00 71.31 C ATOM 664 O THR A 43 27.446 17.978 20.095 1.00 54.52 O ATOM 665 CB THR A 43 26.788 19.968 17.755 1.00 41.14 C ATOM 666 OG1 THR A 43 27.099 21.206 18.403 1.00 52.13 O ATOM 667 CG2 THR A 43 26.107 20.244 16.423 1.00 0.42 C ATOM 0 H THR A 43 24.463 20.620 18.374 1.00 53.45 H new ATOM 0 HA THR A 43 25.698 18.154 18.176 1.00 61.52 H new ATOM 0 HB THR A 43 27.709 19.416 17.567 1.00 41.14 H new ATOM 0 HG1 THR A 43 26.434 21.882 18.154 1.00 52.13 H new ATOM 0 HG21 THR A 43 26.762 20.851 15.798 1.00 0.42 H new ATOM 0 HG22 THR A 43 25.898 19.300 15.919 1.00 0.42 H new ATOM 0 HG23 THR A 43 25.173 20.778 16.596 1.00 0.42 H new ATOM 675 N LYS A 44 26.259 19.665 20.993 1.00 13.11 N ATOM 676 CA LYS A 44 26.867 19.537 22.312 1.00 34.11 C ATOM 677 C LYS A 44 26.272 18.356 23.073 1.00 33.33 C ATOM 678 O LYS A 44 26.997 17.560 23.672 1.00 33.12 O ATOM 679 CB LYS A 44 26.671 20.825 23.115 1.00 20.42 C ATOM 680 CG LYS A 44 27.765 21.854 22.889 1.00 65.31 C ATOM 681 CD LYS A 44 27.310 23.248 23.288 1.00 33.01 C ATOM 682 CE LYS A 44 28.071 24.322 22.528 1.00 44.20 C ATOM 683 NZ LYS A 44 29.124 24.957 23.369 1.00 63.55 N ATOM 0 H LYS A 44 25.563 20.407 20.920 1.00 13.11 H new ATOM 0 HA LYS A 44 27.934 19.360 22.176 1.00 34.11 H new ATOM 0 HB2 LYS A 44 25.709 21.265 22.851 1.00 20.42 H new ATOM 0 HB3 LYS A 44 26.628 20.579 24.176 1.00 20.42 H new ATOM 0 HG2 LYS A 44 28.649 21.580 23.465 1.00 65.31 H new ATOM 0 HG3 LYS A 44 28.056 21.852 21.839 1.00 65.31 H new ATOM 0 HD2 LYS A 44 26.242 23.352 23.095 1.00 33.01 H new ATOM 0 HD3 LYS A 44 27.456 23.387 24.359 1.00 33.01 H new ATOM 0 HE2 LYS A 44 28.530 23.884 21.642 1.00 44.20 H new ATOM 0 HE3 LYS A 44 27.374 25.085 22.182 1.00 44.20 H new ATOM 0 HZ1 LYS A 44 29.620 25.684 22.814 1.00 63.55 H new ATOM 0 HZ2 LYS A 44 28.684 25.398 24.202 1.00 63.55 H new ATOM 0 HZ3 LYS A 44 29.804 24.234 23.679 1.00 63.55 H new ATOM 697 N THR A 45 24.947 18.247 23.046 1.00 21.11 N ATOM 698 CA THR A 45 24.255 17.164 23.733 1.00 61.13 C ATOM 699 C THR A 45 24.833 15.808 23.344 1.00 12.40 C ATOM 700 O THR A 45 25.284 15.046 24.200 1.00 34.31 O ATOM 701 CB THR A 45 22.747 17.174 23.420 1.00 22.31 C ATOM 702 OG1 THR A 45 22.453 18.190 22.455 1.00 41.52 O ATOM 703 CG2 THR A 45 21.934 17.416 24.684 1.00 25.52 C ATOM 0 H THR A 45 24.332 18.896 22.555 1.00 21.11 H new ATOM 0 HA THR A 45 24.399 17.325 24.801 1.00 61.13 H new ATOM 0 HB THR A 45 22.476 16.200 23.014 1.00 22.31 H new ATOM 0 HG1 THR A 45 22.871 17.959 21.599 1.00 41.52 H new ATOM 0 HG21 THR A 45 20.872 17.419 24.439 1.00 25.52 H new ATOM 0 HG22 THR A 45 22.138 16.624 25.405 1.00 25.52 H new ATOM 0 HG23 THR A 45 22.209 18.379 25.115 1.00 25.52 H new ATOM 711 N LEU A 46 24.820 15.513 22.049 1.00 52.11 N ATOM 712 CA LEU A 46 25.345 14.248 21.547 1.00 51.43 C ATOM 713 C LEU A 46 26.794 14.048 21.982 1.00 41.11 C ATOM 714 O LEU A 46 27.220 12.929 22.260 1.00 21.43 O ATOM 715 CB LEU A 46 25.248 14.203 20.021 1.00 53.41 C ATOM 716 CG LEU A 46 26.301 15.005 19.257 1.00 14.35 C ATOM 717 CD1 LEU A 46 27.522 14.145 18.969 1.00 20.14 C ATOM 718 CD2 LEU A 46 25.718 15.556 17.964 1.00 12.14 C ATOM 0 H LEU A 46 24.452 16.133 21.327 1.00 52.11 H new ATOM 0 HA LEU A 46 24.744 13.441 21.967 1.00 51.43 H new ATOM 0 HB2 LEU A 46 25.312 13.162 19.704 1.00 53.41 H new ATOM 0 HB3 LEU A 46 24.262 14.565 19.729 1.00 53.41 H new ATOM 0 HG LEU A 46 26.612 15.845 19.879 1.00 14.35 H new ATOM 0 HD11 LEU A 46 28.261 14.733 18.424 1.00 20.14 H new ATOM 0 HD12 LEU A 46 27.954 13.800 19.908 1.00 20.14 H new ATOM 0 HD13 LEU A 46 27.228 13.285 18.367 1.00 20.14 H new ATOM 0 HD21 LEU A 46 26.482 16.124 17.433 1.00 12.14 H new ATOM 0 HD22 LEU A 46 25.379 14.731 17.337 1.00 12.14 H new ATOM 0 HD23 LEU A 46 24.875 16.208 18.194 1.00 12.14 H new ATOM 730 N ASN A 47 27.545 15.143 22.039 1.00 41.52 N ATOM 731 CA ASN A 47 28.945 15.089 22.442 1.00 12.44 C ATOM 732 C ASN A 47 29.076 14.661 23.901 1.00 60.23 C ATOM 733 O ASN A 47 29.981 13.907 24.259 1.00 21.24 O ATOM 734 CB ASN A 47 29.610 16.452 22.236 1.00 54.14 C ATOM 735 CG ASN A 47 30.820 16.374 21.325 1.00 64.43 C ATOM 736 OD1 ASN A 47 30.688 16.177 20.117 1.00 60.24 O ATOM 737 ND2 ASN A 47 32.006 16.528 21.901 1.00 34.21 N ATOM 0 H ASN A 47 27.207 16.078 21.811 1.00 41.52 H new ATOM 0 HA ASN A 47 29.448 14.349 21.819 1.00 12.44 H new ATOM 0 HB2 ASN A 47 28.884 17.147 21.813 1.00 54.14 H new ATOM 0 HB3 ASN A 47 29.912 16.856 23.202 1.00 54.14 H new ATOM 0 HD21 ASN A 47 32.856 16.485 21.338 1.00 34.21 H new ATOM 0 HD22 ASN A 47 32.068 16.689 22.906 1.00 34.21 H new ATOM 744 N ARG A 48 28.165 15.148 24.738 1.00 3.34 N ATOM 745 CA ARG A 48 28.179 14.817 26.158 1.00 40.41 C ATOM 746 C ARG A 48 27.804 13.355 26.378 1.00 72.24 C ATOM 747 O ARG A 48 28.168 12.755 27.389 1.00 2.44 O ATOM 748 CB ARG A 48 27.214 15.723 26.924 1.00 45.14 C ATOM 749 CG ARG A 48 27.742 17.132 27.139 1.00 2.32 C ATOM 750 CD ARG A 48 27.005 17.838 28.265 1.00 72.44 C ATOM 751 NE ARG A 48 27.918 18.351 29.283 1.00 71.12 N ATOM 752 CZ ARG A 48 28.727 19.387 29.090 1.00 22.23 C ATOM 753 NH1 ARG A 48 28.734 20.017 27.923 1.00 11.14 N ATOM 754 NH2 ARG A 48 29.530 19.794 30.064 1.00 71.22 N ATOM 0 H ARG A 48 27.409 15.772 24.457 1.00 3.34 H new ATOM 0 HA ARG A 48 29.190 14.976 26.533 1.00 40.41 H new ATOM 0 HB2 ARG A 48 26.271 15.777 26.381 1.00 45.14 H new ATOM 0 HB3 ARG A 48 26.998 15.273 27.893 1.00 45.14 H new ATOM 0 HG2 ARG A 48 28.807 17.091 27.369 1.00 2.32 H new ATOM 0 HG3 ARG A 48 27.637 17.706 26.218 1.00 2.32 H new ATOM 0 HD2 ARG A 48 26.421 18.662 27.855 1.00 72.44 H new ATOM 0 HD3 ARG A 48 26.300 17.146 28.726 1.00 72.44 H new ATOM 0 HE ARG A 48 27.935 17.889 30.192 1.00 71.12 H new ATOM 0 HH11 ARG A 48 28.118 19.706 27.172 1.00 11.14 H new ATOM 0 HH12 ARG A 48 29.356 20.812 27.776 1.00 11.14 H new ATOM 0 HH21 ARG A 48 29.527 19.311 30.963 1.00 71.22 H new ATOM 0 HH22 ARG A 48 30.151 20.590 29.914 1.00 71.22 H new ATOM 768 N GLY A 49 27.071 12.786 25.425 1.00 14.31 N ATOM 769 CA GLY A 49 26.658 11.399 25.535 1.00 60.12 C ATOM 770 C GLY A 49 25.491 11.215 26.486 1.00 3.04 C ATOM 771 O GLY A 49 25.481 10.285 27.292 1.00 63.31 O ATOM 0 H GLY A 49 26.756 13.261 24.579 1.00 14.31 H new ATOM 0 HA2 GLY A 49 26.381 11.026 24.549 1.00 60.12 H new ATOM 0 HA3 GLY A 49 27.500 10.798 25.878 1.00 60.12 H new ATOM 775 N ILE A 50 24.508 12.104 26.392 1.00 60.10 N ATOM 776 CA ILE A 50 23.333 12.035 27.251 1.00 61.11 C ATOM 777 C ILE A 50 22.073 12.437 26.492 1.00 20.00 C ATOM 778 O ILE A 50 21.065 12.808 27.094 1.00 3.03 O ATOM 779 CB ILE A 50 23.484 12.942 28.487 1.00 3.43 C ATOM 780 CG1 ILE A 50 24.249 14.216 28.121 1.00 43.13 C ATOM 781 CG2 ILE A 50 24.195 12.196 29.607 1.00 31.01 C ATOM 782 CD1 ILE A 50 23.581 15.029 27.034 1.00 4.23 C ATOM 0 H ILE A 50 24.502 12.880 25.730 1.00 60.10 H new ATOM 0 HA ILE A 50 23.243 10.999 27.579 1.00 61.11 H new ATOM 0 HB ILE A 50 22.491 13.224 28.836 1.00 3.43 H new ATOM 0 HG12 ILE A 50 24.357 14.834 29.012 1.00 43.13 H new ATOM 0 HG13 ILE A 50 25.254 13.946 27.797 1.00 43.13 H new ATOM 0 HG21 ILE A 50 24.294 12.850 30.474 1.00 31.01 H new ATOM 0 HG22 ILE A 50 23.616 11.314 29.882 1.00 31.01 H new ATOM 0 HG23 ILE A 50 25.185 11.889 29.269 1.00 31.01 H new ATOM 0 HD11 ILE A 50 24.177 15.917 26.825 1.00 4.23 H new ATOM 0 HD12 ILE A 50 23.497 14.427 26.129 1.00 4.23 H new ATOM 0 HD13 ILE A 50 22.586 15.329 27.363 1.00 4.23 H new ATOM 794 N SER A 51 22.137 12.359 25.166 1.00 40.43 N ATOM 795 CA SER A 51 21.002 12.717 24.324 1.00 62.45 C ATOM 796 C SER A 51 20.116 11.502 24.063 1.00 64.11 C ATOM 797 O SER A 51 20.582 10.477 23.567 1.00 72.31 O ATOM 798 CB SER A 51 21.488 13.302 22.997 1.00 52.43 C ATOM 799 OG SER A 51 21.863 12.277 22.094 1.00 50.22 O ATOM 0 H SER A 51 22.963 12.051 24.652 1.00 40.43 H new ATOM 0 HA SER A 51 20.414 13.469 24.850 1.00 62.45 H new ATOM 0 HB2 SER A 51 20.700 13.911 22.554 1.00 52.43 H new ATOM 0 HB3 SER A 51 22.337 13.962 23.176 1.00 52.43 H new ATOM 0 HG SER A 51 21.644 11.404 22.481 1.00 50.22 H new ATOM 805 N GLU A 52 18.835 11.628 24.399 1.00 4.23 N ATOM 806 CA GLU A 52 17.885 10.541 24.201 1.00 20.20 C ATOM 807 C GLU A 52 17.355 10.535 22.770 1.00 35.00 C ATOM 808 O GLU A 52 17.305 9.491 22.119 1.00 61.13 O ATOM 809 CB GLU A 52 16.721 10.665 25.187 1.00 14.24 C ATOM 810 CG GLU A 52 17.162 10.912 26.621 1.00 23.32 C ATOM 811 CD GLU A 52 17.862 9.713 27.231 1.00 64.12 C ATOM 812 OE1 GLU A 52 19.096 9.603 27.070 1.00 53.04 O ATOM 813 OE2 GLU A 52 17.177 8.886 27.867 1.00 62.03 O ATOM 0 H GLU A 52 18.433 12.471 24.809 1.00 4.23 H new ATOM 0 HA GLU A 52 18.406 9.601 24.381 1.00 20.20 H new ATOM 0 HB2 GLU A 52 16.072 11.481 24.869 1.00 14.24 H new ATOM 0 HB3 GLU A 52 16.126 9.752 25.151 1.00 14.24 H new ATOM 0 HG2 GLU A 52 17.832 11.772 26.648 1.00 23.32 H new ATOM 0 HG3 GLU A 52 16.292 11.167 27.226 1.00 23.32 H new ATOM 820 N PHE A 53 16.959 11.708 22.287 1.00 50.33 N ATOM 821 CA PHE A 53 16.431 11.839 20.935 1.00 23.21 C ATOM 822 C PHE A 53 16.158 13.302 20.597 1.00 24.20 C ATOM 823 O PHE A 53 16.020 14.140 21.488 1.00 61.21 O ATOM 824 CB PHE A 53 15.147 11.021 20.783 1.00 75.51 C ATOM 825 CG PHE A 53 14.049 11.451 21.713 1.00 45.24 C ATOM 826 CD1 PHE A 53 14.034 11.030 23.033 1.00 2.12 C ATOM 827 CD2 PHE A 53 13.030 12.278 21.266 1.00 12.54 C ATOM 828 CE1 PHE A 53 13.026 11.426 23.891 1.00 63.54 C ATOM 829 CE2 PHE A 53 12.019 12.678 22.120 1.00 35.23 C ATOM 830 CZ PHE A 53 12.016 12.250 23.433 1.00 74.32 C ATOM 0 H PHE A 53 16.994 12.582 22.812 1.00 50.33 H new ATOM 0 HA PHE A 53 17.180 11.457 20.242 1.00 23.21 H new ATOM 0 HB2 PHE A 53 14.794 11.102 19.755 1.00 75.51 H new ATOM 0 HB3 PHE A 53 15.372 9.970 20.961 1.00 75.51 H new ATOM 0 HD1 PHE A 53 14.820 10.384 23.396 1.00 2.12 H new ATOM 0 HD2 PHE A 53 13.026 12.613 20.239 1.00 12.54 H new ATOM 0 HE1 PHE A 53 13.028 11.092 24.918 1.00 63.54 H new ATOM 0 HE2 PHE A 53 11.232 13.325 21.761 1.00 35.23 H new ATOM 0 HZ PHE A 53 11.225 12.559 24.101 1.00 74.32 H new ATOM 840 N ILE A 54 16.081 13.600 19.304 1.00 53.34 N ATOM 841 CA ILE A 54 15.824 14.960 18.848 1.00 61.03 C ATOM 842 C ILE A 54 14.553 15.028 18.008 1.00 34.15 C ATOM 843 O ILE A 54 14.360 14.230 17.089 1.00 12.51 O ATOM 844 CB ILE A 54 17.002 15.510 18.022 1.00 33.32 C ATOM 845 CG1 ILE A 54 18.319 15.308 18.775 1.00 72.22 C ATOM 846 CG2 ILE A 54 16.787 16.982 17.707 1.00 71.33 C ATOM 847 CD1 ILE A 54 19.538 15.719 17.979 1.00 14.31 C ATOM 0 H ILE A 54 16.193 12.918 18.554 1.00 53.34 H new ATOM 0 HA ILE A 54 15.700 15.573 19.741 1.00 61.03 H new ATOM 0 HB ILE A 54 17.054 14.961 17.082 1.00 33.32 H new ATOM 0 HG12 ILE A 54 18.290 15.881 19.702 1.00 72.22 H new ATOM 0 HG13 ILE A 54 18.413 14.258 19.052 1.00 72.22 H new ATOM 0 HG21 ILE A 54 17.628 17.356 17.123 1.00 71.33 H new ATOM 0 HG22 ILE A 54 15.867 17.101 17.135 1.00 71.33 H new ATOM 0 HG23 ILE A 54 16.712 17.546 18.637 1.00 71.33 H new ATOM 0 HD11 ILE A 54 20.435 15.549 18.574 1.00 14.31 H new ATOM 0 HD12 ILE A 54 19.591 15.128 17.064 1.00 14.31 H new ATOM 0 HD13 ILE A 54 19.467 16.776 17.724 1.00 14.31 H new ATOM 859 N VAL A 55 13.689 15.986 18.327 1.00 23.03 N ATOM 860 CA VAL A 55 12.438 16.160 17.600 1.00 43.31 C ATOM 861 C VAL A 55 12.473 17.418 16.738 1.00 74.11 C ATOM 862 O VAL A 55 12.752 18.511 17.229 1.00 61.24 O ATOM 863 CB VAL A 55 11.237 16.244 18.561 1.00 12.02 C ATOM 864 CG1 VAL A 55 9.929 16.236 17.783 1.00 54.12 C ATOM 865 CG2 VAL A 55 11.278 15.100 19.564 1.00 43.54 C ATOM 0 H VAL A 55 13.833 16.654 19.085 1.00 23.03 H new ATOM 0 HA VAL A 55 12.321 15.286 16.959 1.00 43.31 H new ATOM 0 HB VAL A 55 11.298 17.183 19.112 1.00 12.02 H new ATOM 0 HG11 VAL A 55 9.092 16.296 18.478 1.00 54.12 H new ATOM 0 HG12 VAL A 55 9.902 17.091 17.108 1.00 54.12 H new ATOM 0 HG13 VAL A 55 9.855 15.315 17.205 1.00 54.12 H new ATOM 0 HG21 VAL A 55 10.423 15.174 20.236 1.00 43.54 H new ATOM 0 HG22 VAL A 55 11.241 14.149 19.033 1.00 43.54 H new ATOM 0 HG23 VAL A 55 12.200 15.157 20.143 1.00 43.54 H new ATOM 875 N MET A 56 12.189 17.254 15.451 1.00 61.40 N ATOM 876 CA MET A 56 12.186 18.377 14.520 1.00 15.12 C ATOM 877 C MET A 56 10.962 18.327 13.611 1.00 13.41 C ATOM 878 O MET A 56 10.543 17.255 13.177 1.00 62.40 O ATOM 879 CB MET A 56 13.462 18.371 13.676 1.00 12.51 C ATOM 880 CG MET A 56 14.725 18.124 14.487 1.00 72.35 C ATOM 881 SD MET A 56 15.197 16.384 14.525 1.00 64.10 S ATOM 882 CE MET A 56 16.980 16.514 14.419 1.00 3.11 C ATOM 0 H MET A 56 11.958 16.355 15.028 1.00 61.40 H new ATOM 0 HA MET A 56 12.148 19.298 15.102 1.00 15.12 H new ATOM 0 HB2 MET A 56 13.377 17.602 12.908 1.00 12.51 H new ATOM 0 HB3 MET A 56 13.552 19.327 13.161 1.00 12.51 H new ATOM 0 HG2 MET A 56 15.543 18.709 14.066 1.00 72.35 H new ATOM 0 HG3 MET A 56 14.572 18.477 15.507 1.00 72.35 H new ATOM 0 HE1 MET A 56 17.438 15.734 15.027 1.00 3.11 H new ATOM 0 HE2 MET A 56 17.292 16.395 13.381 1.00 3.11 H new ATOM 0 HE3 MET A 56 17.296 17.491 14.784 1.00 3.11 H new ATOM 892 N ALA A 57 10.393 19.494 13.328 1.00 45.43 N ATOM 893 CA ALA A 57 9.218 19.583 12.469 1.00 50.21 C ATOM 894 C ALA A 57 9.564 19.224 11.028 1.00 43.14 C ATOM 895 O ALA A 57 10.579 19.669 10.494 1.00 3.32 O ATOM 896 CB ALA A 57 8.618 20.980 12.539 1.00 23.33 C ATOM 0 H ALA A 57 10.726 20.391 13.681 1.00 45.43 H new ATOM 0 HA ALA A 57 8.480 18.865 12.827 1.00 50.21 H new ATOM 0 HB1 ALA A 57 7.742 21.032 11.893 1.00 23.33 H new ATOM 0 HB2 ALA A 57 8.326 21.199 13.566 1.00 23.33 H new ATOM 0 HB3 ALA A 57 9.357 21.710 12.208 1.00 23.33 H new ATOM 902 N ALA A 58 8.712 18.417 10.404 1.00 65.10 N ATOM 903 CA ALA A 58 8.926 18.001 9.024 1.00 31.30 C ATOM 904 C ALA A 58 9.039 19.206 8.097 1.00 73.03 C ATOM 905 O ALA A 58 9.651 19.128 7.033 1.00 0.04 O ATOM 906 CB ALA A 58 7.799 17.085 8.568 1.00 13.13 C ATOM 0 H ALA A 58 7.867 18.039 10.833 1.00 65.10 H new ATOM 0 HA ALA A 58 9.867 17.452 8.978 1.00 31.30 H new ATOM 0 HB1 ALA A 58 7.972 16.782 7.535 1.00 13.13 H new ATOM 0 HB2 ALA A 58 7.768 16.201 9.205 1.00 13.13 H new ATOM 0 HB3 ALA A 58 6.849 17.615 8.636 1.00 13.13 H new ATOM 912 N ASP A 59 8.442 20.320 8.508 1.00 33.21 N ATOM 913 CA ASP A 59 8.475 21.543 7.715 1.00 22.14 C ATOM 914 C ASP A 59 9.122 22.681 8.497 1.00 72.23 C ATOM 915 O ASP A 59 8.728 23.839 8.368 1.00 63.45 O ATOM 916 CB ASP A 59 7.060 21.939 7.290 1.00 2.12 C ATOM 917 CG ASP A 59 7.057 22.979 6.186 1.00 50.13 C ATOM 918 OD1 ASP A 59 7.720 22.749 5.152 1.00 54.25 O ATOM 919 OD2 ASP A 59 6.392 24.021 6.357 1.00 25.12 O ATOM 0 H ASP A 59 7.929 20.401 9.386 1.00 33.21 H new ATOM 0 HA ASP A 59 9.074 21.353 6.824 1.00 22.14 H new ATOM 0 HB2 ASP A 59 6.524 21.052 6.952 1.00 2.12 H new ATOM 0 HB3 ASP A 59 6.520 22.328 8.153 1.00 2.12 H new ATOM 924 N ALA A 60 10.117 22.342 9.310 1.00 53.52 N ATOM 925 CA ALA A 60 10.819 23.336 10.113 1.00 14.14 C ATOM 926 C ALA A 60 12.152 23.715 9.476 1.00 32.23 C ATOM 927 O ALA A 60 12.931 22.846 9.084 1.00 12.20 O ATOM 928 CB ALA A 60 11.036 22.815 11.526 1.00 15.51 C ATOM 0 H ALA A 60 10.455 21.387 9.430 1.00 53.52 H new ATOM 0 HA ALA A 60 10.201 24.232 10.159 1.00 14.14 H new ATOM 0 HB1 ALA A 60 11.561 23.567 12.115 1.00 15.51 H new ATOM 0 HB2 ALA A 60 10.072 22.602 11.987 1.00 15.51 H new ATOM 0 HB3 ALA A 60 11.631 21.902 11.490 1.00 15.51 H new ATOM 934 N GLU A 61 12.408 25.015 9.377 1.00 63.23 N ATOM 935 CA GLU A 61 13.646 25.507 8.785 1.00 31.02 C ATOM 936 C GLU A 61 14.317 26.529 9.699 1.00 40.23 C ATOM 937 O GLU A 61 13.693 27.106 10.590 1.00 35.04 O ATOM 938 CB GLU A 61 13.371 26.133 7.416 1.00 31.13 C ATOM 939 CG GLU A 61 13.542 25.164 6.259 1.00 62.44 C ATOM 940 CD GLU A 61 14.575 25.632 5.253 1.00 22.13 C ATOM 941 OE1 GLU A 61 14.325 26.650 4.574 1.00 54.15 O ATOM 942 OE2 GLU A 61 15.634 24.979 5.145 1.00 4.42 O ATOM 0 H GLU A 61 11.775 25.747 9.699 1.00 63.23 H new ATOM 0 HA GLU A 61 14.320 24.660 8.659 1.00 31.02 H new ATOM 0 HB2 GLU A 61 12.354 26.526 7.403 1.00 31.13 H new ATOM 0 HB3 GLU A 61 14.042 26.980 7.272 1.00 31.13 H new ATOM 0 HG2 GLU A 61 13.835 24.189 6.647 1.00 62.44 H new ATOM 0 HG3 GLU A 61 12.584 25.032 5.756 1.00 62.44 H new ATOM 949 N PRO A 62 15.619 26.760 9.473 1.00 61.22 N ATOM 950 CA PRO A 62 16.371 26.079 8.415 1.00 25.13 C ATOM 951 C PRO A 62 16.585 24.600 8.714 1.00 31.21 C ATOM 952 O PRO A 62 16.876 24.221 9.850 1.00 43.14 O ATOM 953 CB PRO A 62 17.710 26.821 8.399 1.00 23.41 C ATOM 954 CG PRO A 62 17.851 27.378 9.773 1.00 14.30 C ATOM 955 CD PRO A 62 16.457 27.702 10.233 1.00 74.13 C ATOM 0 HA PRO A 62 15.843 26.101 7.461 1.00 25.13 H new ATOM 0 HB2 PRO A 62 18.533 26.148 8.158 1.00 23.41 H new ATOM 0 HB3 PRO A 62 17.715 27.612 7.649 1.00 23.41 H new ATOM 0 HG2 PRO A 62 18.324 26.657 10.440 1.00 14.30 H new ATOM 0 HG3 PRO A 62 18.478 28.269 9.770 1.00 14.30 H new ATOM 0 HD2 PRO A 62 16.346 27.561 11.308 1.00 74.13 H new ATOM 0 HD3 PRO A 62 16.194 28.738 10.018 1.00 74.13 H new ATOM 963 N LEU A 63 16.439 23.766 7.690 1.00 43.11 N ATOM 964 CA LEU A 63 16.617 22.326 7.844 1.00 0.34 C ATOM 965 C LEU A 63 18.075 21.932 7.628 1.00 35.03 C ATOM 966 O LEU A 63 18.540 20.926 8.164 1.00 4.44 O ATOM 967 CB LEU A 63 15.722 21.574 6.858 1.00 43.11 C ATOM 968 CG LEU A 63 15.071 20.294 7.384 1.00 12.23 C ATOM 969 CD1 LEU A 63 13.567 20.333 7.169 1.00 34.12 C ATOM 970 CD2 LEU A 63 15.678 19.072 6.710 1.00 65.42 C ATOM 0 H LEU A 63 16.198 24.062 6.744 1.00 43.11 H new ATOM 0 HA LEU A 63 16.334 22.056 8.861 1.00 0.34 H new ATOM 0 HB2 LEU A 63 14.933 22.249 6.526 1.00 43.11 H new ATOM 0 HB3 LEU A 63 16.315 21.321 5.979 1.00 43.11 H new ATOM 0 HG LEU A 63 15.261 20.225 8.455 1.00 12.23 H new ATOM 0 HD11 LEU A 63 13.121 19.414 7.549 1.00 34.12 H new ATOM 0 HD12 LEU A 63 13.146 21.187 7.699 1.00 34.12 H new ATOM 0 HD13 LEU A 63 13.354 20.426 6.104 1.00 34.12 H new ATOM 0 HD21 LEU A 63 15.203 18.170 7.096 1.00 65.42 H new ATOM 0 HD22 LEU A 63 15.519 19.134 5.633 1.00 65.42 H new ATOM 0 HD23 LEU A 63 16.748 19.036 6.917 1.00 65.42 H new ATOM 982 N GLU A 64 18.790 22.732 6.843 1.00 53.54 N ATOM 983 CA GLU A 64 20.195 22.466 6.560 1.00 0.34 C ATOM 984 C GLU A 64 20.990 22.305 7.853 1.00 42.23 C ATOM 985 O GLU A 64 21.752 21.351 8.010 1.00 24.23 O ATOM 986 CB GLU A 64 20.791 23.597 5.719 1.00 13.40 C ATOM 987 CG GLU A 64 20.334 23.583 4.270 1.00 51.23 C ATOM 988 CD GLU A 64 19.200 24.556 4.007 1.00 32.32 C ATOM 989 OE1 GLU A 64 18.383 24.776 4.926 1.00 32.03 O ATOM 990 OE2 GLU A 64 19.129 25.095 2.884 1.00 62.20 O ATOM 0 H GLU A 64 18.420 23.569 6.392 1.00 53.54 H new ATOM 0 HA GLU A 64 20.256 21.534 5.998 1.00 0.34 H new ATOM 0 HB2 GLU A 64 20.521 24.553 6.167 1.00 13.40 H new ATOM 0 HB3 GLU A 64 21.878 23.527 5.749 1.00 13.40 H new ATOM 0 HG2 GLU A 64 21.177 23.830 3.625 1.00 51.23 H new ATOM 0 HG3 GLU A 64 20.013 22.576 4.004 1.00 51.23 H new ATOM 997 N ILE A 65 20.807 23.245 8.774 1.00 23.04 N ATOM 998 CA ILE A 65 21.506 23.208 10.052 1.00 74.21 C ATOM 999 C ILE A 65 21.316 21.862 10.743 1.00 41.10 C ATOM 1000 O ILE A 65 22.270 21.277 11.258 1.00 51.41 O ATOM 1001 CB ILE A 65 21.022 24.327 10.992 1.00 40.34 C ATOM 1002 CG1 ILE A 65 21.233 25.696 10.341 1.00 1.23 C ATOM 1003 CG2 ILE A 65 21.749 24.251 12.326 1.00 25.22 C ATOM 1004 CD1 ILE A 65 20.769 26.851 11.200 1.00 5.20 C ATOM 0 H ILE A 65 20.180 24.042 8.659 1.00 23.04 H new ATOM 0 HA ILE A 65 22.564 23.358 9.837 1.00 74.21 H new ATOM 0 HB ILE A 65 19.956 24.192 11.174 1.00 40.34 H new ATOM 0 HG12 ILE A 65 22.292 25.823 10.116 1.00 1.23 H new ATOM 0 HG13 ILE A 65 20.700 25.723 9.391 1.00 1.23 H new ATOM 0 HG21 ILE A 65 21.395 25.049 12.979 1.00 25.22 H new ATOM 0 HG22 ILE A 65 21.552 23.286 12.793 1.00 25.22 H new ATOM 0 HG23 ILE A 65 22.821 24.364 12.163 1.00 25.22 H new ATOM 0 HD11 ILE A 65 20.949 27.790 10.676 1.00 5.20 H new ATOM 0 HD12 ILE A 65 19.703 26.748 11.404 1.00 5.20 H new ATOM 0 HD13 ILE A 65 21.320 26.849 12.141 1.00 5.20 H new ATOM 1016 N ILE A 66 20.080 21.375 10.749 1.00 75.43 N ATOM 1017 CA ILE A 66 19.766 20.096 11.374 1.00 53.22 C ATOM 1018 C ILE A 66 20.520 18.955 10.701 1.00 3.20 C ATOM 1019 O ILE A 66 20.753 17.909 11.306 1.00 35.25 O ATOM 1020 CB ILE A 66 18.255 19.800 11.321 1.00 52.11 C ATOM 1021 CG1 ILE A 66 17.464 20.956 11.937 1.00 50.41 C ATOM 1022 CG2 ILE A 66 17.946 18.497 12.041 1.00 34.21 C ATOM 1023 CD1 ILE A 66 15.968 20.831 11.753 1.00 23.13 C ATOM 0 H ILE A 66 19.280 21.847 10.328 1.00 75.43 H new ATOM 0 HA ILE A 66 20.078 20.169 12.416 1.00 53.22 H new ATOM 0 HB ILE A 66 17.956 19.696 10.278 1.00 52.11 H new ATOM 0 HG12 ILE A 66 17.687 21.011 13.002 1.00 50.41 H new ATOM 0 HG13 ILE A 66 17.800 21.893 11.492 1.00 50.41 H new ATOM 0 HG21 ILE A 66 16.875 18.301 11.995 1.00 34.21 H new ATOM 0 HG22 ILE A 66 18.485 17.680 11.562 1.00 34.21 H new ATOM 0 HG23 ILE A 66 18.256 18.575 13.083 1.00 34.21 H new ATOM 0 HD11 ILE A 66 15.472 21.685 12.215 1.00 23.13 H new ATOM 0 HD12 ILE A 66 15.733 20.807 10.689 1.00 23.13 H new ATOM 0 HD13 ILE A 66 15.619 19.911 12.223 1.00 23.13 H new ATOM 1035 N LEU A 67 20.901 19.164 9.445 1.00 54.42 N ATOM 1036 CA LEU A 67 21.632 18.154 8.689 1.00 12.42 C ATOM 1037 C LEU A 67 23.076 18.051 9.171 1.00 41.21 C ATOM 1038 O LEU A 67 23.770 17.076 8.881 1.00 12.51 O ATOM 1039 CB LEU A 67 21.603 18.486 7.196 1.00 72.11 C ATOM 1040 CG LEU A 67 21.466 17.295 6.246 1.00 51.23 C ATOM 1041 CD1 LEU A 67 20.344 17.536 5.249 1.00 61.53 C ATOM 1042 CD2 LEU A 67 22.779 17.036 5.523 1.00 1.41 C ATOM 0 H LEU A 67 20.715 20.024 8.929 1.00 54.42 H new ATOM 0 HA LEU A 67 21.145 17.192 8.851 1.00 12.42 H new ATOM 0 HB2 LEU A 67 20.774 19.169 7.012 1.00 72.11 H new ATOM 0 HB3 LEU A 67 22.519 19.022 6.945 1.00 72.11 H new ATOM 0 HG LEU A 67 21.219 16.411 6.834 1.00 51.23 H new ATOM 0 HD11 LEU A 67 20.261 16.679 4.581 1.00 61.53 H new ATOM 0 HD12 LEU A 67 19.404 17.672 5.784 1.00 61.53 H new ATOM 0 HD13 LEU A 67 20.562 18.431 4.666 1.00 61.53 H new ATOM 0 HD21 LEU A 67 22.663 16.185 4.851 1.00 1.41 H new ATOM 0 HD22 LEU A 67 23.057 17.918 4.946 1.00 1.41 H new ATOM 0 HD23 LEU A 67 23.559 16.819 6.252 1.00 1.41 H new ATOM 1054 N HIS A 68 23.521 19.063 9.910 1.00 35.12 N ATOM 1055 CA HIS A 68 24.882 19.085 10.435 1.00 71.54 C ATOM 1056 C HIS A 68 25.016 18.152 11.636 1.00 23.00 C ATOM 1057 O HIS A 68 26.105 17.656 11.931 1.00 64.34 O ATOM 1058 CB HIS A 68 25.274 20.507 10.834 1.00 44.53 C ATOM 1059 CG HIS A 68 26.733 20.665 11.132 1.00 51.43 C ATOM 1060 ND1 HIS A 68 27.212 21.043 12.370 1.00 62.35 N ATOM 1061 CD2 HIS A 68 27.821 20.492 10.347 1.00 30.45 C ATOM 1062 CE1 HIS A 68 28.530 21.097 12.331 1.00 54.32 C ATOM 1063 NE2 HIS A 68 28.926 20.767 11.115 1.00 71.52 N ATOM 0 H HIS A 68 22.960 19.878 10.158 1.00 35.12 H new ATOM 0 HA HIS A 68 25.554 18.738 9.650 1.00 71.54 H new ATOM 0 HB2 HIS A 68 25.000 21.190 10.030 1.00 44.53 H new ATOM 0 HB3 HIS A 68 24.698 20.801 11.712 1.00 44.53 H new ATOM 0 HD2 HIS A 68 27.821 20.193 9.309 1.00 30.45 H new ATOM 0 HE1 HIS A 68 29.176 21.366 13.154 1.00 54.32 H new ATOM 0 HE2 HIS A 68 29.894 20.723 10.798 1.00 71.52 H new ATOM 1071 N LEU A 69 23.904 17.919 12.325 1.00 24.12 N ATOM 1072 CA LEU A 69 23.898 17.046 13.493 1.00 53.11 C ATOM 1073 C LEU A 69 24.535 15.699 13.171 1.00 21.14 C ATOM 1074 O LEU A 69 25.528 15.292 13.775 1.00 55.41 O ATOM 1075 CB LEU A 69 22.466 16.840 13.993 1.00 5.24 C ATOM 1076 CG LEU A 69 22.054 17.669 15.209 1.00 55.22 C ATOM 1077 CD1 LEU A 69 20.596 18.088 15.100 1.00 72.43 C ATOM 1078 CD2 LEU A 69 22.292 16.888 16.493 1.00 40.21 C ATOM 0 H LEU A 69 22.996 18.322 12.095 1.00 24.12 H new ATOM 0 HA LEU A 69 24.485 17.525 14.276 1.00 53.11 H new ATOM 0 HB2 LEU A 69 21.781 17.066 13.176 1.00 5.24 H new ATOM 0 HB3 LEU A 69 22.336 15.786 14.236 1.00 5.24 H new ATOM 0 HG LEU A 69 22.668 18.569 15.236 1.00 55.22 H new ATOM 0 HD11 LEU A 69 20.320 18.677 15.975 1.00 72.43 H new ATOM 0 HD12 LEU A 69 20.456 18.687 14.200 1.00 72.43 H new ATOM 0 HD13 LEU A 69 19.965 17.201 15.047 1.00 72.43 H new ATOM 0 HD21 LEU A 69 21.993 17.494 17.348 1.00 40.21 H new ATOM 0 HD22 LEU A 69 21.704 15.970 16.475 1.00 40.21 H new ATOM 0 HD23 LEU A 69 23.350 16.639 16.577 1.00 40.21 H new ATOM 1090 N PRO A 70 23.953 14.987 12.193 1.00 54.24 N ATOM 1091 CA PRO A 70 24.449 13.676 11.766 1.00 10.31 C ATOM 1092 C PRO A 70 25.785 13.771 11.036 1.00 72.20 C ATOM 1093 O PRO A 70 25.848 14.228 9.893 1.00 54.32 O ATOM 1094 CB PRO A 70 23.356 13.175 10.818 1.00 33.02 C ATOM 1095 CG PRO A 70 22.703 14.412 10.306 1.00 40.35 C ATOM 1096 CD PRO A 70 22.767 15.409 11.429 1.00 53.23 C ATOM 0 HA PRO A 70 24.634 13.015 12.613 1.00 10.31 H new ATOM 0 HB2 PRO A 70 23.778 12.584 10.005 1.00 33.02 H new ATOM 0 HB3 PRO A 70 22.642 12.537 11.339 1.00 33.02 H new ATOM 0 HG2 PRO A 70 23.217 14.787 9.421 1.00 40.35 H new ATOM 0 HG3 PRO A 70 21.671 14.217 10.016 1.00 40.35 H new ATOM 0 HD2 PRO A 70 22.871 16.428 11.056 1.00 53.23 H new ATOM 0 HD3 PRO A 70 21.865 15.384 12.041 1.00 53.23 H new ATOM 1232 N PRO A 79 20.026 10.417 16.647 1.00 14.15 N ATOM 1233 CA PRO A 79 18.582 10.174 16.597 1.00 63.22 C ATOM 1234 C PRO A 79 17.883 11.059 15.570 1.00 70.04 C ATOM 1235 O PRO A 79 18.516 11.885 14.913 1.00 11.32 O ATOM 1236 CB PRO A 79 18.113 10.524 18.011 1.00 41.32 C ATOM 1237 CG PRO A 79 19.129 11.487 18.520 1.00 12.34 C ATOM 1238 CD PRO A 79 20.436 11.077 17.899 1.00 1.35 C ATOM 0 HA PRO A 79 18.350 9.152 16.298 1.00 63.22 H new ATOM 0 HB2 PRO A 79 17.118 10.968 17.999 1.00 41.32 H new ATOM 0 HB3 PRO A 79 18.059 9.636 18.641 1.00 41.32 H new ATOM 0 HG2 PRO A 79 18.870 12.509 18.245 1.00 12.34 H new ATOM 0 HG3 PRO A 79 19.187 11.455 19.608 1.00 12.34 H new ATOM 0 HD2 PRO A 79 21.078 11.937 17.708 1.00 1.35 H new ATOM 0 HD3 PRO A 79 20.994 10.400 18.546 1.00 1.35 H new ATOM 1246 N TYR A 80 16.573 10.880 15.437 1.00 42.02 N ATOM 1247 CA TYR A 80 15.787 11.661 14.488 1.00 21.24 C ATOM 1248 C TYR A 80 14.314 11.271 14.550 1.00 64.44 C ATOM 1249 O TYR A 80 13.971 10.155 14.939 1.00 33.11 O ATOM 1250 CB TYR A 80 16.320 11.462 13.067 1.00 13.11 C ATOM 1251 CG TYR A 80 16.377 12.738 12.259 1.00 21.12 C ATOM 1252 CD1 TYR A 80 15.220 13.312 11.746 1.00 73.43 C ATOM 1253 CD2 TYR A 80 17.588 13.370 12.005 1.00 55.42 C ATOM 1254 CE1 TYR A 80 15.266 14.477 11.006 1.00 1.43 C ATOM 1255 CE2 TYR A 80 17.645 14.537 11.268 1.00 40.22 C ATOM 1256 CZ TYR A 80 16.481 15.086 10.770 1.00 11.43 C ATOM 1257 OH TYR A 80 16.534 16.247 10.033 1.00 43.24 O ATOM 0 H TYR A 80 16.033 10.201 15.974 1.00 42.02 H new ATOM 0 HA TYR A 80 15.877 12.713 14.759 1.00 21.24 H new ATOM 0 HB2 TYR A 80 17.319 11.030 13.120 1.00 13.11 H new ATOM 0 HB3 TYR A 80 15.688 10.741 12.548 1.00 13.11 H new ATOM 0 HD1 TYR A 80 14.267 12.838 11.930 1.00 73.43 H new ATOM 0 HD2 TYR A 80 18.501 12.941 12.391 1.00 55.42 H new ATOM 0 HE1 TYR A 80 14.357 14.909 10.615 1.00 1.43 H new ATOM 0 HE2 TYR A 80 18.595 15.017 11.083 1.00 40.22 H new ATOM 0 HH TYR A 80 17.464 16.546 9.961 1.00 43.24 H new ATOM 1267 N VAL A 81 13.446 12.200 14.162 1.00 22.14 N ATOM 1268 CA VAL A 81 12.009 11.954 14.170 1.00 62.43 C ATOM 1269 C VAL A 81 11.243 13.153 13.619 1.00 33.41 C ATOM 1270 O VAL A 81 11.529 14.299 13.965 1.00 34.34 O ATOM 1271 CB VAL A 81 11.501 11.644 15.590 1.00 75.05 C ATOM 1272 CG1 VAL A 81 11.864 12.771 16.546 1.00 10.21 C ATOM 1273 CG2 VAL A 81 9.998 11.409 15.579 1.00 34.13 C ATOM 0 H VAL A 81 13.713 13.130 13.838 1.00 22.14 H new ATOM 0 HA VAL A 81 11.832 11.088 13.531 1.00 62.43 H new ATOM 0 HB VAL A 81 11.987 10.733 15.939 1.00 75.05 H new ATOM 0 HG11 VAL A 81 11.497 12.534 17.544 1.00 10.21 H new ATOM 0 HG12 VAL A 81 12.947 12.888 16.576 1.00 10.21 H new ATOM 0 HG13 VAL A 81 11.408 13.700 16.203 1.00 10.21 H new ATOM 0 HG21 VAL A 81 9.656 11.191 16.591 1.00 34.13 H new ATOM 0 HG22 VAL A 81 9.493 12.301 15.210 1.00 34.13 H new ATOM 0 HG23 VAL A 81 9.766 10.566 14.929 1.00 34.13 H new ATOM 1283 N PHE A 82 10.268 12.879 12.758 1.00 33.24 N ATOM 1284 CA PHE A 82 9.461 13.934 12.157 1.00 2.32 C ATOM 1285 C PHE A 82 8.085 14.007 12.813 1.00 41.23 C ATOM 1286 O PHE A 82 7.487 12.983 13.142 1.00 62.23 O ATOM 1287 CB PHE A 82 9.309 13.696 10.653 1.00 55.50 C ATOM 1288 CG PHE A 82 10.613 13.719 9.908 1.00 34.54 C ATOM 1289 CD1 PHE A 82 11.210 14.921 9.564 1.00 35.13 C ATOM 1290 CD2 PHE A 82 11.242 12.536 9.552 1.00 24.20 C ATOM 1291 CE1 PHE A 82 12.410 14.944 8.879 1.00 73.41 C ATOM 1292 CE2 PHE A 82 12.442 12.553 8.866 1.00 14.20 C ATOM 1293 CZ PHE A 82 13.027 13.758 8.529 1.00 42.24 C ATOM 0 H PHE A 82 10.018 11.936 12.461 1.00 33.24 H new ATOM 0 HA PHE A 82 9.972 14.883 12.318 1.00 2.32 H new ATOM 0 HB2 PHE A 82 8.825 12.733 10.493 1.00 55.50 H new ATOM 0 HB3 PHE A 82 8.649 14.457 10.238 1.00 55.50 H new ATOM 0 HD1 PHE A 82 10.732 15.851 9.834 1.00 35.13 H new ATOM 0 HD2 PHE A 82 10.790 11.591 9.813 1.00 24.20 H new ATOM 0 HE1 PHE A 82 12.865 15.888 8.617 1.00 73.41 H new ATOM 0 HE2 PHE A 82 12.922 11.625 8.594 1.00 14.20 H new ATOM 0 HZ PHE A 82 13.965 13.773 7.993 1.00 42.24 H new ATOM 1303 N VAL A 83 7.590 15.226 13.002 1.00 32.13 N ATOM 1304 CA VAL A 83 6.285 15.435 13.619 1.00 24.53 C ATOM 1305 C VAL A 83 5.362 16.224 12.698 1.00 42.53 C ATOM 1306 O VAL A 83 5.727 16.551 11.568 1.00 2.21 O ATOM 1307 CB VAL A 83 6.410 16.177 14.962 1.00 4.45 C ATOM 1308 CG1 VAL A 83 7.210 15.350 15.957 1.00 10.11 C ATOM 1309 CG2 VAL A 83 7.049 17.542 14.757 1.00 42.52 C ATOM 0 H VAL A 83 8.073 16.084 12.737 1.00 32.13 H new ATOM 0 HA VAL A 83 5.858 14.448 13.798 1.00 24.53 H new ATOM 0 HB VAL A 83 5.410 16.325 15.370 1.00 4.45 H new ATOM 0 HG11 VAL A 83 7.288 15.891 16.900 1.00 10.11 H new ATOM 0 HG12 VAL A 83 6.708 14.397 16.125 1.00 10.11 H new ATOM 0 HG13 VAL A 83 8.209 15.168 15.560 1.00 10.11 H new ATOM 0 HG21 VAL A 83 7.130 18.054 15.716 1.00 42.52 H new ATOM 0 HG22 VAL A 83 8.043 17.418 14.327 1.00 42.52 H new ATOM 0 HG23 VAL A 83 6.433 18.134 14.081 1.00 42.52 H new ATOM 1319 N ARG A 84 4.165 16.529 13.189 1.00 22.13 N ATOM 1320 CA ARG A 84 3.189 17.281 12.410 1.00 65.21 C ATOM 1321 C ARG A 84 2.739 18.530 13.161 1.00 41.51 C ATOM 1322 O ARG A 84 1.544 18.813 13.258 1.00 24.25 O ATOM 1323 CB ARG A 84 1.978 16.404 12.086 1.00 0.03 C ATOM 1324 CG ARG A 84 1.138 16.927 10.933 1.00 11.21 C ATOM 1325 CD ARG A 84 0.998 15.889 9.829 1.00 52.51 C ATOM 1326 NE ARG A 84 -0.298 15.971 9.162 1.00 34.23 N ATOM 1327 CZ ARG A 84 -0.619 16.922 8.294 1.00 64.23 C ATOM 1328 NH1 ARG A 84 0.257 17.868 7.987 1.00 14.50 N ATOM 1329 NH2 ARG A 84 -1.820 16.928 7.728 1.00 2.51 N ATOM 0 H ARG A 84 3.848 16.267 14.122 1.00 22.13 H new ATOM 0 HA ARG A 84 3.665 17.590 11.479 1.00 65.21 H new ATOM 0 HB2 ARG A 84 2.322 15.398 11.846 1.00 0.03 H new ATOM 0 HB3 ARG A 84 1.351 16.323 12.974 1.00 0.03 H new ATOM 0 HG2 ARG A 84 0.150 17.206 11.299 1.00 11.21 H new ATOM 0 HG3 ARG A 84 1.595 17.830 10.529 1.00 11.21 H new ATOM 0 HD2 ARG A 84 1.792 16.030 9.096 1.00 52.51 H new ATOM 0 HD3 ARG A 84 1.126 14.892 10.250 1.00 52.51 H new ATOM 0 HE ARG A 84 -0.995 15.258 9.375 1.00 34.23 H new ATOM 0 HH11 ARG A 84 1.181 17.867 8.418 1.00 14.50 H new ATOM 0 HH12 ARG A 84 0.007 18.597 7.319 1.00 14.50 H new ATOM 0 HH21 ARG A 84 -2.497 16.201 7.960 1.00 2.51 H new ATOM 0 HH22 ARG A 84 -2.066 17.659 7.061 1.00 2.51 H new ATOM 1343 N SER A 85 3.703 19.274 13.693 1.00 11.21 N ATOM 1344 CA SER A 85 3.407 20.490 14.441 1.00 41.34 C ATOM 1345 C SER A 85 4.690 21.158 14.923 1.00 55.42 C ATOM 1346 O SER A 85 5.638 20.487 15.331 1.00 4.24 O ATOM 1347 CB SER A 85 2.503 20.174 15.634 1.00 15.33 C ATOM 1348 OG SER A 85 2.706 18.847 16.088 1.00 35.42 O ATOM 0 H SER A 85 4.697 19.056 13.620 1.00 11.21 H new ATOM 0 HA SER A 85 2.888 21.179 13.774 1.00 41.34 H new ATOM 0 HB2 SER A 85 2.706 20.874 16.444 1.00 15.33 H new ATOM 0 HB3 SER A 85 1.459 20.309 15.350 1.00 15.33 H new ATOM 0 HG SER A 85 2.014 18.615 16.742 1.00 35.42 H new ATOM 1354 N LYS A 86 4.714 22.486 14.874 1.00 60.24 N ATOM 1355 CA LYS A 86 5.879 23.248 15.306 1.00 0.31 C ATOM 1356 C LYS A 86 5.461 24.452 16.146 1.00 20.05 C ATOM 1357 O LYS A 86 6.081 24.753 17.165 1.00 14.03 O ATOM 1358 CB LYS A 86 6.688 23.715 14.093 1.00 74.10 C ATOM 1359 CG LYS A 86 5.881 24.538 13.105 1.00 71.00 C ATOM 1360 CD LYS A 86 6.092 26.028 13.317 1.00 14.04 C ATOM 1361 CE LYS A 86 4.937 26.841 12.752 1.00 14.00 C ATOM 1362 NZ LYS A 86 4.925 26.826 11.263 1.00 61.14 N ATOM 0 H LYS A 86 3.938 23.057 14.539 1.00 60.24 H new ATOM 0 HA LYS A 86 6.501 22.596 15.920 1.00 0.31 H new ATOM 0 HB2 LYS A 86 7.536 24.306 14.438 1.00 74.10 H new ATOM 0 HB3 LYS A 86 7.095 22.843 13.580 1.00 74.10 H new ATOM 0 HG2 LYS A 86 6.167 24.270 12.088 1.00 71.00 H new ATOM 0 HG3 LYS A 86 4.822 24.301 13.211 1.00 71.00 H new ATOM 0 HD2 LYS A 86 6.196 26.234 14.382 1.00 14.04 H new ATOM 0 HD3 LYS A 86 7.023 26.336 12.840 1.00 14.04 H new ATOM 0 HE2 LYS A 86 3.994 26.442 13.127 1.00 14.00 H new ATOM 0 HE3 LYS A 86 5.010 27.870 13.104 1.00 14.00 H new ATOM 0 HZ1 LYS A 86 4.123 27.391 10.917 1.00 61.14 H new ATOM 0 HZ2 LYS A 86 5.814 27.230 10.905 1.00 61.14 H new ATOM 0 HZ3 LYS A 86 4.829 25.847 10.926 1.00 61.14 H new ATOM 1376 N GLN A 87 4.407 25.134 15.710 1.00 60.12 N ATOM 1377 CA GLN A 87 3.907 26.304 16.423 1.00 12.01 C ATOM 1378 C GLN A 87 3.649 25.978 17.890 1.00 41.04 C ATOM 1379 O GLN A 87 4.168 26.645 18.785 1.00 61.15 O ATOM 1380 CB GLN A 87 2.623 26.815 15.768 1.00 50.42 C ATOM 1381 CG GLN A 87 2.354 28.289 16.027 1.00 42.21 C ATOM 1382 CD GLN A 87 1.680 28.975 14.855 1.00 23.45 C ATOM 1383 OE1 GLN A 87 1.892 28.604 13.699 1.00 63.41 O ATOM 1384 NE2 GLN A 87 0.863 29.979 15.145 1.00 53.01 N ATOM 0 H GLN A 87 3.883 24.897 14.867 1.00 60.12 H new ATOM 0 HA GLN A 87 4.668 27.083 16.372 1.00 12.01 H new ATOM 0 HB2 GLN A 87 2.682 26.648 14.692 1.00 50.42 H new ATOM 0 HB3 GLN A 87 1.780 26.230 16.135 1.00 50.42 H new ATOM 0 HG2 GLN A 87 1.726 28.390 16.912 1.00 42.21 H new ATOM 0 HG3 GLN A 87 3.295 28.793 16.246 1.00 42.21 H new ATOM 0 HE21 GLN A 87 0.717 30.253 16.117 1.00 53.01 H new ATOM 0 HE22 GLN A 87 0.381 30.477 14.396 1.00 53.01 H new ATOM 1393 N ALA A 88 2.843 24.948 18.130 1.00 12.12 N ATOM 1394 CA ALA A 88 2.517 24.534 19.489 1.00 30.15 C ATOM 1395 C ALA A 88 3.778 24.190 20.275 1.00 25.32 C ATOM 1396 O ALA A 88 3.839 24.390 21.488 1.00 12.23 O ATOM 1397 CB ALA A 88 1.568 23.344 19.464 1.00 3.02 C ATOM 0 H ALA A 88 2.404 24.386 17.401 1.00 12.12 H new ATOM 0 HA ALA A 88 2.025 25.368 19.989 1.00 30.15 H new ATOM 0 HB1 ALA A 88 1.333 23.045 20.485 1.00 3.02 H new ATOM 0 HB2 ALA A 88 0.650 23.622 18.946 1.00 3.02 H new ATOM 0 HB3 ALA A 88 2.041 22.512 18.942 1.00 3.02 H new ATOM 1403 N LEU A 89 4.783 23.671 19.577 1.00 62.35 N ATOM 1404 CA LEU A 89 6.043 23.299 20.209 1.00 55.44 C ATOM 1405 C LEU A 89 6.666 24.493 20.925 1.00 2.34 C ATOM 1406 O LEU A 89 7.095 24.388 22.073 1.00 33.30 O ATOM 1407 CB LEU A 89 7.018 22.750 19.167 1.00 61.32 C ATOM 1408 CG LEU A 89 8.117 21.828 19.696 1.00 5.05 C ATOM 1409 CD1 LEU A 89 8.413 20.721 18.695 1.00 40.42 C ATOM 1410 CD2 LEU A 89 9.378 22.624 20.003 1.00 42.01 C ATOM 0 H LEU A 89 4.749 23.498 18.572 1.00 62.35 H new ATOM 0 HA LEU A 89 5.835 22.524 20.946 1.00 55.44 H new ATOM 0 HB2 LEU A 89 6.446 22.206 18.415 1.00 61.32 H new ATOM 0 HB3 LEU A 89 7.490 23.592 18.661 1.00 61.32 H new ATOM 0 HG LEU A 89 7.767 21.369 20.620 1.00 5.05 H new ATOM 0 HD11 LEU A 89 9.198 20.075 19.089 1.00 40.42 H new ATOM 0 HD12 LEU A 89 7.511 20.134 18.525 1.00 40.42 H new ATOM 0 HD13 LEU A 89 8.743 21.160 17.754 1.00 40.42 H new ATOM 0 HD21 LEU A 89 10.150 21.952 20.378 1.00 42.01 H new ATOM 0 HD22 LEU A 89 9.731 23.111 19.094 1.00 42.01 H new ATOM 0 HD23 LEU A 89 9.157 23.380 20.757 1.00 42.01 H new ATOM 1422 N GLY A 90 6.711 25.631 20.239 1.00 5.13 N ATOM 1423 CA GLY A 90 7.282 26.830 20.825 1.00 12.42 C ATOM 1424 C GLY A 90 6.534 27.282 22.063 1.00 34.22 C ATOM 1425 O GLY A 90 7.139 27.527 23.108 1.00 63.22 O ATOM 0 H GLY A 90 6.362 25.744 19.287 1.00 5.13 H new ATOM 0 HA2 GLY A 90 8.325 26.644 21.082 1.00 12.42 H new ATOM 0 HA3 GLY A 90 7.274 27.631 20.086 1.00 12.42 H new ATOM 1429 N ARG A 91 5.215 27.394 21.947 1.00 40.20 N ATOM 1430 CA ARG A 91 4.383 27.823 23.065 1.00 55.31 C ATOM 1431 C ARG A 91 4.448 26.815 24.209 1.00 34.30 C ATOM 1432 O ARG A 91 4.331 27.179 25.379 1.00 42.00 O ATOM 1433 CB ARG A 91 2.934 28.004 22.611 1.00 32.41 C ATOM 1434 CG ARG A 91 2.467 29.450 22.625 1.00 1.12 C ATOM 1435 CD ARG A 91 1.374 29.673 23.659 1.00 51.23 C ATOM 1436 NE ARG A 91 0.765 30.995 23.536 1.00 11.25 N ATOM 1437 CZ ARG A 91 -0.412 31.314 24.063 1.00 1.53 C ATOM 1438 NH1 ARG A 91 -1.103 30.411 24.746 1.00 32.03 N ATOM 1439 NH2 ARG A 91 -0.899 32.538 23.908 1.00 1.31 N ATOM 0 H ARG A 91 4.699 27.194 21.090 1.00 40.20 H new ATOM 0 HA ARG A 91 4.765 28.779 23.424 1.00 55.31 H new ATOM 0 HB2 ARG A 91 2.826 27.606 21.602 1.00 32.41 H new ATOM 0 HB3 ARG A 91 2.283 27.415 23.257 1.00 32.41 H new ATOM 0 HG2 ARG A 91 3.312 30.104 22.840 1.00 1.12 H new ATOM 0 HG3 ARG A 91 2.096 29.723 21.637 1.00 1.12 H new ATOM 0 HD2 ARG A 91 0.606 28.908 23.545 1.00 51.23 H new ATOM 0 HD3 ARG A 91 1.792 29.558 24.659 1.00 51.23 H new ATOM 0 HE ARG A 91 1.271 31.713 23.017 1.00 11.25 H new ATOM 0 HH11 ARG A 91 -0.731 29.469 24.868 1.00 32.03 H new ATOM 0 HH12 ARG A 91 -2.006 30.659 25.150 1.00 32.03 H new ATOM 0 HH21 ARG A 91 -0.370 33.235 23.384 1.00 1.31 H new ATOM 0 HH22 ARG A 91 -1.803 32.782 24.313 1.00 1.31 H new ATOM 1453 N ALA A 92 4.634 25.546 23.862 1.00 52.03 N ATOM 1454 CA ALA A 92 4.715 24.485 24.858 1.00 15.51 C ATOM 1455 C ALA A 92 5.932 24.670 25.759 1.00 60.44 C ATOM 1456 O ALA A 92 5.814 24.673 26.985 1.00 43.11 O ATOM 1457 CB ALA A 92 4.761 23.125 24.179 1.00 70.43 C ATOM 0 H ALA A 92 4.731 25.227 22.898 1.00 52.03 H new ATOM 0 HA ALA A 92 3.822 24.537 25.481 1.00 15.51 H new ATOM 0 HB1 ALA A 92 4.821 22.343 24.935 1.00 70.43 H new ATOM 0 HB2 ALA A 92 3.859 22.985 23.583 1.00 70.43 H new ATOM 0 HB3 ALA A 92 5.636 23.071 23.531 1.00 70.43 H new ATOM 1463 N CYS A 93 7.099 24.822 25.144 1.00 3.34 N ATOM 1464 CA CYS A 93 8.339 25.005 25.890 1.00 50.33 C ATOM 1465 C CYS A 93 8.230 26.194 26.840 1.00 33.20 C ATOM 1466 O CYS A 93 8.913 26.249 27.862 1.00 13.43 O ATOM 1467 CB CYS A 93 9.511 25.211 24.930 1.00 14.22 C ATOM 1468 SG CYS A 93 10.514 23.730 24.664 1.00 64.30 S ATOM 0 H CYS A 93 7.213 24.822 24.130 1.00 3.34 H new ATOM 0 HA CYS A 93 8.516 24.105 26.480 1.00 50.33 H new ATOM 0 HB2 CYS A 93 9.125 25.553 23.970 1.00 14.22 H new ATOM 0 HB3 CYS A 93 10.150 26.005 25.318 1.00 14.22 H new ATOM 0 HG CYS A 93 10.863 23.230 25.812 1.00 64.30 H new ATOM 1474 N GLY A 94 7.366 27.144 26.495 1.00 1.43 N ATOM 1475 CA GLY A 94 7.186 28.320 27.327 1.00 4.22 C ATOM 1476 C GLY A 94 8.061 29.479 26.891 1.00 22.43 C ATOM 1477 O GLY A 94 8.310 30.404 27.664 1.00 20.52 O ATOM 0 H GLY A 94 6.788 27.120 25.655 1.00 1.43 H new ATOM 0 HA2 GLY A 94 6.140 28.627 27.296 1.00 4.22 H new ATOM 0 HA3 GLY A 94 7.413 28.067 28.363 1.00 4.22 H new ATOM 1481 N VAL A 95 8.531 29.429 25.648 1.00 55.11 N ATOM 1482 CA VAL A 95 9.385 30.482 25.110 1.00 71.05 C ATOM 1483 C VAL A 95 8.667 31.266 24.017 1.00 30.03 C ATOM 1484 O VAL A 95 7.792 30.736 23.332 1.00 45.43 O ATOM 1485 CB VAL A 95 10.693 29.906 24.539 1.00 51.51 C ATOM 1486 CG1 VAL A 95 10.413 29.062 23.305 1.00 41.22 C ATOM 1487 CG2 VAL A 95 11.671 31.026 24.218 1.00 21.04 C ATOM 0 H VAL A 95 8.335 28.671 24.995 1.00 55.11 H new ATOM 0 HA VAL A 95 9.622 31.151 25.937 1.00 71.05 H new ATOM 0 HB VAL A 95 11.146 29.263 25.293 1.00 51.51 H new ATOM 0 HG11 VAL A 95 11.350 28.664 22.916 1.00 41.22 H new ATOM 0 HG12 VAL A 95 9.751 28.238 23.570 1.00 41.22 H new ATOM 0 HG13 VAL A 95 9.937 29.679 22.543 1.00 41.22 H new ATOM 0 HG21 VAL A 95 12.591 30.602 23.815 1.00 21.04 H new ATOM 0 HG22 VAL A 95 11.228 31.696 23.482 1.00 21.04 H new ATOM 0 HG23 VAL A 95 11.896 31.584 25.127 1.00 21.04 H new ATOM 1497 N SER A 96 9.044 32.531 23.860 1.00 65.44 N ATOM 1498 CA SER A 96 8.433 33.390 22.852 1.00 3.04 C ATOM 1499 C SER A 96 9.183 33.289 21.527 1.00 71.22 C ATOM 1500 O SER A 96 9.535 34.301 20.921 1.00 40.15 O ATOM 1501 CB SER A 96 8.417 34.843 23.332 1.00 63.31 C ATOM 1502 OG SER A 96 8.212 34.915 24.732 1.00 53.04 O ATOM 0 H SER A 96 9.769 32.983 24.417 1.00 65.44 H new ATOM 0 HA SER A 96 7.408 33.055 22.697 1.00 3.04 H new ATOM 0 HB2 SER A 96 9.360 35.325 23.074 1.00 63.31 H new ATOM 0 HB3 SER A 96 7.628 35.391 22.817 1.00 63.31 H new ATOM 0 HG SER A 96 8.208 35.854 25.014 1.00 53.04 H new ATOM 1508 N ARG A 97 9.423 32.060 21.082 1.00 34.20 N ATOM 1509 CA ARG A 97 10.131 31.825 19.830 1.00 52.21 C ATOM 1510 C ARG A 97 9.934 30.388 19.355 1.00 44.31 C ATOM 1511 O ARG A 97 10.009 29.436 20.131 1.00 4.14 O ATOM 1512 CB ARG A 97 11.623 32.116 20.001 1.00 45.43 C ATOM 1513 CG ARG A 97 12.435 31.902 18.734 1.00 3.43 C ATOM 1514 CD ARG A 97 12.570 33.189 17.935 1.00 31.33 C ATOM 1515 NE ARG A 97 13.964 33.595 17.783 1.00 11.41 N ATOM 1516 CZ ARG A 97 14.375 34.494 16.895 1.00 22.23 C ATOM 1517 NH1 ARG A 97 13.503 35.077 16.084 1.00 30.13 N ATOM 1518 NH2 ARG A 97 15.662 34.811 16.817 1.00 61.12 N ATOM 0 H ARG A 97 9.137 31.211 21.570 1.00 34.20 H new ATOM 0 HA ARG A 97 9.720 32.498 19.078 1.00 52.21 H new ATOM 0 HB2 ARG A 97 11.748 33.147 20.332 1.00 45.43 H new ATOM 0 HB3 ARG A 97 12.021 31.477 20.790 1.00 45.43 H new ATOM 0 HG2 ARG A 97 13.425 31.528 18.994 1.00 3.43 H new ATOM 0 HG3 ARG A 97 11.958 31.139 18.119 1.00 3.43 H new ATOM 0 HD2 ARG A 97 12.123 33.053 16.950 1.00 31.33 H new ATOM 0 HD3 ARG A 97 12.013 33.984 18.431 1.00 31.33 H new ATOM 0 HE ARG A 97 14.661 33.165 18.392 1.00 11.41 H new ATOM 0 HH11 ARG A 97 12.514 34.836 16.141 1.00 30.13 H new ATOM 0 HH12 ARG A 97 13.822 35.767 15.403 1.00 30.13 H new ATOM 0 HH21 ARG A 97 16.336 34.364 17.439 1.00 61.12 H new ATOM 0 HH22 ARG A 97 15.977 35.501 16.135 1.00 61.12 H new ATOM 1532 N PRO A 98 9.674 30.227 18.049 1.00 4.31 N ATOM 1533 CA PRO A 98 9.460 28.911 17.440 1.00 12.54 C ATOM 1534 C PRO A 98 10.739 28.083 17.388 1.00 32.24 C ATOM 1535 O PRO A 98 11.835 28.621 17.228 1.00 60.35 O ATOM 1536 CB PRO A 98 8.983 29.247 16.025 1.00 42.32 C ATOM 1537 CG PRO A 98 9.548 30.597 15.746 1.00 43.42 C ATOM 1538 CD PRO A 98 9.569 31.319 17.065 1.00 0.22 C ATOM 0 HA PRO A 98 8.753 28.308 18.010 1.00 12.54 H new ATOM 0 HB2 PRO A 98 9.338 28.512 15.303 1.00 42.32 H new ATOM 0 HB3 PRO A 98 7.895 29.253 15.965 1.00 42.32 H new ATOM 0 HG2 PRO A 98 10.551 30.521 15.327 1.00 43.42 H new ATOM 0 HG3 PRO A 98 8.938 31.132 15.018 1.00 43.42 H new ATOM 0 HD2 PRO A 98 10.413 32.005 17.134 1.00 0.22 H new ATOM 0 HD3 PRO A 98 8.665 31.909 17.215 1.00 0.22 H new ATOM 1546 N VAL A 99 10.593 26.768 17.525 1.00 23.43 N ATOM 1547 CA VAL A 99 11.736 25.865 17.492 1.00 34.45 C ATOM 1548 C VAL A 99 11.672 24.941 16.281 1.00 31.45 C ATOM 1549 O VAL A 99 10.589 24.591 15.811 1.00 31.52 O ATOM 1550 CB VAL A 99 11.814 25.010 18.771 1.00 2.31 C ATOM 1551 CG1 VAL A 99 13.110 24.215 18.805 1.00 12.23 C ATOM 1552 CG2 VAL A 99 11.685 25.889 20.007 1.00 24.32 C ATOM 0 H VAL A 99 9.694 26.306 17.660 1.00 23.43 H new ATOM 0 HA VAL A 99 12.628 26.488 17.425 1.00 34.45 H new ATOM 0 HB VAL A 99 10.984 24.304 18.766 1.00 2.31 H new ATOM 0 HG11 VAL A 99 13.147 23.617 19.716 1.00 12.23 H new ATOM 0 HG12 VAL A 99 13.156 23.557 17.937 1.00 12.23 H new ATOM 0 HG13 VAL A 99 13.958 24.900 18.786 1.00 12.23 H new ATOM 0 HG21 VAL A 99 11.742 25.269 20.902 1.00 24.32 H new ATOM 0 HG22 VAL A 99 12.493 26.620 20.020 1.00 24.32 H new ATOM 0 HG23 VAL A 99 10.727 26.408 19.986 1.00 24.32 H new ATOM 1562 N ILE A 100 12.839 24.549 15.779 1.00 72.51 N ATOM 1563 CA ILE A 100 12.914 23.664 14.624 1.00 21.33 C ATOM 1564 C ILE A 100 13.543 22.325 14.996 1.00 44.40 C ATOM 1565 O ILE A 100 13.253 21.299 14.382 1.00 74.35 O ATOM 1566 CB ILE A 100 13.727 24.300 13.481 1.00 25.15 C ATOM 1567 CG1 ILE A 100 15.058 24.838 14.009 1.00 51.11 C ATOM 1568 CG2 ILE A 100 12.927 25.410 12.816 1.00 63.52 C ATOM 1569 CD1 ILE A 100 16.233 24.538 13.106 1.00 3.44 C ATOM 0 H ILE A 100 13.745 24.831 16.154 1.00 72.51 H new ATOM 0 HA ILE A 100 11.891 23.500 14.285 1.00 21.33 H new ATOM 0 HB ILE A 100 13.938 23.533 12.735 1.00 25.15 H new ATOM 0 HG12 ILE A 100 14.978 25.917 14.140 1.00 51.11 H new ATOM 0 HG13 ILE A 100 15.248 24.410 14.993 1.00 51.11 H new ATOM 0 HG21 ILE A 100 13.515 25.850 12.010 1.00 63.52 H new ATOM 0 HG22 ILE A 100 12.003 24.999 12.409 1.00 63.52 H new ATOM 0 HG23 ILE A 100 12.689 26.178 13.552 1.00 63.52 H new ATOM 0 HD11 ILE A 100 17.143 24.949 13.544 1.00 3.44 H new ATOM 0 HD12 ILE A 100 16.340 23.459 12.994 1.00 3.44 H new ATOM 0 HD13 ILE A 100 16.065 24.989 12.128 1.00 3.44 H new ATOM 1581 N ALA A 101 14.405 22.344 16.008 1.00 22.12 N ATOM 1582 CA ALA A 101 15.073 21.131 16.465 1.00 61.24 C ATOM 1583 C ALA A 101 15.373 21.200 17.959 1.00 61.32 C ATOM 1584 O ALA A 101 16.135 22.056 18.409 1.00 55.21 O ATOM 1585 CB ALA A 101 16.354 20.905 15.677 1.00 70.23 C ATOM 0 H ALA A 101 14.657 23.185 16.527 1.00 22.12 H new ATOM 0 HA ALA A 101 14.402 20.289 16.294 1.00 61.24 H new ATOM 0 HB1 ALA A 101 16.842 19.996 16.029 1.00 70.23 H new ATOM 0 HB2 ALA A 101 16.117 20.803 14.618 1.00 70.23 H new ATOM 0 HB3 ALA A 101 17.023 21.754 15.818 1.00 70.23 H new ATOM 1591 N CYS A 102 14.769 20.296 18.721 1.00 33.33 N ATOM 1592 CA CYS A 102 14.971 20.254 20.165 1.00 45.50 C ATOM 1593 C CYS A 102 15.547 18.909 20.596 1.00 65.13 C ATOM 1594 O CYS A 102 15.250 17.875 19.997 1.00 50.45 O ATOM 1595 CB CYS A 102 13.651 20.514 20.893 1.00 4.23 C ATOM 1596 SG CYS A 102 12.264 19.526 20.284 1.00 4.44 S ATOM 0 H CYS A 102 14.135 19.582 18.363 1.00 33.33 H new ATOM 0 HA CYS A 102 15.684 21.035 20.430 1.00 45.50 H new ATOM 0 HB2 CYS A 102 13.788 20.312 21.955 1.00 4.23 H new ATOM 0 HB3 CYS A 102 13.399 21.570 20.800 1.00 4.23 H new ATOM 0 HG CYS A 102 12.455 19.236 19.031 1.00 4.44 H new ATOM 1602 N SER A 103 16.374 18.931 21.636 1.00 44.13 N ATOM 1603 CA SER A 103 16.997 17.715 22.144 1.00 61.34 C ATOM 1604 C SER A 103 16.344 17.275 23.450 1.00 72.34 C ATOM 1605 O SER A 103 15.897 18.103 24.244 1.00 73.23 O ATOM 1606 CB SER A 103 18.495 17.935 22.358 1.00 33.12 C ATOM 1607 OG SER A 103 19.248 16.841 21.861 1.00 61.34 O ATOM 0 H SER A 103 16.628 19.778 22.144 1.00 44.13 H new ATOM 0 HA SER A 103 16.855 16.927 21.404 1.00 61.34 H new ATOM 0 HB2 SER A 103 18.806 18.852 21.857 1.00 33.12 H new ATOM 0 HB3 SER A 103 18.698 18.067 23.421 1.00 33.12 H new ATOM 0 HG SER A 103 20.203 17.007 22.008 1.00 61.34 H new ATOM 1613 N VAL A 104 16.293 15.965 23.667 1.00 72.52 N ATOM 1614 CA VAL A 104 15.696 15.413 24.878 1.00 72.42 C ATOM 1615 C VAL A 104 16.745 14.721 25.742 1.00 0.10 C ATOM 1616 O VAL A 104 17.279 13.674 25.372 1.00 43.52 O ATOM 1617 CB VAL A 104 14.577 14.408 24.544 1.00 13.05 C ATOM 1618 CG1 VAL A 104 13.992 13.818 25.818 1.00 22.31 C ATOM 1619 CG2 VAL A 104 13.495 15.073 23.708 1.00 2.23 C ATOM 0 H VAL A 104 16.658 15.266 23.020 1.00 72.52 H new ATOM 0 HA VAL A 104 15.269 16.250 25.431 1.00 72.42 H new ATOM 0 HB VAL A 104 15.006 13.594 23.959 1.00 13.05 H new ATOM 0 HG11 VAL A 104 13.203 13.110 25.563 1.00 22.31 H new ATOM 0 HG12 VAL A 104 14.776 13.303 26.374 1.00 22.31 H new ATOM 0 HG13 VAL A 104 13.577 14.617 26.432 1.00 22.31 H new ATOM 0 HG21 VAL A 104 12.713 14.348 23.482 1.00 2.23 H new ATOM 0 HG22 VAL A 104 13.067 15.907 24.264 1.00 2.23 H new ATOM 0 HG23 VAL A 104 13.928 15.441 22.778 1.00 2.23 H new ATOM 1629 N THR A 105 17.036 15.313 26.896 1.00 30.12 N ATOM 1630 CA THR A 105 18.022 14.754 27.813 1.00 41.42 C ATOM 1631 C THR A 105 17.347 14.036 28.976 1.00 73.44 C ATOM 1632 O THR A 105 16.202 14.335 29.321 1.00 33.33 O ATOM 1633 CB THR A 105 18.952 15.848 28.371 1.00 14.22 C ATOM 1634 OG1 THR A 105 18.228 17.072 28.535 1.00 62.45 O ATOM 1635 CG2 THR A 105 20.137 16.075 27.445 1.00 11.24 C ATOM 0 H THR A 105 16.603 16.179 27.218 1.00 30.12 H new ATOM 0 HA THR A 105 18.614 14.038 27.243 1.00 41.42 H new ATOM 0 HB THR A 105 19.326 15.515 29.339 1.00 14.22 H new ATOM 0 HG1 THR A 105 17.750 17.057 29.391 1.00 62.45 H new ATOM 0 HG21 THR A 105 20.779 16.852 27.860 1.00 11.24 H new ATOM 0 HG22 THR A 105 20.704 15.149 27.346 1.00 11.24 H new ATOM 0 HG23 THR A 105 19.778 16.387 26.464 1.00 11.24 H new ATOM 1643 N ILE A 106 18.060 13.090 29.576 1.00 44.32 N ATOM 1644 CA ILE A 106 17.530 12.331 30.701 1.00 61.52 C ATOM 1645 C ILE A 106 18.115 12.821 32.021 1.00 41.23 C ATOM 1646 O ILE A 106 19.310 13.099 32.117 1.00 15.42 O ATOM 1647 CB ILE A 106 17.819 10.825 30.551 1.00 52.23 C ATOM 1648 CG1 ILE A 106 17.274 10.057 31.757 1.00 1.52 C ATOM 1649 CG2 ILE A 106 19.313 10.587 30.395 1.00 12.52 C ATOM 1650 CD1 ILE A 106 17.506 8.565 31.677 1.00 20.34 C ATOM 0 H ILE A 106 19.007 12.831 29.301 1.00 44.32 H new ATOM 0 HA ILE A 106 16.451 12.487 30.705 1.00 61.52 H new ATOM 0 HB ILE A 106 17.317 10.460 29.655 1.00 52.23 H new ATOM 0 HG12 ILE A 106 17.741 10.441 32.664 1.00 1.52 H new ATOM 0 HG13 ILE A 106 16.204 10.246 31.845 1.00 1.52 H new ATOM 0 HG21 ILE A 106 19.502 9.519 30.290 1.00 12.52 H new ATOM 0 HG22 ILE A 106 19.674 11.108 29.508 1.00 12.52 H new ATOM 0 HG23 ILE A 106 19.835 10.963 31.275 1.00 12.52 H new ATOM 0 HD11 ILE A 106 17.094 8.085 32.565 1.00 20.34 H new ATOM 0 HD12 ILE A 106 17.015 8.168 30.789 1.00 20.34 H new ATOM 0 HD13 ILE A 106 18.576 8.366 31.620 1.00 20.34 H new ATOM 1662 N LYS A 107 17.266 12.924 33.036 1.00 54.25 N ATOM 1663 CA LYS A 107 17.698 13.378 34.353 1.00 74.35 C ATOM 1664 C LYS A 107 17.935 12.195 35.287 1.00 24.42 C ATOM 1665 O LYS A 107 17.039 11.383 35.514 1.00 51.04 O ATOM 1666 CB LYS A 107 16.653 14.317 34.960 1.00 32.11 C ATOM 1667 CG LYS A 107 17.144 15.059 36.191 1.00 74.23 C ATOM 1668 CD LYS A 107 17.648 16.448 35.842 1.00 1.11 C ATOM 1669 CE LYS A 107 17.936 17.268 37.091 1.00 4.04 C ATOM 1670 NZ LYS A 107 18.170 18.703 36.770 1.00 13.03 N ATOM 0 H LYS A 107 16.273 12.699 32.973 1.00 54.25 H new ATOM 0 HA LYS A 107 18.637 13.918 34.232 1.00 74.35 H new ATOM 0 HB2 LYS A 107 16.348 15.043 34.206 1.00 32.11 H new ATOM 0 HB3 LYS A 107 15.767 13.739 35.224 1.00 32.11 H new ATOM 0 HG2 LYS A 107 16.334 15.137 36.917 1.00 74.23 H new ATOM 0 HG3 LYS A 107 17.943 14.490 36.665 1.00 74.23 H new ATOM 0 HD2 LYS A 107 18.554 16.367 35.242 1.00 1.11 H new ATOM 0 HD3 LYS A 107 16.906 16.962 35.231 1.00 1.11 H new ATOM 0 HE2 LYS A 107 17.098 17.183 37.783 1.00 4.04 H new ATOM 0 HE3 LYS A 107 18.811 16.862 37.598 1.00 4.04 H new ATOM 0 HZ1 LYS A 107 18.279 19.243 37.652 1.00 13.03 H new ATOM 0 HZ2 LYS A 107 19.035 18.795 36.199 1.00 13.03 H new ATOM 0 HZ3 LYS A 107 17.360 19.075 36.234 1.00 13.03 H new ATOM 1684 N GLU A 108 19.148 12.104 35.823 1.00 52.53 N ATOM 1685 CA GLU A 108 19.502 11.020 36.731 1.00 51.31 C ATOM 1686 C GLU A 108 18.578 11.004 37.946 1.00 24.21 C ATOM 1687 O GLU A 108 18.400 12.019 38.618 1.00 70.32 O ATOM 1688 CB GLU A 108 20.957 11.160 37.186 1.00 72.53 C ATOM 1689 CG GLU A 108 21.942 10.407 36.309 1.00 12.04 C ATOM 1690 CD GLU A 108 22.534 9.196 37.004 1.00 74.41 C ATOM 1691 OE1 GLU A 108 21.756 8.390 37.557 1.00 61.05 O ATOM 1692 OE2 GLU A 108 23.774 9.052 36.996 1.00 25.14 O ATOM 0 H GLU A 108 19.902 12.768 35.644 1.00 52.53 H new ATOM 0 HA GLU A 108 19.385 10.079 36.194 1.00 51.31 H new ATOM 0 HB2 GLU A 108 21.226 12.216 37.196 1.00 72.53 H new ATOM 0 HB3 GLU A 108 21.045 10.799 38.211 1.00 72.53 H new ATOM 0 HG2 GLU A 108 21.440 10.088 35.396 1.00 12.04 H new ATOM 0 HG3 GLU A 108 22.746 11.080 36.012 1.00 12.04 H new ATOM 1699 N GLY A 109 17.990 9.844 38.220 1.00 35.23 N ATOM 1700 CA GLY A 109 17.092 9.716 39.352 1.00 61.44 C ATOM 1701 C GLY A 109 15.750 10.378 39.105 1.00 43.30 C ATOM 1702 O GLY A 109 15.196 11.023 39.994 1.00 44.35 O ATOM 0 H GLY A 109 18.120 8.990 37.678 1.00 35.23 H new ATOM 0 HA2 GLY A 109 16.938 8.660 39.572 1.00 61.44 H new ATOM 0 HA3 GLY A 109 17.556 10.160 40.232 1.00 61.44 H new ATOM 1706 N SER A 110 15.229 10.221 37.892 1.00 51.23 N ATOM 1707 CA SER A 110 13.947 10.815 37.529 1.00 24.43 C ATOM 1708 C SER A 110 13.029 9.776 36.892 1.00 23.32 C ATOM 1709 O SER A 110 13.490 8.860 36.210 1.00 74.14 O ATOM 1710 CB SER A 110 14.158 11.984 36.565 1.00 23.14 C ATOM 1711 OG SER A 110 13.834 11.615 35.236 1.00 62.51 O ATOM 0 H SER A 110 15.674 9.688 37.145 1.00 51.23 H new ATOM 0 HA SER A 110 13.474 11.184 38.439 1.00 24.43 H new ATOM 0 HB2 SER A 110 13.541 12.828 36.872 1.00 23.14 H new ATOM 0 HB3 SER A 110 15.196 12.314 36.611 1.00 23.14 H new ATOM 0 HG SER A 110 13.976 12.380 34.640 1.00 62.51 H new ATOM 1717 N GLN A 111 11.728 9.926 37.120 1.00 13.22 N ATOM 1718 CA GLN A 111 10.745 9.000 36.571 1.00 63.24 C ATOM 1719 C GLN A 111 10.682 9.112 35.050 1.00 14.51 C ATOM 1720 O GLN A 111 10.307 8.162 34.363 1.00 61.31 O ATOM 1721 CB GLN A 111 9.365 9.273 37.171 1.00 52.11 C ATOM 1722 CG GLN A 111 8.801 10.636 36.804 1.00 43.02 C ATOM 1723 CD GLN A 111 7.623 11.034 37.673 1.00 13.12 C ATOM 1724 OE1 GLN A 111 7.797 11.617 38.744 1.00 32.32 O ATOM 1725 NE2 GLN A 111 6.417 10.720 37.216 1.00 52.23 N ATOM 0 H GLN A 111 11.331 10.680 37.681 1.00 13.22 H new ATOM 0 HA GLN A 111 11.053 7.987 36.831 1.00 63.24 H new ATOM 0 HB2 GLN A 111 8.673 8.500 36.836 1.00 52.11 H new ATOM 0 HB3 GLN A 111 9.428 9.195 38.256 1.00 52.11 H new ATOM 0 HG2 GLN A 111 9.586 11.387 36.897 1.00 43.02 H new ATOM 0 HG3 GLN A 111 8.490 10.627 35.759 1.00 43.02 H new ATOM 0 HE21 GLN A 111 6.320 10.237 36.323 1.00 52.23 H new ATOM 0 HE22 GLN A 111 5.587 10.962 37.758 1.00 52.23 H new ATOM 1734 N LEU A 112 11.051 10.278 34.532 1.00 54.45 N ATOM 1735 CA LEU A 112 11.037 10.515 33.094 1.00 44.15 C ATOM 1736 C LEU A 112 11.840 9.448 32.358 1.00 71.53 C ATOM 1737 O LEU A 112 11.567 9.140 31.197 1.00 24.42 O ATOM 1738 CB LEU A 112 11.602 11.901 32.779 1.00 51.43 C ATOM 1739 CG LEU A 112 10.674 12.849 32.019 1.00 23.41 C ATOM 1740 CD1 LEU A 112 11.396 14.141 31.672 1.00 1.23 C ATOM 1741 CD2 LEU A 112 10.143 12.179 30.760 1.00 24.44 C ATOM 0 H LEU A 112 11.364 11.074 35.087 1.00 54.45 H new ATOM 0 HA LEU A 112 10.003 10.465 32.754 1.00 44.15 H new ATOM 0 HB2 LEU A 112 11.885 12.377 33.718 1.00 51.43 H new ATOM 0 HB3 LEU A 112 12.515 11.775 32.197 1.00 51.43 H new ATOM 0 HG LEU A 112 9.829 13.092 32.663 1.00 23.41 H new ATOM 0 HD11 LEU A 112 10.719 14.802 31.131 1.00 1.23 H new ATOM 0 HD12 LEU A 112 11.727 14.630 32.588 1.00 1.23 H new ATOM 0 HD13 LEU A 112 12.261 13.918 31.047 1.00 1.23 H new ATOM 0 HD21 LEU A 112 9.484 12.868 30.231 1.00 24.44 H new ATOM 0 HD22 LEU A 112 10.977 11.906 30.113 1.00 24.44 H new ATOM 0 HD23 LEU A 112 9.587 11.282 31.032 1.00 24.44 H new ATOM 1753 N LYS A 113 12.829 8.883 33.041 1.00 74.21 N ATOM 1754 CA LYS A 113 13.671 7.846 32.455 1.00 74.14 C ATOM 1755 C LYS A 113 12.821 6.727 31.862 1.00 74.54 C ATOM 1756 O LYS A 113 13.219 6.081 30.893 1.00 2.54 O ATOM 1757 CB LYS A 113 14.620 7.274 33.511 1.00 5.20 C ATOM 1758 CG LYS A 113 13.920 6.446 34.574 1.00 22.15 C ATOM 1759 CD LYS A 113 14.009 4.959 34.270 1.00 43.23 C ATOM 1760 CE LYS A 113 13.836 4.122 35.528 1.00 61.15 C ATOM 1761 NZ LYS A 113 14.991 4.268 36.456 1.00 4.35 N ATOM 0 H LYS A 113 13.068 9.126 34.002 1.00 74.21 H new ATOM 0 HA LYS A 113 14.257 8.298 31.655 1.00 74.14 H new ATOM 0 HB2 LYS A 113 15.370 6.656 33.017 1.00 5.20 H new ATOM 0 HB3 LYS A 113 15.151 8.095 33.993 1.00 5.20 H new ATOM 0 HG2 LYS A 113 14.368 6.647 35.547 1.00 22.15 H new ATOM 0 HG3 LYS A 113 12.873 6.743 34.638 1.00 22.15 H new ATOM 0 HD2 LYS A 113 13.243 4.689 33.543 1.00 43.23 H new ATOM 0 HD3 LYS A 113 14.974 4.737 33.814 1.00 43.23 H new ATOM 0 HE2 LYS A 113 12.920 4.420 36.039 1.00 61.15 H new ATOM 0 HE3 LYS A 113 13.721 3.073 35.253 1.00 61.15 H new ATOM 0 HZ1 LYS A 113 15.033 3.445 37.090 1.00 4.35 H new ATOM 0 HZ2 LYS A 113 15.872 4.327 35.907 1.00 4.35 H new ATOM 0 HZ3 LYS A 113 14.876 5.134 37.020 1.00 4.35 H new ATOM 1775 N GLN A 114 11.648 6.506 32.448 1.00 1.03 N ATOM 1776 CA GLN A 114 10.743 5.465 31.976 1.00 31.30 C ATOM 1777 C GLN A 114 9.964 5.935 30.752 1.00 54.23 C ATOM 1778 O GLN A 114 9.657 5.146 29.859 1.00 42.21 O ATOM 1779 CB GLN A 114 9.774 5.059 33.087 1.00 52.34 C ATOM 1780 CG GLN A 114 8.808 3.959 32.681 1.00 23.31 C ATOM 1781 CD GLN A 114 8.582 2.942 33.783 1.00 43.13 C ATOM 1782 OE1 GLN A 114 8.785 3.233 34.962 1.00 2.11 O ATOM 1783 NE2 GLN A 114 8.160 1.742 33.405 1.00 4.34 N ATOM 0 H GLN A 114 11.303 7.034 33.250 1.00 1.03 H new ATOM 0 HA GLN A 114 11.342 4.600 31.693 1.00 31.30 H new ATOM 0 HB2 GLN A 114 10.346 4.727 33.953 1.00 52.34 H new ATOM 0 HB3 GLN A 114 9.204 5.935 33.398 1.00 52.34 H new ATOM 0 HG2 GLN A 114 7.853 4.404 32.402 1.00 23.31 H new ATOM 0 HG3 GLN A 114 9.193 3.451 31.797 1.00 23.31 H new ATOM 0 HE21 GLN A 114 8.005 1.544 32.417 1.00 4.34 H new ATOM 0 HE22 GLN A 114 7.991 1.018 34.103 1.00 4.34 H new ATOM 1792 N GLN A 115 9.647 7.226 30.719 1.00 50.14 N ATOM 1793 CA GLN A 115 8.902 7.801 29.606 1.00 62.01 C ATOM 1794 C GLN A 115 9.795 7.965 28.380 1.00 61.15 C ATOM 1795 O GLN A 115 9.464 7.497 27.292 1.00 24.42 O ATOM 1796 CB GLN A 115 8.309 9.153 30.005 1.00 41.34 C ATOM 1797 CG GLN A 115 6.861 9.072 30.460 1.00 63.12 C ATOM 1798 CD GLN A 115 5.943 9.965 29.648 1.00 25.41 C ATOM 1799 OE1 GLN A 115 5.882 11.174 29.866 1.00 45.12 O ATOM 1800 NE2 GLN A 115 5.223 9.370 28.702 1.00 11.34 N ATOM 0 H GLN A 115 9.895 7.893 31.450 1.00 50.14 H new ATOM 0 HA GLN A 115 8.091 7.118 29.353 1.00 62.01 H new ATOM 0 HB2 GLN A 115 8.910 9.581 30.807 1.00 41.34 H new ATOM 0 HB3 GLN A 115 8.377 9.835 29.157 1.00 41.34 H new ATOM 0 HG2 GLN A 115 6.518 8.040 30.385 1.00 63.12 H new ATOM 0 HG3 GLN A 115 6.798 9.353 31.511 1.00 63.12 H new ATOM 0 HE21 GLN A 115 5.305 8.364 28.556 1.00 11.34 H new ATOM 0 HE22 GLN A 115 4.589 9.920 28.123 1.00 11.34 H new ATOM 1809 N ILE A 116 10.928 8.634 28.566 1.00 11.32 N ATOM 1810 CA ILE A 116 11.869 8.860 27.476 1.00 32.32 C ATOM 1811 C ILE A 116 12.213 7.553 26.767 1.00 54.15 C ATOM 1812 O ILE A 116 12.240 7.491 25.539 1.00 72.23 O ATOM 1813 CB ILE A 116 13.168 9.514 27.980 1.00 50.33 C ATOM 1814 CG1 ILE A 116 12.860 10.846 28.669 1.00 34.31 C ATOM 1815 CG2 ILE A 116 14.139 9.721 26.827 1.00 12.52 C ATOM 1816 CD1 ILE A 116 14.088 11.544 29.211 1.00 35.22 C ATOM 0 H ILE A 116 11.216 9.029 29.461 1.00 11.32 H new ATOM 0 HA ILE A 116 11.381 9.535 26.773 1.00 32.32 H new ATOM 0 HB ILE A 116 13.634 8.849 28.707 1.00 50.33 H new ATOM 0 HG12 ILE A 116 12.360 11.506 27.960 1.00 34.31 H new ATOM 0 HG13 ILE A 116 12.161 10.670 29.487 1.00 34.31 H new ATOM 0 HG21 ILE A 116 15.053 10.184 27.199 1.00 12.52 H new ATOM 0 HG22 ILE A 116 14.378 8.758 26.376 1.00 12.52 H new ATOM 0 HG23 ILE A 116 13.683 10.369 26.079 1.00 12.52 H new ATOM 0 HD11 ILE A 116 13.795 12.480 29.685 1.00 35.22 H new ATOM 0 HD12 ILE A 116 14.577 10.903 29.945 1.00 35.22 H new ATOM 0 HD13 ILE A 116 14.779 11.752 28.394 1.00 35.22 H new ATOM 1828 N GLN A 117 12.473 6.512 27.552 1.00 1.34 N ATOM 1829 CA GLN A 117 12.815 5.207 26.998 1.00 74.33 C ATOM 1830 C GLN A 117 11.632 4.610 26.243 1.00 21.30 C ATOM 1831 O GLN A 117 11.799 4.016 25.179 1.00 22.05 O ATOM 1832 CB GLN A 117 13.254 4.257 28.114 1.00 24.54 C ATOM 1833 CG GLN A 117 14.731 4.362 28.455 1.00 53.52 C ATOM 1834 CD GLN A 117 15.406 3.008 28.553 1.00 50.30 C ATOM 1835 OE1 GLN A 117 15.040 2.177 29.384 1.00 54.04 O ATOM 1836 NE2 GLN A 117 16.398 2.778 27.700 1.00 53.40 N ATOM 0 H GLN A 117 12.453 6.547 28.571 1.00 1.34 H new ATOM 0 HA GLN A 117 13.639 5.341 26.298 1.00 74.33 H new ATOM 0 HB2 GLN A 117 12.667 4.465 29.009 1.00 24.54 H new ATOM 0 HB3 GLN A 117 13.030 3.232 27.817 1.00 24.54 H new ATOM 0 HG2 GLN A 117 15.234 4.960 27.695 1.00 53.52 H new ATOM 0 HG3 GLN A 117 14.845 4.890 29.402 1.00 53.52 H new ATOM 0 HE21 GLN A 117 16.669 3.495 27.027 1.00 53.40 H new ATOM 0 HE22 GLN A 117 16.889 1.884 27.718 1.00 53.40 H new ATOM 1845 N SER A 118 10.436 4.773 26.801 1.00 51.21 N ATOM 1846 CA SER A 118 9.226 4.246 26.181 1.00 74.33 C ATOM 1847 C SER A 118 8.969 4.916 24.835 1.00 63.10 C ATOM 1848 O SER A 118 8.747 4.244 23.828 1.00 65.25 O ATOM 1849 CB SER A 118 8.023 4.454 27.105 1.00 22.04 C ATOM 1850 OG SER A 118 7.737 3.277 27.841 1.00 21.14 O ATOM 0 H SER A 118 10.280 5.265 27.680 1.00 51.21 H new ATOM 0 HA SER A 118 9.368 3.178 26.014 1.00 74.33 H new ATOM 0 HB2 SER A 118 8.225 5.276 27.792 1.00 22.04 H new ATOM 0 HB3 SER A 118 7.152 4.739 26.515 1.00 22.04 H new ATOM 0 HG SER A 118 6.966 3.436 28.425 1.00 21.14 H new ATOM 1856 N ILE A 119 9.001 6.244 24.827 1.00 44.40 N ATOM 1857 CA ILE A 119 8.773 7.006 23.605 1.00 12.25 C ATOM 1858 C ILE A 119 9.926 6.827 22.623 1.00 25.12 C ATOM 1859 O ILE A 119 9.737 6.903 21.409 1.00 44.21 O ATOM 1860 CB ILE A 119 8.596 8.507 23.902 1.00 31.42 C ATOM 1861 CG1 ILE A 119 8.158 9.251 22.638 1.00 21.04 C ATOM 1862 CG2 ILE A 119 9.887 9.095 24.449 1.00 31.14 C ATOM 1863 CD1 ILE A 119 6.934 10.115 22.839 1.00 1.02 C ATOM 0 H ILE A 119 9.183 6.815 25.653 1.00 44.40 H new ATOM 0 HA ILE A 119 7.856 6.621 23.160 1.00 12.25 H new ATOM 0 HB ILE A 119 7.819 8.624 24.657 1.00 31.42 H new ATOM 0 HG12 ILE A 119 8.981 9.876 22.291 1.00 21.04 H new ATOM 0 HG13 ILE A 119 7.955 8.525 21.851 1.00 21.04 H new ATOM 0 HG21 ILE A 119 9.745 10.156 24.654 1.00 31.14 H new ATOM 0 HG22 ILE A 119 10.159 8.581 25.371 1.00 31.14 H new ATOM 0 HG23 ILE A 119 10.683 8.970 23.715 1.00 31.14 H new ATOM 0 HD11 ILE A 119 6.681 10.612 21.902 1.00 1.02 H new ATOM 0 HD12 ILE A 119 6.097 9.493 23.157 1.00 1.02 H new ATOM 0 HD13 ILE A 119 7.139 10.865 23.603 1.00 1.02 H new ATOM 1875 N GLN A 120 11.120 6.585 23.156 1.00 64.14 N ATOM 1876 CA GLN A 120 12.302 6.394 22.325 1.00 5.30 C ATOM 1877 C GLN A 120 12.223 5.077 21.560 1.00 61.34 C ATOM 1878 O GLN A 120 12.735 4.964 20.447 1.00 33.05 O ATOM 1879 CB GLN A 120 13.566 6.422 23.186 1.00 73.41 C ATOM 1880 CG GLN A 120 14.841 6.147 22.404 1.00 73.13 C ATOM 1881 CD GLN A 120 16.054 5.994 23.302 1.00 62.43 C ATOM 1882 OE1 GLN A 120 16.670 4.930 23.354 1.00 2.42 O ATOM 1883 NE2 GLN A 120 16.402 7.060 24.013 1.00 63.31 N ATOM 0 H GLN A 120 11.294 6.517 24.159 1.00 64.14 H new ATOM 0 HA GLN A 120 12.344 7.210 21.604 1.00 5.30 H new ATOM 0 HB2 GLN A 120 13.647 7.397 23.666 1.00 73.41 H new ATOM 0 HB3 GLN A 120 13.471 5.682 23.981 1.00 73.41 H new ATOM 0 HG2 GLN A 120 14.713 5.239 21.815 1.00 73.13 H new ATOM 0 HG3 GLN A 120 15.014 6.962 21.701 1.00 73.13 H new ATOM 0 HE21 GLN A 120 15.861 7.922 23.938 1.00 63.31 H new ATOM 0 HE22 GLN A 120 17.210 7.017 24.634 1.00 63.31 H new ATOM 1892 N GLN A 121 11.576 4.085 22.165 1.00 4.05 N ATOM 1893 CA GLN A 121 11.431 2.775 21.539 1.00 42.41 C ATOM 1894 C GLN A 121 10.839 2.903 20.139 1.00 11.51 C ATOM 1895 O GLN A 121 11.186 2.142 19.237 1.00 30.12 O ATOM 1896 CB GLN A 121 10.546 1.872 22.399 1.00 54.15 C ATOM 1897 CG GLN A 121 11.204 0.554 22.774 1.00 22.24 C ATOM 1898 CD GLN A 121 10.536 -0.639 22.119 1.00 73.24 C ATOM 1899 OE1 GLN A 121 9.309 -0.747 22.105 1.00 24.31 O ATOM 1900 NE2 GLN A 121 11.341 -1.543 21.572 1.00 50.23 N ATOM 0 H GLN A 121 11.145 4.163 23.086 1.00 4.05 H new ATOM 0 HA GLN A 121 12.422 2.328 21.455 1.00 42.41 H new ATOM 0 HB2 GLN A 121 10.274 2.405 23.310 1.00 54.15 H new ATOM 0 HB3 GLN A 121 9.620 1.666 21.862 1.00 54.15 H new ATOM 0 HG2 GLN A 121 12.255 0.582 22.485 1.00 22.24 H new ATOM 0 HG3 GLN A 121 11.175 0.433 23.857 1.00 22.24 H new ATOM 0 HE21 GLN A 121 12.352 -1.413 21.607 1.00 50.23 H new ATOM 0 HE22 GLN A 121 10.948 -2.367 21.117 1.00 50.23 H new ATOM 1909 N SER A 122 9.944 3.871 19.966 1.00 72.11 N ATOM 1910 CA SER A 122 9.300 4.095 18.678 1.00 22.04 C ATOM 1911 C SER A 122 10.317 4.556 17.636 1.00 73.42 C ATOM 1912 O SER A 122 10.316 4.081 16.500 1.00 73.42 O ATOM 1913 CB SER A 122 8.187 5.135 18.814 1.00 33.20 C ATOM 1914 OG SER A 122 7.394 5.189 17.640 1.00 53.00 O ATOM 0 H SER A 122 9.649 4.512 20.702 1.00 72.11 H new ATOM 0 HA SER A 122 8.867 3.151 18.347 1.00 22.04 H new ATOM 0 HB2 SER A 122 7.559 4.890 19.670 1.00 33.20 H new ATOM 0 HB3 SER A 122 8.622 6.115 19.008 1.00 33.20 H new ATOM 0 HG SER A 122 6.689 5.860 17.752 1.00 53.00 H new ATOM 1920 N ILE A 123 11.181 5.483 18.033 1.00 5.44 N ATOM 1921 CA ILE A 123 12.203 6.008 17.134 1.00 34.53 C ATOM 1922 C ILE A 123 13.252 4.946 16.816 1.00 74.25 C ATOM 1923 O ILE A 123 13.752 4.872 15.694 1.00 42.22 O ATOM 1924 CB ILE A 123 12.903 7.240 17.736 1.00 13.41 C ATOM 1925 CG1 ILE A 123 11.879 8.331 18.052 1.00 41.44 C ATOM 1926 CG2 ILE A 123 13.967 7.763 16.784 1.00 62.13 C ATOM 1927 CD1 ILE A 123 12.445 9.475 18.865 1.00 24.14 C ATOM 0 H ILE A 123 11.195 5.886 18.970 1.00 5.44 H new ATOM 0 HA ILE A 123 11.695 6.302 16.215 1.00 34.53 H new ATOM 0 HB ILE A 123 13.390 6.945 18.666 1.00 13.41 H new ATOM 0 HG12 ILE A 123 11.479 8.724 17.117 1.00 41.44 H new ATOM 0 HG13 ILE A 123 11.044 7.888 18.595 1.00 41.44 H new ATOM 0 HG21 ILE A 123 14.453 8.634 17.224 1.00 62.13 H new ATOM 0 HG22 ILE A 123 14.709 6.985 16.605 1.00 62.13 H new ATOM 0 HG23 ILE A 123 13.503 8.045 15.839 1.00 62.13 H new ATOM 0 HD11 ILE A 123 11.663 10.211 19.051 1.00 24.14 H new ATOM 0 HD12 ILE A 123 12.820 9.095 19.816 1.00 24.14 H new ATOM 0 HD13 ILE A 123 13.261 9.944 18.315 1.00 24.14 H new ATOM 1939 N GLU A 124 13.577 4.127 17.811 1.00 23.25 N ATOM 1940 CA GLU A 124 14.566 3.069 17.635 1.00 51.02 C ATOM 1941 C GLU A 124 14.161 2.128 16.504 1.00 10.21 C ATOM 1942 O GLU A 124 14.967 1.808 15.630 1.00 4.32 O ATOM 1943 CB GLU A 124 14.736 2.278 18.934 1.00 53.04 C ATOM 1944 CG GLU A 124 16.068 1.556 19.037 1.00 22.11 C ATOM 1945 CD GLU A 124 16.825 1.905 20.305 1.00 63.44 C ATOM 1946 OE1 GLU A 124 16.185 1.984 21.375 1.00 2.52 O ATOM 1947 OE2 GLU A 124 18.056 2.097 20.226 1.00 53.14 O ATOM 0 H GLU A 124 13.171 4.175 18.746 1.00 23.25 H new ATOM 0 HA GLU A 124 15.516 3.535 17.374 1.00 51.02 H new ATOM 0 HB2 GLU A 124 14.635 2.958 19.780 1.00 53.04 H new ATOM 0 HB3 GLU A 124 13.930 1.549 19.013 1.00 53.04 H new ATOM 0 HG2 GLU A 124 15.897 0.480 19.005 1.00 22.11 H new ATOM 0 HG3 GLU A 124 16.681 1.807 18.172 1.00 22.11 H new ATOM 1954 N ARG A 125 12.907 1.690 16.528 1.00 31.42 N ATOM 1955 CA ARG A 125 12.395 0.784 15.506 1.00 31.23 C ATOM 1956 C ARG A 125 12.181 1.519 14.185 1.00 53.20 C ATOM 1957 O ARG A 125 12.296 0.931 13.109 1.00 54.51 O ATOM 1958 CB ARG A 125 11.081 0.150 15.968 1.00 65.13 C ATOM 1959 CG ARG A 125 9.962 1.157 16.182 1.00 31.55 C ATOM 1960 CD ARG A 125 8.630 0.464 16.425 1.00 3.22 C ATOM 1961 NE ARG A 125 8.232 0.519 17.828 1.00 52.33 N ATOM 1962 CZ ARG A 125 7.074 0.053 18.284 1.00 4.11 C ATOM 1963 NH1 ARG A 125 6.206 -0.500 17.450 1.00 65.43 N ATOM 1964 NH2 ARG A 125 6.785 0.140 19.576 1.00 70.15 N ATOM 0 H ARG A 125 12.227 1.947 17.243 1.00 31.42 H new ATOM 0 HA ARG A 125 13.134 -0.002 15.349 1.00 31.23 H new ATOM 0 HB2 ARG A 125 10.761 -0.584 15.228 1.00 65.13 H new ATOM 0 HB3 ARG A 125 11.255 -0.390 16.898 1.00 65.13 H new ATOM 0 HG2 ARG A 125 10.202 1.795 17.033 1.00 31.55 H new ATOM 0 HG3 ARG A 125 9.882 1.806 15.310 1.00 31.55 H new ATOM 0 HD2 ARG A 125 7.861 0.933 15.811 1.00 3.22 H new ATOM 0 HD3 ARG A 125 8.700 -0.577 16.109 1.00 3.22 H new ATOM 0 HE ARG A 125 8.879 0.939 18.496 1.00 52.33 H new ATOM 0 HH11 ARG A 125 6.426 -0.569 16.456 1.00 65.43 H new ATOM 0 HH12 ARG A 125 5.318 -0.857 17.801 1.00 65.43 H new ATOM 0 HH21 ARG A 125 7.452 0.565 20.220 1.00 70.15 H new ATOM 0 HH22 ARG A 125 5.896 -0.218 19.925 1.00 70.15 H new ATOM 1978 N LEU A 126 11.869 2.807 14.276 1.00 64.23 N ATOM 1979 CA LEU A 126 11.639 3.623 13.088 1.00 53.44 C ATOM 1980 C LEU A 126 12.930 3.814 12.299 1.00 75.51 C ATOM 1981 O LEU A 126 12.972 3.577 11.091 1.00 61.42 O ATOM 1982 CB LEU A 126 11.065 4.985 13.486 1.00 4.03 C ATOM 1983 CG LEU A 126 9.543 5.058 13.623 1.00 2.34 C ATOM 1984 CD1 LEU A 126 9.116 6.442 14.085 1.00 51.31 C ATOM 1985 CD2 LEU A 126 8.872 4.703 12.305 1.00 34.31 C ATOM 0 H LEU A 126 11.769 3.309 15.159 1.00 64.23 H new ATOM 0 HA LEU A 126 10.922 3.103 12.453 1.00 53.44 H new ATOM 0 HB2 LEU A 126 11.510 5.281 14.436 1.00 4.03 H new ATOM 0 HB3 LEU A 126 11.379 5.720 12.745 1.00 4.03 H new ATOM 0 HG LEU A 126 9.229 4.333 14.374 1.00 2.34 H new ATOM 0 HD11 LEU A 126 8.030 6.476 14.177 1.00 51.31 H new ATOM 0 HD12 LEU A 126 9.569 6.659 15.052 1.00 51.31 H new ATOM 0 HD13 LEU A 126 9.442 7.185 13.357 1.00 51.31 H new ATOM 0 HD21 LEU A 126 7.790 4.760 12.421 1.00 34.31 H new ATOM 0 HD22 LEU A 126 9.192 5.404 11.534 1.00 34.31 H new ATOM 0 HD23 LEU A 126 9.153 3.691 12.015 1.00 34.31 H new ATOM 1997 N LEU A 127 13.982 4.239 12.989 1.00 51.03 N ATOM 1998 CA LEU A 127 15.276 4.459 12.353 1.00 34.04 C ATOM 1999 C LEU A 127 15.868 3.144 11.857 1.00 10.12 C ATOM 2000 O LEU A 127 16.583 3.111 10.855 1.00 43.41 O ATOM 2001 CB LEU A 127 16.241 5.128 13.333 1.00 71.13 C ATOM 2002 CG LEU A 127 15.831 6.512 13.840 1.00 74.20 C ATOM 2003 CD1 LEU A 127 16.901 7.083 14.756 1.00 45.41 C ATOM 2004 CD2 LEU A 127 15.568 7.451 12.672 1.00 20.32 C ATOM 0 H LEU A 127 13.965 4.438 13.989 1.00 51.03 H new ATOM 0 HA LEU A 127 15.126 5.115 11.496 1.00 34.04 H new ATOM 0 HB2 LEU A 127 16.367 4.471 14.193 1.00 71.13 H new ATOM 0 HB3 LEU A 127 17.215 5.213 12.851 1.00 71.13 H new ATOM 0 HG LEU A 127 14.909 6.410 14.413 1.00 74.20 H new ATOM 0 HD11 LEU A 127 16.592 8.068 15.107 1.00 45.41 H new ATOM 0 HD12 LEU A 127 17.040 6.421 15.610 1.00 45.41 H new ATOM 0 HD13 LEU A 127 17.839 7.171 14.209 1.00 45.41 H new ATOM 0 HD21 LEU A 127 15.278 8.431 13.051 1.00 20.32 H new ATOM 0 HD22 LEU A 127 16.473 7.548 12.072 1.00 20.32 H new ATOM 0 HD23 LEU A 127 14.765 7.048 12.055 1.00 20.32 H new