USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=22 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 28 GLN : amide:sc= -0.0614 K(o=-0.48,f=-2.3!) USER MOD Set 1.2: A 111 GLN : amide:sc= -0.419 X(o=-0.48,f=-0.039) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 66:sc= 1.25 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -163:sc=-0.00148 (180deg=-0.0657) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 29 SER OG : rot -66:sc= 1.02 USER MOD Single : A 30 CYS SG : rot -18:sc= 0.573 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.98 K(o=-2,f=-2.6) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.047 K(o=-0.047,f=-1.4!) USER MOD Single : A 43 THR OG1 : rot 86:sc= 1.02 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 46:sc= -0.417 USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 51 SER OG : rot -167:sc= -0.656 USER MOD Single : A 56 MET CE :methyl -110:sc= -1.47 (180deg=-6.44!) USER MOD Single : A 68 HIS : no HD1:sc= -0.104 K(o=-0.1,f=-0.78) USER MOD Single : A 80 TYR OH : rot -150:sc= -2.87 USER MOD Single : A 85 SER OG : rot 44:sc= 0.187 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 93 CYS SG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot 140:sc= -2.4! USER MOD Single : A 103 SER OG : rot 180:sc= -0.424 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 152:sc= 0.0223 (180deg=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0385) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 GLN : amide:sc= -0.635 K(o=-0.64,f=-2.3!) USER MOD Single : A 117 GLN : amide:sc=-0.00141 X(o=-0.0014,f=-0.046) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.358 X(o=-0.36,f=0) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot -77:sc= 0.209 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 9.375 13.027 4.465 1.00 32.34 N ATOM 136 CA ALA A 10 10.015 13.179 5.766 1.00 12.10 C ATOM 137 C ALA A 10 9.647 12.029 6.697 1.00 13.10 C ATOM 138 O ALA A 10 8.994 12.230 7.721 1.00 44.21 O ATOM 139 CB ALA A 10 9.629 14.511 6.392 1.00 34.23 C ATOM 0 HA ALA A 10 11.094 13.159 5.616 1.00 12.10 H new ATOM 0 HB1 ALA A 10 10.114 14.611 7.363 1.00 34.23 H new ATOM 0 HB2 ALA A 10 9.948 15.325 5.741 1.00 34.23 H new ATOM 0 HB3 ALA A 10 8.547 14.553 6.521 1.00 34.23 H new ATOM 145 N TYR A 11 10.067 10.823 6.333 1.00 63.13 N ATOM 146 CA TYR A 11 9.779 9.639 7.134 1.00 42.23 C ATOM 147 C TYR A 11 11.055 9.075 7.752 1.00 30.31 C ATOM 148 O TYR A 11 12.167 9.347 7.300 1.00 43.42 O ATOM 149 CB TYR A 11 9.100 8.569 6.276 1.00 1.13 C ATOM 150 CG TYR A 11 7.616 8.438 6.536 1.00 4.43 C ATOM 151 CD1 TYR A 11 6.772 9.536 6.433 1.00 11.33 C ATOM 152 CD2 TYR A 11 7.058 7.214 6.884 1.00 73.34 C ATOM 153 CE1 TYR A 11 5.416 9.421 6.669 1.00 64.23 C ATOM 154 CE2 TYR A 11 5.703 7.088 7.121 1.00 73.03 C ATOM 155 CZ TYR A 11 4.886 8.195 7.013 1.00 2.00 C ATOM 156 OH TYR A 11 3.536 8.075 7.249 1.00 71.52 O ATOM 0 H TYR A 11 10.608 10.639 5.488 1.00 63.13 H new ATOM 0 HA TYR A 11 9.105 9.932 7.939 1.00 42.23 H new ATOM 0 HB2 TYR A 11 9.257 8.805 5.224 1.00 1.13 H new ATOM 0 HB3 TYR A 11 9.579 7.608 6.462 1.00 1.13 H new ATOM 0 HD1 TYR A 11 7.183 10.497 6.163 1.00 11.33 H new ATOM 0 HD2 TYR A 11 7.695 6.346 6.971 1.00 73.34 H new ATOM 0 HE1 TYR A 11 4.775 10.286 6.585 1.00 64.23 H new ATOM 0 HE2 TYR A 11 5.285 6.129 7.389 1.00 73.03 H new ATOM 0 HH TYR A 11 3.325 7.146 7.479 1.00 71.52 H new ATOM 166 N PRO A 12 10.892 8.271 8.813 1.00 41.14 N ATOM 167 CA PRO A 12 9.573 7.941 9.361 1.00 62.10 C ATOM 168 C PRO A 12 8.913 9.136 10.042 1.00 70.13 C ATOM 169 O PRO A 12 9.588 10.087 10.439 1.00 15.14 O ATOM 170 CB PRO A 12 9.877 6.844 10.383 1.00 43.32 C ATOM 171 CG PRO A 12 11.294 7.079 10.781 1.00 74.22 C ATOM 172 CD PRO A 12 11.983 7.621 9.559 1.00 73.02 C ATOM 0 HA PRO A 12 8.874 7.635 8.583 1.00 62.10 H new ATOM 0 HB2 PRO A 12 9.209 6.907 11.242 1.00 43.32 H new ATOM 0 HB3 PRO A 12 9.747 5.852 9.950 1.00 43.32 H new ATOM 0 HG2 PRO A 12 11.355 7.785 11.609 1.00 74.22 H new ATOM 0 HG3 PRO A 12 11.764 6.154 11.116 1.00 74.22 H new ATOM 0 HD2 PRO A 12 12.768 8.330 9.822 1.00 73.02 H new ATOM 0 HD3 PRO A 12 12.451 6.828 8.976 1.00 73.02 H new ATOM 180 N LEU A 13 7.593 9.080 10.176 1.00 52.15 N ATOM 181 CA LEU A 13 6.842 10.157 10.810 1.00 74.20 C ATOM 182 C LEU A 13 5.990 9.624 11.959 1.00 52.42 C ATOM 183 O LEU A 13 5.492 8.500 11.906 1.00 4.44 O ATOM 184 CB LEU A 13 5.951 10.858 9.783 1.00 5.11 C ATOM 185 CG LEU A 13 5.244 12.127 10.262 1.00 72.24 C ATOM 186 CD1 LEU A 13 6.201 13.308 10.250 1.00 63.42 C ATOM 187 CD2 LEU A 13 4.025 12.417 9.397 1.00 63.33 C ATOM 0 H LEU A 13 7.020 8.300 9.854 1.00 52.15 H new ATOM 0 HA LEU A 13 7.556 10.875 11.213 1.00 74.20 H new ATOM 0 HB2 LEU A 13 6.561 11.111 8.916 1.00 5.11 H new ATOM 0 HB3 LEU A 13 5.194 10.150 9.445 1.00 5.11 H new ATOM 0 HG LEU A 13 4.908 11.968 11.287 1.00 72.24 H new ATOM 0 HD11 LEU A 13 5.680 14.202 10.594 1.00 63.42 H new ATOM 0 HD12 LEU A 13 7.042 13.101 10.911 1.00 63.42 H new ATOM 0 HD13 LEU A 13 6.567 13.469 9.236 1.00 63.42 H new ATOM 0 HD21 LEU A 13 3.534 13.323 9.752 1.00 63.33 H new ATOM 0 HD22 LEU A 13 4.338 12.555 8.362 1.00 63.33 H new ATOM 0 HD23 LEU A 13 3.329 11.580 9.457 1.00 63.33 H new ATOM 199 N ALA A 14 5.826 10.441 12.995 1.00 43.44 N ATOM 200 CA ALA A 14 5.032 10.053 14.153 1.00 34.24 C ATOM 201 C ALA A 14 3.578 10.482 13.990 1.00 20.45 C ATOM 202 O ALA A 14 3.281 11.670 13.863 1.00 14.31 O ATOM 203 CB ALA A 14 5.621 10.653 15.421 1.00 24.12 C ATOM 0 H ALA A 14 6.232 11.375 13.055 1.00 43.44 H new ATOM 0 HA ALA A 14 5.057 8.966 14.232 1.00 34.24 H new ATOM 0 HB1 ALA A 14 5.018 10.355 16.279 1.00 24.12 H new ATOM 0 HB2 ALA A 14 6.642 10.294 15.553 1.00 24.12 H new ATOM 0 HB3 ALA A 14 5.626 11.740 15.341 1.00 24.12 H new ATOM 209 N ASP A 15 2.674 9.508 13.995 1.00 24.14 N ATOM 210 CA ASP A 15 1.250 9.785 13.848 1.00 4.30 C ATOM 211 C ASP A 15 0.781 10.790 14.896 1.00 15.10 C ATOM 212 O ASP A 15 1.359 10.889 15.977 1.00 23.31 O ATOM 213 CB ASP A 15 0.442 8.492 13.966 1.00 1.50 C ATOM 214 CG ASP A 15 0.579 7.847 15.331 1.00 64.52 C ATOM 215 OD1 ASP A 15 1.718 7.515 15.719 1.00 31.12 O ATOM 216 OD2 ASP A 15 -0.454 7.673 16.011 1.00 71.20 O ATOM 0 H ASP A 15 2.902 8.519 14.099 1.00 24.14 H new ATOM 0 HA ASP A 15 1.089 10.216 12.860 1.00 4.30 H new ATOM 0 HB2 ASP A 15 -0.609 8.705 13.772 1.00 1.50 H new ATOM 0 HB3 ASP A 15 0.772 7.790 13.201 1.00 1.50 H new ATOM 221 N ALA A 16 -0.270 11.534 14.565 1.00 62.23 N ATOM 222 CA ALA A 16 -0.817 12.530 15.478 1.00 12.10 C ATOM 223 C ALA A 16 -1.239 11.894 16.798 1.00 43.32 C ATOM 224 O ALA A 16 -1.043 12.471 17.868 1.00 13.51 O ATOM 225 CB ALA A 16 -1.996 13.244 14.833 1.00 61.40 C ATOM 0 H ALA A 16 -0.759 11.466 13.672 1.00 62.23 H new ATOM 0 HA ALA A 16 -0.036 13.259 15.691 1.00 12.10 H new ATOM 0 HB1 ALA A 16 -2.395 13.985 15.525 1.00 61.40 H new ATOM 0 HB2 ALA A 16 -1.666 13.740 13.921 1.00 61.40 H new ATOM 0 HB3 ALA A 16 -2.772 12.518 14.591 1.00 61.40 H new ATOM 231 N HIS A 17 -1.817 10.700 16.716 1.00 12.40 N ATOM 232 CA HIS A 17 -2.267 9.984 17.905 1.00 1.34 C ATOM 233 C HIS A 17 -1.122 9.812 18.899 1.00 31.32 C ATOM 234 O HIS A 17 -1.302 9.991 20.105 1.00 13.54 O ATOM 235 CB HIS A 17 -2.833 8.618 17.520 1.00 55.03 C ATOM 236 CG HIS A 17 -4.092 8.264 18.249 1.00 35.42 C ATOM 237 ND1 HIS A 17 -4.121 7.944 19.591 1.00 10.43 N ATOM 238 CD2 HIS A 17 -5.373 8.183 17.817 1.00 31.43 C ATOM 239 CE1 HIS A 17 -5.364 7.680 19.952 1.00 13.55 C ATOM 240 NE2 HIS A 17 -6.143 7.818 18.895 1.00 15.02 N ATOM 0 H HIS A 17 -1.985 10.208 15.839 1.00 12.40 H new ATOM 0 HA HIS A 17 -3.052 10.573 18.379 1.00 1.34 H new ATOM 0 HB2 HIS A 17 -3.028 8.604 16.448 1.00 55.03 H new ATOM 0 HB3 HIS A 17 -2.081 7.854 17.718 1.00 55.03 H new ATOM 0 HD2 HIS A 17 -5.724 8.370 16.813 1.00 31.43 H new ATOM 0 HE1 HIS A 17 -5.688 7.399 20.943 1.00 13.55 H new ATOM 0 HE2 HIS A 17 -7.153 7.677 18.881 1.00 15.02 H new ATOM 248 N LEU A 18 0.052 9.463 18.387 1.00 70.22 N ATOM 249 CA LEU A 18 1.226 9.265 19.231 1.00 63.11 C ATOM 250 C LEU A 18 1.872 10.600 19.586 1.00 2.13 C ATOM 251 O LEU A 18 2.379 10.782 20.694 1.00 62.24 O ATOM 252 CB LEU A 18 2.242 8.367 18.523 1.00 62.24 C ATOM 253 CG LEU A 18 3.403 7.860 19.380 1.00 14.42 C ATOM 254 CD1 LEU A 18 3.387 6.342 19.458 1.00 32.32 C ATOM 255 CD2 LEU A 18 4.730 8.354 18.825 1.00 41.55 C ATOM 0 H LEU A 18 0.217 9.311 17.392 1.00 70.22 H new ATOM 0 HA LEU A 18 0.903 8.781 20.153 1.00 63.11 H new ATOM 0 HB2 LEU A 18 1.713 7.505 18.116 1.00 62.24 H new ATOM 0 HB3 LEU A 18 2.654 8.916 17.677 1.00 62.24 H new ATOM 0 HG LEU A 18 3.284 8.255 20.389 1.00 14.42 H new ATOM 0 HD11 LEU A 18 4.220 6.000 20.072 1.00 32.32 H new ATOM 0 HD12 LEU A 18 2.449 6.010 19.903 1.00 32.32 H new ATOM 0 HD13 LEU A 18 3.480 5.925 18.455 1.00 32.32 H new ATOM 0 HD21 LEU A 18 5.545 7.984 19.447 1.00 41.55 H new ATOM 0 HD22 LEU A 18 4.857 7.989 17.806 1.00 41.55 H new ATOM 0 HD23 LEU A 18 4.741 9.444 18.824 1.00 41.55 H new ATOM 267 N THR A 19 1.848 11.534 18.640 1.00 21.43 N ATOM 268 CA THR A 19 2.429 12.854 18.854 1.00 44.44 C ATOM 269 C THR A 19 1.803 13.542 20.061 1.00 72.23 C ATOM 270 O THR A 19 2.421 14.401 20.689 1.00 30.35 O ATOM 271 CB THR A 19 2.254 13.752 17.616 1.00 53.44 C ATOM 272 OG1 THR A 19 2.868 13.140 16.475 1.00 32.13 O ATOM 273 CG2 THR A 19 2.865 15.125 17.851 1.00 0.21 C ATOM 0 H THR A 19 1.432 11.401 17.718 1.00 21.43 H new ATOM 0 HA THR A 19 3.493 12.705 19.037 1.00 44.44 H new ATOM 0 HB THR A 19 1.187 13.874 17.432 1.00 53.44 H new ATOM 0 HG1 THR A 19 2.389 12.315 16.249 1.00 32.13 H new ATOM 0 HG21 THR A 19 2.729 15.741 16.962 1.00 0.21 H new ATOM 0 HG22 THR A 19 2.375 15.601 18.701 1.00 0.21 H new ATOM 0 HG23 THR A 19 3.930 15.019 18.059 1.00 0.21 H new ATOM 281 N LYS A 20 0.571 13.160 20.380 1.00 40.31 N ATOM 282 CA LYS A 20 -0.141 13.740 21.513 1.00 61.14 C ATOM 283 C LYS A 20 0.699 13.655 22.784 1.00 41.33 C ATOM 284 O LYS A 20 0.797 14.621 23.541 1.00 62.33 O ATOM 285 CB LYS A 20 -1.476 13.022 21.724 1.00 22.52 C ATOM 286 CG LYS A 20 -2.675 13.809 21.223 1.00 42.41 C ATOM 287 CD LYS A 20 -3.957 13.002 21.331 1.00 51.14 C ATOM 288 CE LYS A 20 -5.116 13.857 21.818 1.00 74.12 C ATOM 289 NZ LYS A 20 -5.457 14.934 20.848 1.00 4.11 N ATOM 0 H LYS A 20 0.045 12.451 19.870 1.00 40.31 H new ATOM 0 HA LYS A 20 -0.330 14.790 21.292 1.00 61.14 H new ATOM 0 HB2 LYS A 20 -1.446 12.059 21.215 1.00 22.52 H new ATOM 0 HB3 LYS A 20 -1.605 12.817 22.787 1.00 22.52 H new ATOM 0 HG2 LYS A 20 -2.774 14.729 21.799 1.00 42.41 H new ATOM 0 HG3 LYS A 20 -2.513 14.099 20.185 1.00 42.41 H new ATOM 0 HD2 LYS A 20 -4.202 12.575 20.358 1.00 51.14 H new ATOM 0 HD3 LYS A 20 -3.806 12.168 22.016 1.00 51.14 H new ATOM 0 HE2 LYS A 20 -5.989 13.226 21.981 1.00 74.12 H new ATOM 0 HE3 LYS A 20 -4.860 14.302 22.780 1.00 74.12 H new ATOM 0 HZ1 LYS A 20 -6.252 15.494 21.217 1.00 4.11 H new ATOM 0 HZ2 LYS A 20 -4.632 15.552 20.711 1.00 4.11 H new ATOM 0 HZ3 LYS A 20 -5.726 14.509 19.938 1.00 4.11 H new ATOM 303 N LYS A 21 1.306 12.495 23.011 1.00 72.54 N ATOM 304 CA LYS A 21 2.140 12.285 24.188 1.00 45.13 C ATOM 305 C LYS A 21 3.468 13.024 24.053 1.00 51.21 C ATOM 306 O LYS A 21 4.012 13.530 25.035 1.00 31.21 O ATOM 307 CB LYS A 21 2.396 10.790 24.397 1.00 14.13 C ATOM 308 CG LYS A 21 1.329 10.102 25.231 1.00 23.34 C ATOM 309 CD LYS A 21 1.291 8.607 24.964 1.00 62.22 C ATOM 310 CE LYS A 21 -0.064 8.171 24.429 1.00 64.23 C ATOM 311 NZ LYS A 21 -1.144 8.351 25.439 1.00 63.43 N ATOM 0 H LYS A 21 1.236 11.685 22.395 1.00 72.54 H new ATOM 0 HA LYS A 21 1.609 12.682 25.054 1.00 45.13 H new ATOM 0 HB2 LYS A 21 2.457 10.301 23.425 1.00 14.13 H new ATOM 0 HB3 LYS A 21 3.364 10.660 24.881 1.00 14.13 H new ATOM 0 HG2 LYS A 21 1.523 10.279 26.289 1.00 23.34 H new ATOM 0 HG3 LYS A 21 0.355 10.537 25.008 1.00 23.34 H new ATOM 0 HD2 LYS A 21 2.068 8.345 24.246 1.00 62.22 H new ATOM 0 HD3 LYS A 21 1.511 8.066 25.884 1.00 62.22 H new ATOM 0 HE2 LYS A 21 -0.304 8.747 23.535 1.00 64.23 H new ATOM 0 HE3 LYS A 21 -0.017 7.124 24.131 1.00 64.23 H new ATOM 0 HZ1 LYS A 21 -1.976 7.792 25.161 1.00 63.43 H new ATOM 0 HZ2 LYS A 21 -0.807 8.030 26.369 1.00 63.43 H new ATOM 0 HZ3 LYS A 21 -1.405 9.356 25.493 1.00 63.43 H new ATOM 325 N LEU A 22 3.985 13.082 22.830 1.00 11.05 N ATOM 326 CA LEU A 22 5.249 13.762 22.566 1.00 62.04 C ATOM 327 C LEU A 22 5.198 15.211 23.040 1.00 55.15 C ATOM 328 O LEU A 22 6.134 15.701 23.673 1.00 33.23 O ATOM 329 CB LEU A 22 5.574 13.712 21.072 1.00 3.04 C ATOM 330 CG LEU A 22 6.802 14.508 20.626 1.00 72.31 C ATOM 331 CD1 LEU A 22 7.625 13.704 19.632 1.00 5.41 C ATOM 332 CD2 LEU A 22 6.384 15.840 20.021 1.00 62.21 C ATOM 0 H LEU A 22 3.549 12.667 22.007 1.00 11.05 H new ATOM 0 HA LEU A 22 6.034 13.247 23.120 1.00 62.04 H new ATOM 0 HB2 LEU A 22 5.718 12.670 20.786 1.00 3.04 H new ATOM 0 HB3 LEU A 22 4.708 14.078 20.520 1.00 3.04 H new ATOM 0 HG LEU A 22 7.420 14.708 21.501 1.00 72.31 H new ATOM 0 HD11 LEU A 22 8.495 14.285 19.325 1.00 5.41 H new ATOM 0 HD12 LEU A 22 7.955 12.776 20.099 1.00 5.41 H new ATOM 0 HD13 LEU A 22 7.016 13.473 18.758 1.00 5.41 H new ATOM 0 HD21 LEU A 22 7.271 16.392 19.710 1.00 62.21 H new ATOM 0 HD22 LEU A 22 5.745 15.662 19.156 1.00 62.21 H new ATOM 0 HD23 LEU A 22 5.837 16.421 20.763 1.00 62.21 H new ATOM 344 N LEU A 23 4.099 15.891 22.730 1.00 72.34 N ATOM 345 CA LEU A 23 3.924 17.283 23.126 1.00 4.21 C ATOM 346 C LEU A 23 4.048 17.439 24.638 1.00 32.34 C ATOM 347 O LEU A 23 4.698 18.365 25.126 1.00 64.20 O ATOM 348 CB LEU A 23 2.562 17.800 22.658 1.00 5.12 C ATOM 349 CG LEU A 23 2.353 17.866 21.146 1.00 41.14 C ATOM 350 CD1 LEU A 23 0.951 17.404 20.780 1.00 11.44 C ATOM 351 CD2 LEU A 23 2.603 19.277 20.633 1.00 61.30 C ATOM 0 H LEU A 23 3.316 15.500 22.206 1.00 72.34 H new ATOM 0 HA LEU A 23 4.711 17.871 22.653 1.00 4.21 H new ATOM 0 HB2 LEU A 23 1.788 17.162 23.084 1.00 5.12 H new ATOM 0 HB3 LEU A 23 2.414 18.799 23.069 1.00 5.12 H new ATOM 0 HG LEU A 23 3.070 17.196 20.670 1.00 41.14 H new ATOM 0 HD11 LEU A 23 0.821 17.458 19.699 1.00 11.44 H new ATOM 0 HD12 LEU A 23 0.809 16.376 21.112 1.00 11.44 H new ATOM 0 HD13 LEU A 23 0.217 18.047 21.266 1.00 11.44 H new ATOM 0 HD21 LEU A 23 2.449 19.304 19.554 1.00 61.30 H new ATOM 0 HD22 LEU A 23 1.911 19.968 21.116 1.00 61.30 H new ATOM 0 HD23 LEU A 23 3.628 19.571 20.861 1.00 61.30 H new ATOM 363 N ASP A 24 3.423 16.528 25.376 1.00 54.43 N ATOM 364 CA ASP A 24 3.465 16.562 26.833 1.00 44.42 C ATOM 365 C ASP A 24 4.895 16.391 27.338 1.00 31.31 C ATOM 366 O ASP A 24 5.244 16.868 28.419 1.00 53.00 O ATOM 367 CB ASP A 24 2.570 15.468 27.417 1.00 52.51 C ATOM 368 CG ASP A 24 1.644 15.993 28.496 1.00 45.23 C ATOM 369 OD1 ASP A 24 2.066 16.032 29.670 1.00 23.21 O ATOM 370 OD2 ASP A 24 0.497 16.362 28.168 1.00 51.43 O ATOM 0 H ASP A 24 2.881 15.756 24.988 1.00 54.43 H new ATOM 0 HA ASP A 24 3.096 17.534 27.160 1.00 44.42 H new ATOM 0 HB2 ASP A 24 1.977 15.023 26.618 1.00 52.51 H new ATOM 0 HB3 ASP A 24 3.193 14.675 27.831 1.00 52.51 H new ATOM 375 N LEU A 25 5.717 15.706 26.552 1.00 40.41 N ATOM 376 CA LEU A 25 7.108 15.471 26.920 1.00 42.13 C ATOM 377 C LEU A 25 7.843 16.788 27.143 1.00 51.12 C ATOM 378 O LEU A 25 8.591 16.938 28.109 1.00 32.35 O ATOM 379 CB LEU A 25 7.814 14.659 25.831 1.00 31.40 C ATOM 380 CG LEU A 25 9.000 13.809 26.291 1.00 13.34 C ATOM 381 CD1 LEU A 25 10.111 14.694 26.835 1.00 23.40 C ATOM 382 CD2 LEU A 25 8.559 12.799 27.339 1.00 70.15 C ATOM 0 H LEU A 25 5.444 15.303 25.655 1.00 40.41 H new ATOM 0 HA LEU A 25 7.120 14.907 27.853 1.00 42.13 H new ATOM 0 HB2 LEU A 25 7.081 14.002 25.363 1.00 31.40 H new ATOM 0 HB3 LEU A 25 8.163 15.347 25.061 1.00 31.40 H new ATOM 0 HG LEU A 25 9.386 13.263 25.430 1.00 13.34 H new ATOM 0 HD11 LEU A 25 10.946 14.072 27.157 1.00 23.40 H new ATOM 0 HD12 LEU A 25 10.447 15.377 26.055 1.00 23.40 H new ATOM 0 HD13 LEU A 25 9.737 15.268 27.683 1.00 23.40 H new ATOM 0 HD21 LEU A 25 9.416 12.204 27.654 1.00 70.15 H new ATOM 0 HD22 LEU A 25 8.146 13.325 28.200 1.00 70.15 H new ATOM 0 HD23 LEU A 25 7.798 12.144 26.915 1.00 70.15 H new ATOM 394 N VAL A 26 7.623 17.742 26.244 1.00 2.43 N ATOM 395 CA VAL A 26 8.262 19.050 26.345 1.00 52.14 C ATOM 396 C VAL A 26 7.975 19.699 27.695 1.00 13.50 C ATOM 397 O VAL A 26 8.892 20.121 28.398 1.00 71.13 O ATOM 398 CB VAL A 26 7.790 19.993 25.222 1.00 33.41 C ATOM 399 CG1 VAL A 26 8.475 21.346 25.338 1.00 41.14 C ATOM 400 CG2 VAL A 26 8.047 19.369 23.859 1.00 23.14 C ATOM 0 H VAL A 26 7.008 17.634 25.438 1.00 2.43 H new ATOM 0 HA VAL A 26 9.335 18.887 26.245 1.00 52.14 H new ATOM 0 HB VAL A 26 6.716 20.147 25.327 1.00 33.41 H new ATOM 0 HG11 VAL A 26 8.129 21.999 24.536 1.00 41.14 H new ATOM 0 HG12 VAL A 26 8.233 21.795 26.301 1.00 41.14 H new ATOM 0 HG13 VAL A 26 9.554 21.215 25.259 1.00 41.14 H new ATOM 0 HG21 VAL A 26 7.707 20.049 23.078 1.00 23.14 H new ATOM 0 HG22 VAL A 26 9.114 19.183 23.739 1.00 23.14 H new ATOM 0 HG23 VAL A 26 7.504 18.427 23.782 1.00 23.14 H new ATOM 410 N GLN A 27 6.697 19.774 28.048 1.00 75.32 N ATOM 411 CA GLN A 27 6.289 20.372 29.314 1.00 3.00 C ATOM 412 C GLN A 27 6.845 19.582 30.494 1.00 33.41 C ATOM 413 O GLN A 27 7.116 20.143 31.556 1.00 53.31 O ATOM 414 CB GLN A 27 4.763 20.439 29.403 1.00 33.03 C ATOM 415 CG GLN A 27 4.256 21.093 30.678 1.00 21.50 C ATOM 416 CD GLN A 27 3.429 20.150 31.529 1.00 42.04 C ATOM 417 OE1 GLN A 27 3.869 19.048 31.861 1.00 14.21 O ATOM 418 NE2 GLN A 27 2.224 20.577 31.888 1.00 42.43 N ATOM 0 H GLN A 27 5.926 19.429 27.476 1.00 75.32 H new ATOM 0 HA GLN A 27 6.693 21.384 29.355 1.00 3.00 H new ATOM 0 HB2 GLN A 27 4.381 20.992 28.545 1.00 33.03 H new ATOM 0 HB3 GLN A 27 4.359 19.429 29.337 1.00 33.03 H new ATOM 0 HG2 GLN A 27 5.105 21.452 31.260 1.00 21.50 H new ATOM 0 HG3 GLN A 27 3.655 21.965 30.420 1.00 21.50 H new ATOM 0 HE21 GLN A 27 1.899 21.497 31.591 1.00 42.43 H new ATOM 0 HE22 GLN A 27 1.623 19.985 32.461 1.00 42.43 H new ATOM 427 N GLN A 28 7.012 18.278 30.300 1.00 61.34 N ATOM 428 CA GLN A 28 7.535 17.411 31.349 1.00 71.42 C ATOM 429 C GLN A 28 9.036 17.611 31.523 1.00 62.44 C ATOM 430 O GLN A 28 9.567 17.470 32.624 1.00 3.43 O ATOM 431 CB GLN A 28 7.237 15.945 31.025 1.00 3.52 C ATOM 432 CG GLN A 28 6.194 15.320 31.936 1.00 32.34 C ATOM 433 CD GLN A 28 6.748 14.965 33.301 1.00 63.23 C ATOM 434 OE1 GLN A 28 7.618 15.658 33.830 1.00 12.31 O ATOM 435 NE2 GLN A 28 6.248 13.880 33.881 1.00 34.14 N ATOM 0 H GLN A 28 6.793 17.799 29.427 1.00 61.34 H new ATOM 0 HA GLN A 28 7.041 17.676 32.284 1.00 71.42 H new ATOM 0 HB2 GLN A 28 6.896 15.872 29.992 1.00 3.52 H new ATOM 0 HB3 GLN A 28 8.161 15.371 31.097 1.00 3.52 H new ATOM 0 HG2 GLN A 28 5.360 16.012 32.055 1.00 32.34 H new ATOM 0 HG3 GLN A 28 5.797 14.421 31.464 1.00 32.34 H new ATOM 0 HE21 GLN A 28 5.528 13.334 33.407 1.00 34.14 H new ATOM 0 HE22 GLN A 28 6.584 13.592 34.800 1.00 34.14 H new ATOM 444 N SER A 29 9.716 17.939 30.428 1.00 74.34 N ATOM 445 CA SER A 29 11.158 18.154 30.459 1.00 35.43 C ATOM 446 C SER A 29 11.499 19.432 31.219 1.00 54.52 C ATOM 447 O SER A 29 12.327 19.423 32.130 1.00 64.12 O ATOM 448 CB SER A 29 11.713 18.229 29.035 1.00 51.02 C ATOM 449 OG SER A 29 13.119 18.404 29.046 1.00 2.11 O ATOM 0 H SER A 29 9.291 18.062 29.509 1.00 74.34 H new ATOM 0 HA SER A 29 11.617 17.311 30.976 1.00 35.43 H new ATOM 0 HB2 SER A 29 11.461 17.317 28.494 1.00 51.02 H new ATOM 0 HB3 SER A 29 11.244 19.056 28.501 1.00 51.02 H new ATOM 0 HG SER A 29 13.337 19.278 29.432 1.00 2.11 H new ATOM 455 N CYS A 30 10.857 20.530 30.836 1.00 51.10 N ATOM 456 CA CYS A 30 11.094 21.818 31.480 1.00 74.13 C ATOM 457 C CYS A 30 10.665 21.781 32.943 1.00 62.02 C ATOM 458 O CYS A 30 11.193 22.519 33.774 1.00 41.45 O ATOM 459 CB CYS A 30 10.340 22.926 30.743 1.00 13.01 C ATOM 460 SG CYS A 30 8.540 22.812 30.880 1.00 42.21 S ATOM 0 H CYS A 30 10.169 20.555 30.084 1.00 51.10 H new ATOM 0 HA CYS A 30 12.163 22.026 31.439 1.00 74.13 H new ATOM 0 HB2 CYS A 30 10.663 23.891 31.133 1.00 13.01 H new ATOM 0 HB3 CYS A 30 10.616 22.899 29.689 1.00 13.01 H new ATOM 0 HG CYS A 30 8.208 21.611 31.251 1.00 42.21 H new ATOM 466 N ASN A 31 9.703 20.917 33.250 1.00 34.30 N ATOM 467 CA ASN A 31 9.201 20.785 34.613 1.00 65.52 C ATOM 468 C ASN A 31 10.304 20.311 35.555 1.00 62.43 C ATOM 469 O ASN A 31 10.283 20.605 36.750 1.00 23.22 O ATOM 470 CB ASN A 31 8.025 19.808 34.654 1.00 51.24 C ATOM 471 CG ASN A 31 7.478 19.618 36.056 1.00 41.31 C ATOM 472 OD1 ASN A 31 7.423 20.561 36.845 1.00 22.51 O ATOM 473 ND2 ASN A 31 7.073 18.393 36.372 1.00 30.11 N ATOM 0 H ASN A 31 9.256 20.298 32.574 1.00 34.30 H new ATOM 0 HA ASN A 31 8.861 21.766 34.945 1.00 65.52 H new ATOM 0 HB2 ASN A 31 7.230 20.173 34.004 1.00 51.24 H new ATOM 0 HB3 ASN A 31 8.343 18.844 34.258 1.00 51.24 H new ATOM 0 HD21 ASN A 31 6.698 18.204 37.301 1.00 30.11 H new ATOM 0 HD22 ASN A 31 7.137 17.642 35.685 1.00 30.11 H new ATOM 480 N TYR A 32 11.265 19.576 35.009 1.00 43.34 N ATOM 481 CA TYR A 32 12.375 19.059 35.800 1.00 51.33 C ATOM 482 C TYR A 32 13.606 19.949 35.658 1.00 51.01 C ATOM 483 O TYR A 32 14.739 19.494 35.819 1.00 13.30 O ATOM 484 CB TYR A 32 12.714 17.630 35.370 1.00 53.53 C ATOM 485 CG TYR A 32 12.641 16.625 36.496 1.00 14.12 C ATOM 486 CD1 TYR A 32 13.655 16.533 37.440 1.00 1.44 C ATOM 487 CD2 TYR A 32 11.555 15.767 36.617 1.00 73.05 C ATOM 488 CE1 TYR A 32 13.592 15.616 38.470 1.00 62.10 C ATOM 489 CE2 TYR A 32 11.482 14.846 37.645 1.00 12.31 C ATOM 490 CZ TYR A 32 12.504 14.775 38.569 1.00 53.42 C ATOM 491 OH TYR A 32 12.437 13.860 39.596 1.00 53.34 O ATOM 0 H TYR A 32 11.298 19.324 34.021 1.00 43.34 H new ATOM 0 HA TYR A 32 12.070 19.054 36.847 1.00 51.33 H new ATOM 0 HB2 TYR A 32 12.029 17.326 34.578 1.00 53.53 H new ATOM 0 HB3 TYR A 32 13.718 17.616 34.946 1.00 53.53 H new ATOM 0 HD1 TYR A 32 14.508 17.191 37.367 1.00 1.44 H new ATOM 0 HD2 TYR A 32 10.754 15.821 35.895 1.00 73.05 H new ATOM 0 HE1 TYR A 32 14.391 15.558 39.194 1.00 62.10 H new ATOM 0 HE2 TYR A 32 10.631 14.186 37.724 1.00 12.31 H new ATOM 0 HH TYR A 32 11.606 13.346 39.522 1.00 53.34 H new ATOM 501 N LYS A 33 13.375 21.223 35.357 1.00 64.41 N ATOM 502 CA LYS A 33 14.462 22.181 35.197 1.00 54.40 C ATOM 503 C LYS A 33 15.439 21.718 34.122 1.00 44.52 C ATOM 504 O LYS A 33 16.641 21.971 34.213 1.00 72.44 O ATOM 505 CB LYS A 33 15.200 22.374 36.523 1.00 53.10 C ATOM 506 CG LYS A 33 15.455 23.831 36.871 1.00 34.30 C ATOM 507 CD LYS A 33 16.141 23.971 38.219 1.00 63.21 C ATOM 508 CE LYS A 33 16.405 25.429 38.562 1.00 50.24 C ATOM 509 NZ LYS A 33 15.955 25.765 39.941 1.00 73.23 N ATOM 0 H LYS A 33 12.444 21.616 35.219 1.00 64.41 H new ATOM 0 HA LYS A 33 14.031 23.133 34.887 1.00 54.40 H new ATOM 0 HB2 LYS A 33 14.619 21.914 37.323 1.00 53.10 H new ATOM 0 HB3 LYS A 33 16.153 21.848 36.479 1.00 53.10 H new ATOM 0 HG2 LYS A 33 16.073 24.288 36.098 1.00 34.30 H new ATOM 0 HG3 LYS A 33 14.510 24.373 36.885 1.00 34.30 H new ATOM 0 HD2 LYS A 33 15.519 23.521 38.993 1.00 63.21 H new ATOM 0 HD3 LYS A 33 17.083 23.423 38.208 1.00 63.21 H new ATOM 0 HE2 LYS A 33 17.471 25.637 38.467 1.00 50.24 H new ATOM 0 HE3 LYS A 33 15.890 26.069 37.846 1.00 50.24 H new ATOM 0 HZ1 LYS A 33 16.152 26.767 40.136 1.00 73.23 H new ATOM 0 HZ2 LYS A 33 14.933 25.591 40.025 1.00 73.23 H new ATOM 0 HZ3 LYS A 33 16.465 25.172 40.627 1.00 73.23 H new ATOM 523 N GLN A 34 14.917 21.041 33.103 1.00 21.35 N ATOM 524 CA GLN A 34 15.745 20.545 32.012 1.00 52.44 C ATOM 525 C GLN A 34 15.106 20.852 30.661 1.00 52.14 C ATOM 526 O GLN A 34 13.907 20.647 30.469 1.00 61.01 O ATOM 527 CB GLN A 34 15.965 19.038 32.154 1.00 60.02 C ATOM 528 CG GLN A 34 17.315 18.674 32.749 1.00 44.43 C ATOM 529 CD GLN A 34 17.301 17.333 33.456 1.00 15.33 C ATOM 530 OE1 GLN A 34 17.756 17.212 34.593 1.00 32.33 O ATOM 531 NE2 GLN A 34 16.775 16.316 32.784 1.00 70.32 N ATOM 0 H GLN A 34 13.925 20.824 33.012 1.00 21.35 H new ATOM 0 HA GLN A 34 16.709 21.052 32.062 1.00 52.44 H new ATOM 0 HB2 GLN A 34 15.177 18.622 32.781 1.00 60.02 H new ATOM 0 HB3 GLN A 34 15.872 18.572 31.173 1.00 60.02 H new ATOM 0 HG2 GLN A 34 18.063 18.654 31.957 1.00 44.43 H new ATOM 0 HG3 GLN A 34 17.617 19.448 33.454 1.00 44.43 H new ATOM 0 HE21 GLN A 34 16.409 16.461 31.843 1.00 70.32 H new ATOM 0 HE22 GLN A 34 16.737 15.389 33.209 1.00 70.32 H new ATOM 540 N LEU A 35 15.914 21.344 29.728 1.00 22.32 N ATOM 541 CA LEU A 35 15.427 21.680 28.395 1.00 52.51 C ATOM 542 C LEU A 35 16.588 21.964 27.447 1.00 11.44 C ATOM 543 O LEU A 35 17.740 22.063 27.872 1.00 74.22 O ATOM 544 CB LEU A 35 14.499 22.894 28.460 1.00 54.11 C ATOM 545 CG LEU A 35 14.897 23.991 29.446 1.00 11.04 C ATOM 546 CD1 LEU A 35 16.192 24.659 29.009 1.00 70.22 C ATOM 547 CD2 LEU A 35 13.784 25.020 29.578 1.00 31.21 C ATOM 0 H LEU A 35 16.909 21.519 29.870 1.00 22.32 H new ATOM 0 HA LEU A 35 14.870 20.825 28.013 1.00 52.51 H new ATOM 0 HB2 LEU A 35 14.438 23.333 27.464 1.00 54.11 H new ATOM 0 HB3 LEU A 35 13.498 22.548 28.718 1.00 54.11 H new ATOM 0 HG LEU A 35 15.059 23.533 30.422 1.00 11.04 H new ATOM 0 HD11 LEU A 35 16.459 25.437 29.724 1.00 70.22 H new ATOM 0 HD12 LEU A 35 16.988 23.916 28.967 1.00 70.22 H new ATOM 0 HD13 LEU A 35 16.058 25.103 28.023 1.00 70.22 H new ATOM 0 HD21 LEU A 35 14.085 25.793 30.284 1.00 31.21 H new ATOM 0 HD22 LEU A 35 13.590 25.472 28.606 1.00 31.21 H new ATOM 0 HD23 LEU A 35 12.878 24.532 29.939 1.00 31.21 H new ATOM 559 N ARG A 36 16.278 22.096 26.161 1.00 20.43 N ATOM 560 CA ARG A 36 17.294 22.369 25.154 1.00 5.53 C ATOM 561 C ARG A 36 16.662 22.917 23.877 1.00 64.43 C ATOM 562 O ARG A 36 15.955 22.202 23.166 1.00 21.42 O ATOM 563 CB ARG A 36 18.087 21.099 24.840 1.00 41.12 C ATOM 564 CG ARG A 36 19.481 21.086 25.444 1.00 21.10 C ATOM 565 CD ARG A 36 20.353 22.186 24.859 1.00 52.33 C ATOM 566 NE ARG A 36 20.649 23.229 25.836 1.00 62.11 N ATOM 567 CZ ARG A 36 21.057 24.450 25.508 1.00 24.01 C ATOM 568 NH1 ARG A 36 21.217 24.778 24.234 1.00 43.41 N ATOM 569 NH2 ARG A 36 21.307 25.345 26.456 1.00 54.43 N ATOM 0 H ARG A 36 15.330 22.018 25.793 1.00 20.43 H new ATOM 0 HA ARG A 36 17.972 23.122 25.555 1.00 5.53 H new ATOM 0 HB2 ARG A 36 17.533 20.235 25.207 1.00 41.12 H new ATOM 0 HB3 ARG A 36 18.168 20.990 23.759 1.00 41.12 H new ATOM 0 HG2 ARG A 36 19.411 21.212 26.525 1.00 21.10 H new ATOM 0 HG3 ARG A 36 19.947 20.117 25.265 1.00 21.10 H new ATOM 0 HD2 ARG A 36 21.286 21.754 24.496 1.00 52.33 H new ATOM 0 HD3 ARG A 36 19.850 22.628 23.999 1.00 52.33 H new ATOM 0 HE ARG A 36 20.536 23.008 26.825 1.00 62.11 H new ATOM 0 HH11 ARG A 36 21.027 24.092 23.503 1.00 43.41 H new ATOM 0 HH12 ARG A 36 21.530 25.716 23.984 1.00 43.41 H new ATOM 0 HH21 ARG A 36 21.186 25.096 27.438 1.00 54.43 H new ATOM 0 HH22 ARG A 36 21.620 26.282 26.203 1.00 54.43 H new ATOM 583 N LYS A 37 16.922 24.188 23.592 1.00 52.35 N ATOM 584 CA LYS A 37 16.380 24.832 22.401 1.00 62.32 C ATOM 585 C LYS A 37 17.489 25.485 21.583 1.00 42.52 C ATOM 586 O LYS A 37 17.749 26.680 21.715 1.00 60.33 O ATOM 587 CB LYS A 37 15.336 25.880 22.794 1.00 52.24 C ATOM 588 CG LYS A 37 14.340 25.388 23.830 1.00 52.23 C ATOM 589 CD LYS A 37 14.622 25.981 25.200 1.00 43.24 C ATOM 590 CE LYS A 37 14.107 27.407 25.307 1.00 12.43 C ATOM 591 NZ LYS A 37 14.338 27.980 26.661 1.00 22.14 N ATOM 0 H LYS A 37 17.505 24.793 24.170 1.00 52.35 H new ATOM 0 HA LYS A 37 15.904 24.066 21.788 1.00 62.32 H new ATOM 0 HB2 LYS A 37 15.846 26.761 23.183 1.00 52.24 H new ATOM 0 HB3 LYS A 37 14.794 26.193 21.902 1.00 52.24 H new ATOM 0 HG2 LYS A 37 13.329 25.653 23.519 1.00 52.23 H new ATOM 0 HG3 LYS A 37 14.381 24.300 23.888 1.00 52.23 H new ATOM 0 HD2 LYS A 37 14.153 25.365 25.968 1.00 43.24 H new ATOM 0 HD3 LYS A 37 15.695 25.965 25.390 1.00 43.24 H new ATOM 0 HE2 LYS A 37 14.601 28.029 24.561 1.00 12.43 H new ATOM 0 HE3 LYS A 37 13.041 27.426 25.082 1.00 12.43 H new ATOM 0 HZ1 LYS A 37 13.973 28.953 26.693 1.00 22.14 H new ATOM 0 HZ2 LYS A 37 13.845 27.402 27.371 1.00 22.14 H new ATOM 0 HZ3 LYS A 37 15.358 27.986 26.866 1.00 22.14 H new ATOM 605 N GLY A 38 18.140 24.693 20.736 1.00 74.22 N ATOM 606 CA GLY A 38 19.211 25.212 19.908 1.00 25.20 C ATOM 607 C GLY A 38 19.706 24.198 18.896 1.00 42.23 C ATOM 608 O GLY A 38 20.239 23.153 19.264 1.00 62.11 O ATOM 0 H GLY A 38 17.944 23.700 20.609 1.00 74.22 H new ATOM 0 HA2 GLY A 38 18.862 26.102 19.385 1.00 25.20 H new ATOM 0 HA3 GLY A 38 20.041 25.520 20.544 1.00 25.20 H new ATOM 612 N ALA A 39 19.527 24.507 17.616 1.00 51.01 N ATOM 613 CA ALA A 39 19.960 23.615 16.547 1.00 72.13 C ATOM 614 C ALA A 39 21.460 23.355 16.622 1.00 12.41 C ATOM 615 O ALA A 39 21.894 22.237 16.895 1.00 74.33 O ATOM 616 CB ALA A 39 19.590 24.197 15.191 1.00 74.40 C ATOM 0 H ALA A 39 19.085 25.368 17.294 1.00 51.01 H new ATOM 0 HA ALA A 39 19.446 22.662 16.673 1.00 72.13 H new ATOM 0 HB1 ALA A 39 19.919 23.520 14.402 1.00 74.40 H new ATOM 0 HB2 ALA A 39 18.509 24.324 15.132 1.00 74.40 H new ATOM 0 HB3 ALA A 39 20.076 25.164 15.065 1.00 74.40 H new ATOM 622 N ASN A 40 22.249 24.397 16.376 1.00 50.31 N ATOM 623 CA ASN A 40 23.702 24.281 16.414 1.00 44.53 C ATOM 624 C ASN A 40 24.171 23.758 17.768 1.00 64.32 C ATOM 625 O ASN A 40 25.059 22.909 17.843 1.00 14.11 O ATOM 626 CB ASN A 40 24.351 25.636 16.126 1.00 14.32 C ATOM 627 CG ASN A 40 24.352 25.975 14.648 1.00 31.31 C ATOM 628 OD1 ASN A 40 24.399 25.087 13.796 1.00 63.31 O ATOM 629 ND2 ASN A 40 24.298 27.264 14.336 1.00 51.22 N ATOM 0 H ASN A 40 21.906 25.330 16.148 1.00 50.31 H new ATOM 0 HA ASN A 40 24.004 23.570 15.645 1.00 44.53 H new ATOM 0 HB2 ASN A 40 23.819 26.414 16.674 1.00 14.32 H new ATOM 0 HB3 ASN A 40 25.377 25.630 16.495 1.00 14.32 H new ATOM 0 HD21 ASN A 40 24.294 27.552 13.358 1.00 51.22 H new ATOM 0 HD22 ASN A 40 24.260 27.966 15.075 1.00 51.22 H new ATOM 636 N GLU A 41 23.566 24.270 18.836 1.00 72.22 N ATOM 637 CA GLU A 41 23.922 23.854 20.187 1.00 60.44 C ATOM 638 C GLU A 41 23.668 22.361 20.382 1.00 10.02 C ATOM 639 O GLU A 41 24.333 21.708 21.185 1.00 44.22 O ATOM 640 CB GLU A 41 23.126 24.657 21.218 1.00 50.04 C ATOM 641 CG GLU A 41 23.972 25.640 22.009 1.00 65.11 C ATOM 642 CD GLU A 41 24.945 24.951 22.947 1.00 32.21 C ATOM 643 OE1 GLU A 41 24.524 24.011 23.653 1.00 54.24 O ATOM 644 OE2 GLU A 41 26.126 25.353 22.975 1.00 44.40 O ATOM 0 H GLU A 41 22.828 24.973 18.791 1.00 72.22 H new ATOM 0 HA GLU A 41 24.985 24.046 20.330 1.00 60.44 H new ATOM 0 HB2 GLU A 41 22.333 25.203 20.707 1.00 50.04 H new ATOM 0 HB3 GLU A 41 22.644 23.967 21.910 1.00 50.04 H new ATOM 0 HG2 GLU A 41 24.527 26.274 21.318 1.00 65.11 H new ATOM 0 HG3 GLU A 41 23.318 26.294 22.586 1.00 65.11 H new ATOM 651 N ALA A 42 22.701 21.830 19.642 1.00 11.42 N ATOM 652 CA ALA A 42 22.359 20.416 19.731 1.00 22.35 C ATOM 653 C ALA A 42 23.580 19.539 19.470 1.00 34.55 C ATOM 654 O ALA A 42 23.696 18.442 20.016 1.00 41.33 O ATOM 655 CB ALA A 42 21.245 20.079 18.752 1.00 54.01 C ATOM 0 H ALA A 42 22.140 22.358 18.974 1.00 11.42 H new ATOM 0 HA ALA A 42 22.009 20.215 20.744 1.00 22.35 H new ATOM 0 HB1 ALA A 42 21.000 19.020 18.830 1.00 54.01 H new ATOM 0 HB2 ALA A 42 20.362 20.674 18.987 1.00 54.01 H new ATOM 0 HB3 ALA A 42 21.573 20.302 17.737 1.00 54.01 H new ATOM 661 N THR A 43 24.486 20.030 18.632 1.00 5.14 N ATOM 662 CA THR A 43 25.697 19.290 18.297 1.00 13.12 C ATOM 663 C THR A 43 26.556 19.052 19.533 1.00 22.25 C ATOM 664 O THR A 43 27.267 18.052 19.626 1.00 14.14 O ATOM 665 CB THR A 43 26.534 20.032 17.239 1.00 12.33 C ATOM 666 OG1 THR A 43 25.671 20.684 16.300 1.00 15.43 O ATOM 667 CG2 THR A 43 27.456 19.071 16.505 1.00 62.14 C ATOM 0 H THR A 43 24.405 20.937 18.172 1.00 5.14 H new ATOM 0 HA THR A 43 25.378 18.331 17.890 1.00 13.12 H new ATOM 0 HB THR A 43 27.145 20.777 17.749 1.00 12.33 H new ATOM 0 HG1 THR A 43 25.418 21.566 16.645 1.00 15.43 H new ATOM 0 HG21 THR A 43 28.037 19.619 15.763 1.00 62.14 H new ATOM 0 HG22 THR A 43 28.132 18.599 17.218 1.00 62.14 H new ATOM 0 HG23 THR A 43 26.861 18.305 16.007 1.00 62.14 H new ATOM 675 N LYS A 44 26.486 19.979 20.483 1.00 61.10 N ATOM 676 CA LYS A 44 27.256 19.871 21.717 1.00 43.13 C ATOM 677 C LYS A 44 26.599 18.891 22.684 1.00 73.52 C ATOM 678 O LYS A 44 27.255 17.999 23.223 1.00 42.22 O ATOM 679 CB LYS A 44 27.393 21.243 22.379 1.00 42.01 C ATOM 680 CG LYS A 44 28.629 22.010 21.941 1.00 73.12 C ATOM 681 CD LYS A 44 29.899 21.381 22.490 1.00 15.44 C ATOM 682 CE LYS A 44 31.064 22.360 22.457 1.00 73.25 C ATOM 683 NZ LYS A 44 32.273 21.804 23.126 1.00 13.12 N ATOM 0 H LYS A 44 25.903 20.814 20.422 1.00 61.10 H new ATOM 0 HA LYS A 44 28.248 19.496 21.465 1.00 43.13 H new ATOM 0 HB2 LYS A 44 26.508 21.837 22.151 1.00 42.01 H new ATOM 0 HB3 LYS A 44 27.421 21.114 23.461 1.00 42.01 H new ATOM 0 HG2 LYS A 44 28.676 22.036 20.852 1.00 73.12 H new ATOM 0 HG3 LYS A 44 28.557 23.043 22.281 1.00 73.12 H new ATOM 0 HD2 LYS A 44 29.729 21.050 23.515 1.00 15.44 H new ATOM 0 HD3 LYS A 44 30.150 20.495 21.906 1.00 15.44 H new ATOM 0 HE2 LYS A 44 31.302 22.607 21.422 1.00 73.25 H new ATOM 0 HE3 LYS A 44 30.772 23.289 22.947 1.00 73.25 H new ATOM 0 HZ1 LYS A 44 33.045 22.500 23.083 1.00 13.12 H new ATOM 0 HZ2 LYS A 44 32.053 21.592 24.120 1.00 13.12 H new ATOM 0 HZ3 LYS A 44 32.567 20.931 22.643 1.00 13.12 H new ATOM 697 N THR A 45 25.297 19.061 22.899 1.00 42.02 N ATOM 698 CA THR A 45 24.552 18.192 23.800 1.00 31.00 C ATOM 699 C THR A 45 24.586 16.745 23.323 1.00 15.22 C ATOM 700 O THR A 45 24.609 15.815 24.129 1.00 32.31 O ATOM 701 CB THR A 45 23.085 18.644 23.930 1.00 35.55 C ATOM 702 OG1 THR A 45 22.698 19.391 22.771 1.00 10.11 O ATOM 703 CG2 THR A 45 22.889 19.494 25.176 1.00 12.31 C ATOM 0 H THR A 45 24.738 19.793 22.461 1.00 42.02 H new ATOM 0 HA THR A 45 25.034 18.261 24.775 1.00 31.00 H new ATOM 0 HB THR A 45 22.460 17.755 24.014 1.00 35.55 H new ATOM 0 HG1 THR A 45 23.005 18.926 21.965 1.00 10.11 H new ATOM 0 HG21 THR A 45 21.846 19.801 25.246 1.00 12.31 H new ATOM 0 HG22 THR A 45 23.156 18.913 26.059 1.00 12.31 H new ATOM 0 HG23 THR A 45 23.524 20.378 25.117 1.00 12.31 H new ATOM 711 N LEU A 46 24.589 16.562 22.007 1.00 70.34 N ATOM 712 CA LEU A 46 24.620 15.226 21.421 1.00 45.30 C ATOM 713 C LEU A 46 26.015 14.617 21.527 1.00 4.42 C ATOM 714 O LEU A 46 26.164 13.419 21.759 1.00 2.51 O ATOM 715 CB LEU A 46 24.186 15.280 19.956 1.00 55.44 C ATOM 716 CG LEU A 46 24.808 14.233 19.032 1.00 71.24 C ATOM 717 CD1 LEU A 46 24.455 12.830 19.500 1.00 63.44 C ATOM 718 CD2 LEU A 46 24.350 14.448 17.596 1.00 23.05 C ATOM 0 H LEU A 46 24.570 17.321 21.326 1.00 70.34 H new ATOM 0 HA LEU A 46 23.925 14.597 21.977 1.00 45.30 H new ATOM 0 HB2 LEU A 46 23.102 15.173 19.915 1.00 55.44 H new ATOM 0 HB3 LEU A 46 24.424 16.269 19.564 1.00 55.44 H new ATOM 0 HG LEU A 46 25.892 14.344 19.068 1.00 71.24 H new ATOM 0 HD11 LEU A 46 24.907 12.099 18.830 1.00 63.44 H new ATOM 0 HD12 LEU A 46 24.833 12.678 20.511 1.00 63.44 H new ATOM 0 HD13 LEU A 46 23.372 12.707 19.495 1.00 63.44 H new ATOM 0 HD21 LEU A 46 24.803 13.693 16.953 1.00 23.05 H new ATOM 0 HD22 LEU A 46 23.264 14.365 17.544 1.00 23.05 H new ATOM 0 HD23 LEU A 46 24.654 15.440 17.262 1.00 23.05 H new ATOM 730 N ASN A 47 27.035 15.454 21.358 1.00 73.03 N ATOM 731 CA ASN A 47 28.418 14.999 21.436 1.00 22.13 C ATOM 732 C ASN A 47 28.841 14.791 22.887 1.00 1.15 C ATOM 733 O ASN A 47 29.776 14.043 23.171 1.00 72.53 O ATOM 734 CB ASN A 47 29.348 16.010 20.762 1.00 42.20 C ATOM 735 CG ASN A 47 29.494 15.757 19.273 1.00 25.41 C ATOM 736 OD1 ASN A 47 28.558 15.305 18.615 1.00 12.21 O ATOM 737 ND2 ASN A 47 30.673 16.050 18.737 1.00 2.42 N ATOM 0 H ASN A 47 26.929 16.450 21.166 1.00 73.03 H new ATOM 0 HA ASN A 47 28.490 14.045 20.914 1.00 22.13 H new ATOM 0 HB2 ASN A 47 28.962 17.017 20.921 1.00 42.20 H new ATOM 0 HB3 ASN A 47 30.330 15.967 21.233 1.00 42.20 H new ATOM 0 HD21 ASN A 47 30.831 15.902 17.740 1.00 2.42 H new ATOM 0 HD22 ASN A 47 31.421 16.423 19.322 1.00 2.42 H new ATOM 744 N ARG A 48 28.145 15.459 23.802 1.00 63.11 N ATOM 745 CA ARG A 48 28.449 15.348 25.224 1.00 72.22 C ATOM 746 C ARG A 48 28.099 13.958 25.748 1.00 3.21 C ATOM 747 O ARG A 48 28.664 13.497 26.739 1.00 11.44 O ATOM 748 CB ARG A 48 27.682 16.410 26.015 1.00 51.13 C ATOM 749 CG ARG A 48 28.572 17.280 26.887 1.00 61.41 C ATOM 750 CD ARG A 48 27.777 18.379 27.573 1.00 0.25 C ATOM 751 NE ARG A 48 28.441 18.862 28.781 1.00 31.15 N ATOM 752 CZ ARG A 48 27.855 19.652 29.675 1.00 65.24 C ATOM 753 NH1 ARG A 48 26.601 20.044 29.498 1.00 70.33 N ATOM 754 NH2 ARG A 48 28.525 20.050 30.749 1.00 35.35 N ATOM 0 H ARG A 48 27.367 16.082 23.584 1.00 63.11 H new ATOM 0 HA ARG A 48 29.519 15.508 25.355 1.00 72.22 H new ATOM 0 HB2 ARG A 48 27.136 17.046 25.318 1.00 51.13 H new ATOM 0 HB3 ARG A 48 26.941 15.917 26.644 1.00 51.13 H new ATOM 0 HG2 ARG A 48 29.063 16.662 27.638 1.00 61.41 H new ATOM 0 HG3 ARG A 48 29.358 17.725 26.277 1.00 61.41 H new ATOM 0 HD2 ARG A 48 27.634 19.209 26.881 1.00 0.25 H new ATOM 0 HD3 ARG A 48 26.786 18.004 27.829 1.00 0.25 H new ATOM 0 HE ARG A 48 29.406 18.578 28.947 1.00 31.15 H new ATOM 0 HH11 ARG A 48 26.083 19.739 28.674 1.00 70.33 H new ATOM 0 HH12 ARG A 48 26.154 20.650 30.186 1.00 70.33 H new ATOM 0 HH21 ARG A 48 29.490 19.750 30.889 1.00 35.35 H new ATOM 0 HH22 ARG A 48 28.075 20.656 31.435 1.00 35.35 H new ATOM 768 N GLY A 49 27.164 13.295 25.074 1.00 61.02 N ATOM 769 CA GLY A 49 26.756 11.965 25.486 1.00 31.10 C ATOM 770 C GLY A 49 25.576 11.990 26.438 1.00 64.11 C ATOM 771 O GLY A 49 25.398 11.073 27.241 1.00 2.32 O ATOM 0 H GLY A 49 26.682 13.655 24.250 1.00 61.02 H new ATOM 0 HA2 GLY A 49 26.496 11.379 24.605 1.00 31.10 H new ATOM 0 HA3 GLY A 49 27.596 11.463 25.966 1.00 31.10 H new ATOM 775 N ILE A 50 24.770 13.042 26.351 1.00 72.30 N ATOM 776 CA ILE A 50 23.601 13.182 27.212 1.00 44.50 C ATOM 777 C ILE A 50 22.321 13.272 26.390 1.00 21.50 C ATOM 778 O ILE A 50 21.238 12.937 26.871 1.00 61.14 O ATOM 779 CB ILE A 50 23.711 14.429 28.110 1.00 72.23 C ATOM 780 CG1 ILE A 50 23.904 15.684 27.256 1.00 14.13 C ATOM 781 CG2 ILE A 50 24.859 14.272 29.097 1.00 14.34 C ATOM 782 CD1 ILE A 50 22.605 16.292 26.774 1.00 55.13 C ATOM 0 H ILE A 50 24.904 13.810 25.693 1.00 72.30 H new ATOM 0 HA ILE A 50 23.563 12.293 27.841 1.00 44.50 H new ATOM 0 HB ILE A 50 22.784 14.535 28.674 1.00 72.23 H new ATOM 0 HG12 ILE A 50 24.451 16.428 27.836 1.00 14.13 H new ATOM 0 HG13 ILE A 50 24.522 15.435 26.393 1.00 14.13 H new ATOM 0 HG21 ILE A 50 24.924 15.161 29.724 1.00 14.34 H new ATOM 0 HG22 ILE A 50 24.683 13.398 29.724 1.00 14.34 H new ATOM 0 HG23 ILE A 50 25.794 14.145 28.551 1.00 14.34 H new ATOM 0 HD11 ILE A 50 22.818 17.178 26.175 1.00 55.13 H new ATOM 0 HD12 ILE A 50 22.066 15.565 26.167 1.00 55.13 H new ATOM 0 HD13 ILE A 50 21.994 16.573 27.632 1.00 55.13 H new ATOM 794 N SER A 51 22.452 13.726 25.147 1.00 20.44 N ATOM 795 CA SER A 51 21.303 13.862 24.259 1.00 51.30 C ATOM 796 C SER A 51 21.086 12.585 23.454 1.00 75.53 C ATOM 797 O SER A 51 21.820 12.301 22.509 1.00 74.43 O ATOM 798 CB SER A 51 21.503 15.047 23.311 1.00 70.42 C ATOM 799 OG SER A 51 20.801 16.189 23.769 1.00 73.30 O ATOM 0 H SER A 51 23.341 14.005 24.733 1.00 20.44 H new ATOM 0 HA SER A 51 20.419 14.040 24.872 1.00 51.30 H new ATOM 0 HB2 SER A 51 22.565 15.277 23.230 1.00 70.42 H new ATOM 0 HB3 SER A 51 21.158 14.780 22.312 1.00 70.42 H new ATOM 0 HG SER A 51 20.771 16.862 23.057 1.00 73.30 H new ATOM 805 N GLU A 52 20.069 11.817 23.838 1.00 4.13 N ATOM 806 CA GLU A 52 19.755 10.569 23.153 1.00 73.14 C ATOM 807 C GLU A 52 18.483 10.711 22.321 1.00 70.34 C ATOM 808 O GLU A 52 18.361 10.120 21.247 1.00 3.22 O ATOM 809 CB GLU A 52 19.591 9.433 24.164 1.00 64.40 C ATOM 810 CG GLU A 52 20.531 8.264 23.925 1.00 0.50 C ATOM 811 CD GLU A 52 20.515 7.259 25.059 1.00 21.40 C ATOM 812 OE1 GLU A 52 21.315 7.418 26.005 1.00 33.54 O ATOM 813 OE2 GLU A 52 19.702 6.312 25.003 1.00 15.23 O ATOM 0 H GLU A 52 19.450 12.038 24.618 1.00 4.13 H new ATOM 0 HA GLU A 52 20.583 10.333 22.484 1.00 73.14 H new ATOM 0 HB2 GLU A 52 19.759 9.824 25.167 1.00 64.40 H new ATOM 0 HB3 GLU A 52 18.562 9.074 24.130 1.00 64.40 H new ATOM 0 HG2 GLU A 52 20.253 7.763 22.997 1.00 0.50 H new ATOM 0 HG3 GLU A 52 21.545 8.640 23.793 1.00 0.50 H new ATOM 820 N PHE A 53 17.538 11.496 22.825 1.00 33.04 N ATOM 821 CA PHE A 53 16.274 11.715 22.130 1.00 21.44 C ATOM 822 C PHE A 53 16.208 13.127 21.554 1.00 50.24 C ATOM 823 O PHE A 53 16.157 14.109 22.294 1.00 14.23 O ATOM 824 CB PHE A 53 15.098 11.486 23.083 1.00 40.24 C ATOM 825 CG PHE A 53 13.763 11.802 22.472 1.00 32.41 C ATOM 826 CD1 PHE A 53 13.432 11.327 21.213 1.00 63.51 C ATOM 827 CD2 PHE A 53 12.838 12.574 23.158 1.00 53.21 C ATOM 828 CE1 PHE A 53 12.203 11.616 20.649 1.00 42.41 C ATOM 829 CE2 PHE A 53 11.609 12.865 22.598 1.00 32.51 C ATOM 830 CZ PHE A 53 11.291 12.387 21.343 1.00 74.14 C ATOM 0 H PHE A 53 17.623 11.992 23.712 1.00 33.04 H new ATOM 0 HA PHE A 53 16.211 11.002 21.308 1.00 21.44 H new ATOM 0 HB2 PHE A 53 15.102 10.446 23.410 1.00 40.24 H new ATOM 0 HB3 PHE A 53 15.236 12.100 23.973 1.00 40.24 H new ATOM 0 HD1 PHE A 53 14.142 10.724 20.666 1.00 63.51 H new ATOM 0 HD2 PHE A 53 13.081 12.952 24.140 1.00 53.21 H new ATOM 0 HE1 PHE A 53 11.957 11.239 19.667 1.00 42.41 H new ATOM 0 HE2 PHE A 53 10.897 13.467 23.143 1.00 32.51 H new ATOM 0 HZ PHE A 53 10.331 12.615 20.904 1.00 74.14 H new ATOM 840 N ILE A 54 16.211 13.218 20.228 1.00 61.22 N ATOM 841 CA ILE A 54 16.150 14.507 19.552 1.00 3.53 C ATOM 842 C ILE A 54 15.010 14.545 18.540 1.00 72.34 C ATOM 843 O ILE A 54 14.642 13.520 17.964 1.00 65.52 O ATOM 844 CB ILE A 54 17.473 14.826 18.829 1.00 73.42 C ATOM 845 CG1 ILE A 54 18.659 14.605 19.770 1.00 52.22 C ATOM 846 CG2 ILE A 54 17.462 16.256 18.310 1.00 32.45 C ATOM 847 CD1 ILE A 54 18.649 15.512 20.979 1.00 24.44 C ATOM 0 H ILE A 54 16.255 12.414 19.601 1.00 61.22 H new ATOM 0 HA ILE A 54 15.974 15.258 20.322 1.00 3.53 H new ATOM 0 HB ILE A 54 17.577 14.152 17.978 1.00 73.42 H new ATOM 0 HG12 ILE A 54 18.658 13.568 20.104 1.00 52.22 H new ATOM 0 HG13 ILE A 54 19.585 14.761 19.217 1.00 52.22 H new ATOM 0 HG21 ILE A 54 18.403 16.466 17.802 1.00 32.45 H new ATOM 0 HG22 ILE A 54 16.636 16.383 17.610 1.00 32.45 H new ATOM 0 HG23 ILE A 54 17.339 16.945 19.145 1.00 32.45 H new ATOM 0 HD11 ILE A 54 19.519 15.299 21.601 1.00 24.44 H new ATOM 0 HD12 ILE A 54 18.681 16.552 20.654 1.00 24.44 H new ATOM 0 HD13 ILE A 54 17.740 15.340 21.555 1.00 24.44 H new ATOM 859 N VAL A 55 14.454 15.733 18.326 1.00 4.35 N ATOM 860 CA VAL A 55 13.358 15.906 17.381 1.00 22.42 C ATOM 861 C VAL A 55 13.492 17.218 16.616 1.00 61.41 C ATOM 862 O VAL A 55 14.019 18.200 17.137 1.00 25.10 O ATOM 863 CB VAL A 55 11.993 15.877 18.094 1.00 63.30 C ATOM 864 CG1 VAL A 55 10.860 15.874 17.080 1.00 12.40 C ATOM 865 CG2 VAL A 55 11.898 14.669 19.016 1.00 53.41 C ATOM 0 H VAL A 55 14.745 16.591 18.795 1.00 4.35 H new ATOM 0 HA VAL A 55 13.411 15.074 16.679 1.00 22.42 H new ATOM 0 HB VAL A 55 11.902 16.777 18.702 1.00 63.30 H new ATOM 0 HG11 VAL A 55 9.904 15.853 17.603 1.00 12.40 H new ATOM 0 HG12 VAL A 55 10.919 16.773 16.466 1.00 12.40 H new ATOM 0 HG13 VAL A 55 10.944 14.994 16.443 1.00 12.40 H new ATOM 0 HG21 VAL A 55 10.927 14.665 19.511 1.00 53.41 H new ATOM 0 HG22 VAL A 55 12.011 13.756 18.432 1.00 53.41 H new ATOM 0 HG23 VAL A 55 12.688 14.721 19.766 1.00 53.41 H new ATOM 875 N MET A 56 13.010 17.226 15.378 1.00 22.25 N ATOM 876 CA MET A 56 13.075 18.420 14.542 1.00 71.32 C ATOM 877 C MET A 56 11.822 18.550 13.683 1.00 74.14 C ATOM 878 O MET A 56 11.107 17.573 13.458 1.00 30.20 O ATOM 879 CB MET A 56 14.317 18.376 13.649 1.00 64.31 C ATOM 880 CG MET A 56 14.212 17.376 12.510 1.00 65.44 C ATOM 881 SD MET A 56 13.658 18.130 10.970 1.00 33.14 S ATOM 882 CE MET A 56 14.980 17.651 9.862 1.00 12.12 C ATOM 0 H MET A 56 12.571 16.421 14.931 1.00 22.25 H new ATOM 0 HA MET A 56 13.137 19.289 15.197 1.00 71.32 H new ATOM 0 HB2 MET A 56 14.492 19.369 13.235 1.00 64.31 H new ATOM 0 HB3 MET A 56 15.185 18.128 14.260 1.00 64.31 H new ATOM 0 HG2 MET A 56 15.184 16.909 12.352 1.00 65.44 H new ATOM 0 HG3 MET A 56 13.519 16.583 12.791 1.00 65.44 H new ATOM 0 HE1 MET A 56 15.568 18.529 9.596 1.00 12.12 H new ATOM 0 HE2 MET A 56 15.621 16.921 10.355 1.00 12.12 H new ATOM 0 HE3 MET A 56 14.557 17.211 8.959 1.00 12.12 H new ATOM 892 N ALA A 57 11.560 19.762 13.205 1.00 52.51 N ATOM 893 CA ALA A 57 10.394 20.018 12.368 1.00 5.42 C ATOM 894 C ALA A 57 10.706 19.762 10.897 1.00 31.44 C ATOM 895 O ALA A 57 11.569 20.415 10.314 1.00 43.40 O ATOM 896 CB ALA A 57 9.907 21.446 12.566 1.00 0.11 C ATOM 0 H ALA A 57 12.140 20.582 13.383 1.00 52.51 H new ATOM 0 HA ALA A 57 9.603 19.330 12.669 1.00 5.42 H new ATOM 0 HB1 ALA A 57 9.036 21.624 11.935 1.00 0.11 H new ATOM 0 HB2 ALA A 57 9.635 21.596 13.611 1.00 0.11 H new ATOM 0 HB3 ALA A 57 10.700 22.142 12.294 1.00 0.11 H new ATOM 902 N ALA A 58 9.997 18.807 10.305 1.00 44.32 N ATOM 903 CA ALA A 58 10.198 18.466 8.902 1.00 35.02 C ATOM 904 C ALA A 58 10.005 19.686 8.007 1.00 70.21 C ATOM 905 O ALA A 58 10.547 19.750 6.904 1.00 23.31 O ATOM 906 CB ALA A 58 9.248 17.351 8.489 1.00 4.30 C ATOM 0 H ALA A 58 9.279 18.256 10.775 1.00 44.32 H new ATOM 0 HA ALA A 58 11.224 18.118 8.782 1.00 35.02 H new ATOM 0 HB1 ALA A 58 9.409 17.106 7.439 1.00 4.30 H new ATOM 0 HB2 ALA A 58 9.436 16.468 9.100 1.00 4.30 H new ATOM 0 HB3 ALA A 58 8.218 17.679 8.632 1.00 4.30 H new ATOM 912 N ASP A 59 9.229 20.650 8.490 1.00 14.41 N ATOM 913 CA ASP A 59 8.964 21.868 7.734 1.00 14.40 C ATOM 914 C ASP A 59 9.635 23.071 8.389 1.00 0.41 C ATOM 915 O ASP A 59 9.101 24.179 8.370 1.00 15.44 O ATOM 916 CB ASP A 59 7.458 22.108 7.621 1.00 61.51 C ATOM 917 CG ASP A 59 6.795 22.268 8.975 1.00 1.02 C ATOM 918 OD1 ASP A 59 6.912 21.344 9.806 1.00 40.13 O ATOM 919 OD2 ASP A 59 6.157 23.318 9.204 1.00 54.53 O ATOM 0 H ASP A 59 8.773 20.611 9.401 1.00 14.41 H new ATOM 0 HA ASP A 59 9.379 21.742 6.734 1.00 14.40 H new ATOM 0 HB2 ASP A 59 7.279 23.002 7.024 1.00 61.51 H new ATOM 0 HB3 ASP A 59 6.999 21.274 7.091 1.00 61.51 H new ATOM 924 N ALA A 60 10.809 22.844 8.969 1.00 4.31 N ATOM 925 CA ALA A 60 11.555 23.909 9.629 1.00 35.13 C ATOM 926 C ALA A 60 12.870 24.187 8.910 1.00 51.11 C ATOM 927 O ALA A 60 13.532 23.267 8.431 1.00 72.53 O ATOM 928 CB ALA A 60 11.812 23.548 11.085 1.00 72.21 C ATOM 0 H ALA A 60 11.264 21.932 8.995 1.00 4.31 H new ATOM 0 HA ALA A 60 10.954 24.817 9.592 1.00 35.13 H new ATOM 0 HB1 ALA A 60 12.370 24.351 11.566 1.00 72.21 H new ATOM 0 HB2 ALA A 60 10.861 23.408 11.599 1.00 72.21 H new ATOM 0 HB3 ALA A 60 12.390 22.625 11.135 1.00 72.21 H new ATOM 934 N GLU A 61 13.242 25.461 8.837 1.00 74.51 N ATOM 935 CA GLU A 61 14.478 25.858 8.174 1.00 70.21 C ATOM 936 C GLU A 61 15.280 26.818 9.049 1.00 41.32 C ATOM 937 O GLU A 61 14.758 27.434 9.978 1.00 14.24 O ATOM 938 CB GLU A 61 14.172 26.514 6.826 1.00 70.05 C ATOM 939 CG GLU A 61 14.343 25.576 5.642 1.00 13.23 C ATOM 940 CD GLU A 61 14.516 26.319 4.332 1.00 53.53 C ATOM 941 OE1 GLU A 61 15.452 27.139 4.231 1.00 24.14 O ATOM 942 OE2 GLU A 61 13.714 26.080 3.404 1.00 73.34 O ATOM 0 H GLU A 61 12.705 26.235 9.229 1.00 74.51 H new ATOM 0 HA GLU A 61 15.075 24.961 8.006 1.00 70.21 H new ATOM 0 HB2 GLU A 61 13.149 26.889 6.837 1.00 70.05 H new ATOM 0 HB3 GLU A 61 14.826 27.376 6.694 1.00 70.05 H new ATOM 0 HG2 GLU A 61 15.210 24.938 5.811 1.00 13.23 H new ATOM 0 HG3 GLU A 61 13.474 24.922 5.573 1.00 13.23 H new ATOM 949 N PRO A 62 16.580 26.949 8.745 1.00 64.42 N ATOM 950 CA PRO A 62 17.213 26.219 7.642 1.00 13.11 C ATOM 951 C PRO A 62 17.328 24.725 7.925 1.00 13.43 C ATOM 952 O PRO A 62 17.292 24.297 9.080 1.00 1.53 O ATOM 953 CB PRO A 62 18.602 26.855 7.547 1.00 21.40 C ATOM 954 CG PRO A 62 18.868 27.390 8.913 1.00 73.21 C ATOM 955 CD PRO A 62 17.533 27.818 9.456 1.00 71.52 C ATOM 0 HA PRO A 62 16.634 26.289 6.721 1.00 13.11 H new ATOM 0 HB2 PRO A 62 19.354 26.122 7.256 1.00 21.40 H new ATOM 0 HB3 PRO A 62 18.624 27.648 6.800 1.00 21.40 H new ATOM 0 HG2 PRO A 62 19.322 26.630 9.548 1.00 73.21 H new ATOM 0 HG3 PRO A 62 19.562 28.230 8.875 1.00 73.21 H new ATOM 0 HD2 PRO A 62 17.475 27.679 10.536 1.00 71.52 H new ATOM 0 HD3 PRO A 62 17.339 28.872 9.260 1.00 71.52 H new ATOM 963 N LEU A 63 17.466 23.937 6.865 1.00 30.31 N ATOM 964 CA LEU A 63 17.587 22.489 7.000 1.00 23.22 C ATOM 965 C LEU A 63 19.051 22.072 7.094 1.00 63.22 C ATOM 966 O LEU A 63 19.377 21.053 7.704 1.00 10.21 O ATOM 967 CB LEU A 63 16.920 21.790 5.814 1.00 63.45 C ATOM 968 CG LEU A 63 16.770 20.272 5.929 1.00 55.25 C ATOM 969 CD1 LEU A 63 15.430 19.914 6.555 1.00 41.22 C ATOM 970 CD2 LEU A 63 16.913 19.618 4.563 1.00 51.54 C ATOM 0 H LEU A 63 17.497 24.275 5.903 1.00 30.31 H new ATOM 0 HA LEU A 63 17.084 22.190 7.920 1.00 23.22 H new ATOM 0 HB2 LEU A 63 15.930 22.223 5.672 1.00 63.45 H new ATOM 0 HB3 LEU A 63 17.497 22.011 4.916 1.00 63.45 H new ATOM 0 HG LEU A 63 17.563 19.895 6.576 1.00 55.25 H new ATOM 0 HD11 LEU A 63 15.341 18.830 6.629 1.00 41.22 H new ATOM 0 HD12 LEU A 63 15.365 20.352 7.551 1.00 41.22 H new ATOM 0 HD13 LEU A 63 14.623 20.303 5.934 1.00 41.22 H new ATOM 0 HD21 LEU A 63 16.804 18.538 4.663 1.00 51.54 H new ATOM 0 HD22 LEU A 63 16.142 20.000 3.894 1.00 51.54 H new ATOM 0 HD23 LEU A 63 17.896 19.846 4.151 1.00 51.54 H new ATOM 982 N GLU A 64 19.928 22.866 6.488 1.00 30.40 N ATOM 983 CA GLU A 64 21.357 22.579 6.506 1.00 43.22 C ATOM 984 C GLU A 64 21.849 22.356 7.933 1.00 43.32 C ATOM 985 O GLU A 64 22.530 21.370 8.219 1.00 2.21 O ATOM 986 CB GLU A 64 22.138 23.725 5.859 1.00 62.13 C ATOM 987 CG GLU A 64 22.674 23.390 4.477 1.00 10.13 C ATOM 988 CD GLU A 64 23.783 24.328 4.039 1.00 34.55 C ATOM 989 OE1 GLU A 64 23.844 25.460 4.564 1.00 62.41 O ATOM 990 OE2 GLU A 64 24.588 23.931 3.171 1.00 43.22 O ATOM 0 H GLU A 64 19.674 23.713 5.979 1.00 30.40 H new ATOM 0 HA GLU A 64 21.525 21.666 5.935 1.00 43.22 H new ATOM 0 HB2 GLU A 64 21.491 24.599 5.787 1.00 62.13 H new ATOM 0 HB3 GLU A 64 22.971 23.997 6.507 1.00 62.13 H new ATOM 0 HG2 GLU A 64 23.047 22.366 4.474 1.00 10.13 H new ATOM 0 HG3 GLU A 64 21.859 23.434 3.755 1.00 10.13 H new ATOM 997 N ILE A 65 21.501 23.277 8.824 1.00 4.31 N ATOM 998 CA ILE A 65 21.908 23.182 10.221 1.00 60.45 C ATOM 999 C ILE A 65 21.509 21.836 10.817 1.00 65.12 C ATOM 1000 O ILE A 65 22.174 21.326 11.721 1.00 74.22 O ATOM 1001 CB ILE A 65 21.286 24.309 11.066 1.00 30.41 C ATOM 1002 CG1 ILE A 65 19.772 24.119 11.175 1.00 60.50 C ATOM 1003 CG2 ILE A 65 21.613 25.666 10.461 1.00 34.43 C ATOM 1004 CD1 ILE A 65 19.086 25.191 11.993 1.00 62.10 C ATOM 0 H ILE A 65 20.938 24.098 8.604 1.00 4.31 H new ATOM 0 HA ILE A 65 22.993 23.280 10.242 1.00 60.45 H new ATOM 0 HB ILE A 65 21.711 24.268 12.069 1.00 30.41 H new ATOM 0 HG12 ILE A 65 19.342 24.107 10.173 1.00 60.50 H new ATOM 0 HG13 ILE A 65 19.567 23.146 11.621 1.00 60.50 H new ATOM 0 HG21 ILE A 65 21.167 26.453 11.069 1.00 34.43 H new ATOM 0 HG22 ILE A 65 22.694 25.800 10.431 1.00 34.43 H new ATOM 0 HG23 ILE A 65 21.213 25.719 9.449 1.00 34.43 H new ATOM 0 HD11 ILE A 65 18.015 24.993 12.028 1.00 62.10 H new ATOM 0 HD12 ILE A 65 19.488 25.189 13.006 1.00 62.10 H new ATOM 0 HD13 ILE A 65 19.260 26.165 11.535 1.00 62.10 H new ATOM 1016 N ILE A 66 20.424 21.265 10.306 1.00 1.22 N ATOM 1017 CA ILE A 66 19.940 19.977 10.786 1.00 44.42 C ATOM 1018 C ILE A 66 20.554 18.829 9.992 1.00 54.22 C ATOM 1019 O ILE A 66 20.605 17.691 10.462 1.00 34.41 O ATOM 1020 CB ILE A 66 18.406 19.884 10.699 1.00 11.24 C ATOM 1021 CG1 ILE A 66 17.763 21.142 11.289 1.00 52.03 C ATOM 1022 CG2 ILE A 66 17.909 18.640 11.420 1.00 13.35 C ATOM 1023 CD1 ILE A 66 16.253 21.153 11.187 1.00 42.45 C ATOM 0 H ILE A 66 19.863 21.674 9.559 1.00 1.22 H new ATOM 0 HA ILE A 66 20.242 19.896 11.830 1.00 44.42 H new ATOM 0 HB ILE A 66 18.120 19.810 9.650 1.00 11.24 H new ATOM 0 HG12 ILE A 66 18.049 21.229 12.337 1.00 52.03 H new ATOM 0 HG13 ILE A 66 18.160 22.018 10.776 1.00 52.03 H new ATOM 0 HG21 ILE A 66 16.823 18.588 11.350 1.00 13.35 H new ATOM 0 HG22 ILE A 66 18.345 17.754 10.959 1.00 13.35 H new ATOM 0 HG23 ILE A 66 18.203 18.685 12.469 1.00 13.35 H new ATOM 0 HD11 ILE A 66 15.865 22.073 11.624 1.00 42.45 H new ATOM 0 HD12 ILE A 66 15.959 21.097 10.139 1.00 42.45 H new ATOM 0 HD13 ILE A 66 15.846 20.296 11.724 1.00 42.45 H new ATOM 1035 N LEU A 67 21.020 19.134 8.786 1.00 41.45 N ATOM 1036 CA LEU A 67 21.633 18.127 7.926 1.00 33.31 C ATOM 1037 C LEU A 67 23.038 17.780 8.409 1.00 73.03 C ATOM 1038 O LEU A 67 23.546 16.691 8.140 1.00 2.33 O ATOM 1039 CB LEU A 67 21.686 18.627 6.481 1.00 45.15 C ATOM 1040 CG LEU A 67 22.430 17.731 5.488 1.00 34.43 C ATOM 1041 CD1 LEU A 67 21.671 16.432 5.271 1.00 75.43 C ATOM 1042 CD2 LEU A 67 22.636 18.458 4.167 1.00 65.24 C ATOM 0 H LEU A 67 20.985 20.070 8.381 1.00 41.45 H new ATOM 0 HA LEU A 67 21.022 17.226 7.970 1.00 33.31 H new ATOM 0 HB2 LEU A 67 20.664 18.759 6.126 1.00 45.15 H new ATOM 0 HB3 LEU A 67 22.156 19.611 6.475 1.00 45.15 H new ATOM 0 HG LEU A 67 23.408 17.491 5.905 1.00 34.43 H new ATOM 0 HD11 LEU A 67 22.214 15.807 4.562 1.00 75.43 H new ATOM 0 HD12 LEU A 67 21.574 15.904 6.220 1.00 75.43 H new ATOM 0 HD13 LEU A 67 20.679 16.652 4.875 1.00 75.43 H new ATOM 0 HD21 LEU A 67 23.166 17.807 3.472 1.00 65.24 H new ATOM 0 HD22 LEU A 67 21.668 18.727 3.745 1.00 65.24 H new ATOM 0 HD23 LEU A 67 23.222 19.362 4.336 1.00 65.24 H new ATOM 1054 N HIS A 68 23.658 18.712 9.125 1.00 44.41 N ATOM 1055 CA HIS A 68 25.004 18.503 9.649 1.00 54.43 C ATOM 1056 C HIS A 68 24.966 17.679 10.932 1.00 34.44 C ATOM 1057 O HIS A 68 25.949 17.034 11.297 1.00 32.05 O ATOM 1058 CB HIS A 68 25.686 19.846 9.909 1.00 24.44 C ATOM 1059 CG HIS A 68 27.059 19.717 10.492 1.00 41.21 C ATOM 1060 ND1 HIS A 68 27.294 19.570 11.843 1.00 23.34 N ATOM 1061 CD2 HIS A 68 28.275 19.712 9.899 1.00 44.33 C ATOM 1062 CE1 HIS A 68 28.595 19.482 12.056 1.00 75.00 C ATOM 1063 NE2 HIS A 68 29.213 19.564 10.891 1.00 62.40 N ATOM 0 H HIS A 68 23.251 19.618 9.356 1.00 44.41 H new ATOM 0 HA HIS A 68 25.577 17.952 8.903 1.00 54.43 H new ATOM 0 HB2 HIS A 68 25.748 20.400 8.972 1.00 24.44 H new ATOM 0 HB3 HIS A 68 25.066 20.434 10.586 1.00 24.44 H new ATOM 0 HD2 HIS A 68 28.472 19.807 8.841 1.00 44.33 H new ATOM 0 HE1 HIS A 68 29.072 19.363 13.018 1.00 75.00 H new ATOM 0 HE2 HIS A 68 30.223 19.524 10.751 1.00 62.40 H new ATOM 1071 N LEU A 69 23.825 17.707 11.613 1.00 43.21 N ATOM 1072 CA LEU A 69 23.659 16.964 12.857 1.00 51.20 C ATOM 1073 C LEU A 69 24.053 15.501 12.675 1.00 13.32 C ATOM 1074 O LEU A 69 24.953 14.988 13.338 1.00 43.14 O ATOM 1075 CB LEU A 69 22.211 17.057 13.341 1.00 11.13 C ATOM 1076 CG LEU A 69 21.964 17.961 14.548 1.00 25.51 C ATOM 1077 CD1 LEU A 69 20.723 18.813 14.334 1.00 12.32 C ATOM 1078 CD2 LEU A 69 21.830 17.130 15.817 1.00 10.44 C ATOM 0 H LEU A 69 23.002 18.236 11.325 1.00 43.21 H new ATOM 0 HA LEU A 69 24.315 17.408 13.606 1.00 51.20 H new ATOM 0 HB2 LEU A 69 21.595 17.411 12.515 1.00 11.13 H new ATOM 0 HB3 LEU A 69 21.866 16.053 13.588 1.00 11.13 H new ATOM 0 HG LEU A 69 22.820 18.626 14.660 1.00 25.51 H new ATOM 0 HD11 LEU A 69 20.564 19.450 15.204 1.00 12.32 H new ATOM 0 HD12 LEU A 69 20.857 19.435 13.449 1.00 12.32 H new ATOM 0 HD13 LEU A 69 19.857 18.166 14.195 1.00 12.32 H new ATOM 0 HD21 LEU A 69 21.654 17.789 16.667 1.00 10.44 H new ATOM 0 HD22 LEU A 69 20.992 16.440 15.714 1.00 10.44 H new ATOM 0 HD23 LEU A 69 22.747 16.564 15.980 1.00 10.44 H new ATOM 1090 N PRO A 70 23.363 14.814 11.751 1.00 31.12 N ATOM 1091 CA PRO A 70 23.625 13.402 11.458 1.00 3.22 C ATOM 1092 C PRO A 70 24.963 13.194 10.756 1.00 13.34 C ATOM 1093 O PRO A 70 25.326 13.950 9.853 1.00 21.42 O ATOM 1094 CB PRO A 70 22.469 13.012 10.533 1.00 43.12 C ATOM 1095 CG PRO A 70 22.047 14.291 9.895 1.00 74.14 C ATOM 1096 CD PRO A 70 22.276 15.362 10.923 1.00 21.20 C ATOM 0 HA PRO A 70 23.684 12.801 12.366 1.00 3.22 H new ATOM 0 HB2 PRO A 70 22.787 12.284 9.787 1.00 43.12 H new ATOM 0 HB3 PRO A 70 21.650 12.559 11.092 1.00 43.12 H new ATOM 0 HG2 PRO A 70 22.626 14.486 8.992 1.00 74.14 H new ATOM 0 HG3 PRO A 70 20.999 14.252 9.599 1.00 74.14 H new ATOM 0 HD2 PRO A 70 22.560 16.308 10.461 1.00 21.20 H new ATOM 0 HD3 PRO A 70 21.379 15.552 11.512 1.00 21.20 H new ATOM 1232 N PRO A 79 19.774 8.616 15.945 1.00 35.01 N ATOM 1233 CA PRO A 79 18.417 8.440 16.470 1.00 71.04 C ATOM 1234 C PRO A 79 17.592 9.719 16.387 1.00 13.22 C ATOM 1235 O PRO A 79 17.579 10.523 17.321 1.00 53.35 O ATOM 1236 CB PRO A 79 18.651 8.048 17.931 1.00 71.31 C ATOM 1237 CG PRO A 79 19.979 8.628 18.271 1.00 44.44 C ATOM 1238 CD PRO A 79 20.793 8.571 17.007 1.00 34.41 C ATOM 0 HA PRO A 79 17.852 7.701 15.901 1.00 71.04 H new ATOM 0 HB2 PRO A 79 17.868 8.445 18.578 1.00 71.31 H new ATOM 0 HB3 PRO A 79 18.648 6.965 18.056 1.00 71.31 H new ATOM 0 HG2 PRO A 79 19.878 9.654 18.624 1.00 44.44 H new ATOM 0 HG3 PRO A 79 20.459 8.062 19.070 1.00 44.44 H new ATOM 0 HD2 PRO A 79 21.485 9.410 16.936 1.00 34.41 H new ATOM 0 HD3 PRO A 79 21.390 7.660 16.954 1.00 34.41 H new ATOM 1246 N TYR A 80 16.904 9.902 15.266 1.00 31.42 N ATOM 1247 CA TYR A 80 16.077 11.086 15.061 1.00 52.23 C ATOM 1248 C TYR A 80 14.637 10.696 14.742 1.00 52.44 C ATOM 1249 O TYR A 80 14.297 9.514 14.692 1.00 64.12 O ATOM 1250 CB TYR A 80 16.648 11.944 13.931 1.00 42.14 C ATOM 1251 CG TYR A 80 17.214 13.264 14.399 1.00 1.23 C ATOM 1252 CD1 TYR A 80 18.286 13.308 15.283 1.00 24.14 C ATOM 1253 CD2 TYR A 80 16.678 14.468 13.960 1.00 3.54 C ATOM 1254 CE1 TYR A 80 18.807 14.513 15.715 1.00 73.42 C ATOM 1255 CE2 TYR A 80 17.193 15.677 14.385 1.00 23.10 C ATOM 1256 CZ TYR A 80 18.258 15.694 15.263 1.00 14.53 C ATOM 1257 OH TYR A 80 18.773 16.897 15.690 1.00 71.31 O ATOM 0 H TYR A 80 16.902 9.246 14.485 1.00 31.42 H new ATOM 0 HA TYR A 80 16.081 11.665 15.984 1.00 52.23 H new ATOM 0 HB2 TYR A 80 17.431 11.383 13.421 1.00 42.14 H new ATOM 0 HB3 TYR A 80 15.863 12.134 13.199 1.00 42.14 H new ATOM 0 HD1 TYR A 80 18.719 12.385 15.638 1.00 24.14 H new ATOM 0 HD2 TYR A 80 15.844 14.459 13.274 1.00 3.54 H new ATOM 0 HE1 TYR A 80 19.640 14.529 16.403 1.00 73.42 H new ATOM 0 HE2 TYR A 80 16.765 16.604 14.032 1.00 23.10 H new ATOM 0 HH TYR A 80 18.062 17.571 15.703 1.00 71.31 H new ATOM 1267 N VAL A 81 13.794 11.700 14.523 1.00 33.43 N ATOM 1268 CA VAL A 81 12.390 11.464 14.205 1.00 32.53 C ATOM 1269 C VAL A 81 11.713 12.742 13.724 1.00 4.00 C ATOM 1270 O VAL A 81 11.899 13.813 14.304 1.00 61.32 O ATOM 1271 CB VAL A 81 11.623 10.917 15.425 1.00 33.13 C ATOM 1272 CG1 VAL A 81 11.552 11.966 16.525 1.00 34.30 C ATOM 1273 CG2 VAL A 81 10.229 10.465 15.017 1.00 43.21 C ATOM 0 H VAL A 81 14.058 12.684 14.560 1.00 33.43 H new ATOM 0 HA VAL A 81 12.366 10.722 13.407 1.00 32.53 H new ATOM 0 HB VAL A 81 12.161 10.053 15.815 1.00 33.13 H new ATOM 0 HG11 VAL A 81 11.007 11.562 17.378 1.00 34.30 H new ATOM 0 HG12 VAL A 81 12.561 12.237 16.835 1.00 34.30 H new ATOM 0 HG13 VAL A 81 11.037 12.851 16.151 1.00 34.30 H new ATOM 0 HG21 VAL A 81 9.701 10.082 15.890 1.00 43.21 H new ATOM 0 HG22 VAL A 81 9.679 11.310 14.603 1.00 43.21 H new ATOM 0 HG23 VAL A 81 10.307 9.679 14.266 1.00 43.21 H new ATOM 1283 N PHE A 82 10.926 12.624 12.660 1.00 10.13 N ATOM 1284 CA PHE A 82 10.221 13.771 12.100 1.00 51.24 C ATOM 1285 C PHE A 82 8.831 13.908 12.713 1.00 71.14 C ATOM 1286 O PHE A 82 8.210 12.917 13.100 1.00 54.52 O ATOM 1287 CB PHE A 82 10.108 13.634 10.580 1.00 3.31 C ATOM 1288 CG PHE A 82 11.434 13.474 9.892 1.00 3.14 C ATOM 1289 CD1 PHE A 82 12.326 14.532 9.823 1.00 22.14 C ATOM 1290 CD2 PHE A 82 11.788 12.266 9.314 1.00 62.04 C ATOM 1291 CE1 PHE A 82 13.547 14.388 9.192 1.00 13.04 C ATOM 1292 CE2 PHE A 82 13.008 12.117 8.681 1.00 64.44 C ATOM 1293 CZ PHE A 82 13.888 13.179 8.620 1.00 50.33 C ATOM 0 H PHE A 82 10.760 11.746 12.168 1.00 10.13 H new ATOM 0 HA PHE A 82 10.793 14.668 12.337 1.00 51.24 H new ATOM 0 HB2 PHE A 82 9.480 12.774 10.346 1.00 3.31 H new ATOM 0 HB3 PHE A 82 9.604 14.514 10.180 1.00 3.31 H new ATOM 0 HD1 PHE A 82 12.064 15.481 10.268 1.00 22.14 H new ATOM 0 HD2 PHE A 82 11.104 11.432 9.358 1.00 62.04 H new ATOM 0 HE1 PHE A 82 14.234 15.220 9.146 1.00 13.04 H new ATOM 0 HE2 PHE A 82 13.273 11.170 8.234 1.00 64.44 H new ATOM 0 HZ PHE A 82 14.841 13.064 8.126 1.00 50.33 H new ATOM 1303 N VAL A 83 8.349 15.143 12.802 1.00 73.23 N ATOM 1304 CA VAL A 83 7.032 15.411 13.368 1.00 62.22 C ATOM 1305 C VAL A 83 6.306 16.499 12.583 1.00 44.24 C ATOM 1306 O VAL A 83 6.920 17.464 12.128 1.00 43.52 O ATOM 1307 CB VAL A 83 7.132 15.840 14.844 1.00 41.45 C ATOM 1308 CG1 VAL A 83 7.671 14.700 15.695 1.00 24.41 C ATOM 1309 CG2 VAL A 83 8.006 17.077 14.981 1.00 12.20 C ATOM 0 H VAL A 83 8.851 15.974 12.489 1.00 73.23 H new ATOM 0 HA VAL A 83 6.466 14.482 13.304 1.00 62.22 H new ATOM 0 HB VAL A 83 6.133 16.088 15.201 1.00 41.45 H new ATOM 0 HG11 VAL A 83 7.735 15.021 16.735 1.00 24.41 H new ATOM 0 HG12 VAL A 83 7.002 13.843 15.620 1.00 24.41 H new ATOM 0 HG13 VAL A 83 8.663 14.419 15.340 1.00 24.41 H new ATOM 0 HG21 VAL A 83 8.066 17.366 16.030 1.00 12.20 H new ATOM 0 HG22 VAL A 83 9.006 16.859 14.607 1.00 12.20 H new ATOM 0 HG23 VAL A 83 7.573 17.894 14.404 1.00 12.20 H new ATOM 1319 N ARG A 84 4.997 16.336 12.428 1.00 25.10 N ATOM 1320 CA ARG A 84 4.188 17.303 11.698 1.00 14.02 C ATOM 1321 C ARG A 84 3.612 18.354 12.642 1.00 30.14 C ATOM 1322 O ARG A 84 2.407 18.603 12.650 1.00 1.02 O ATOM 1323 CB ARG A 84 3.054 16.594 10.955 1.00 54.21 C ATOM 1324 CG ARG A 84 2.535 17.368 9.754 1.00 51.15 C ATOM 1325 CD ARG A 84 1.407 16.624 9.057 1.00 73.42 C ATOM 1326 NE ARG A 84 1.733 16.313 7.667 1.00 22.41 N ATOM 1327 CZ ARG A 84 1.811 17.228 6.708 1.00 24.15 C ATOM 1328 NH1 ARG A 84 1.589 18.505 6.987 1.00 1.41 N ATOM 1329 NH2 ARG A 84 2.113 16.867 5.468 1.00 43.13 N ATOM 0 H ARG A 84 4.474 15.543 12.799 1.00 25.10 H new ATOM 0 HA ARG A 84 4.831 17.803 10.974 1.00 14.02 H new ATOM 0 HB2 ARG A 84 3.404 15.617 10.623 1.00 54.21 H new ATOM 0 HB3 ARG A 84 2.231 16.419 11.648 1.00 54.21 H new ATOM 0 HG2 ARG A 84 2.182 18.348 10.076 1.00 51.15 H new ATOM 0 HG3 ARG A 84 3.349 17.538 9.050 1.00 51.15 H new ATOM 0 HD2 ARG A 84 1.195 15.700 9.595 1.00 73.42 H new ATOM 0 HD3 ARG A 84 0.500 17.227 9.090 1.00 73.42 H new ATOM 0 HE ARG A 84 1.910 15.339 7.420 1.00 22.41 H new ATOM 0 HH11 ARG A 84 1.358 18.786 7.940 1.00 1.41 H new ATOM 0 HH12 ARG A 84 1.649 19.206 6.249 1.00 1.41 H new ATOM 0 HH21 ARG A 84 2.286 15.886 5.250 1.00 43.13 H new ATOM 0 HH22 ARG A 84 2.173 17.571 4.732 1.00 43.13 H new ATOM 1343 N SER A 85 4.483 18.969 13.437 1.00 60.23 N ATOM 1344 CA SER A 85 4.061 19.990 14.389 1.00 63.21 C ATOM 1345 C SER A 85 5.253 20.816 14.863 1.00 14.44 C ATOM 1346 O SER A 85 6.147 20.308 15.540 1.00 13.40 O ATOM 1347 CB SER A 85 3.365 19.343 15.589 1.00 45.44 C ATOM 1348 OG SER A 85 4.141 18.280 16.115 1.00 41.13 O ATOM 0 H SER A 85 5.485 18.778 13.440 1.00 60.23 H new ATOM 0 HA SER A 85 3.358 20.653 13.885 1.00 63.21 H new ATOM 0 HB2 SER A 85 3.196 20.092 16.363 1.00 45.44 H new ATOM 0 HB3 SER A 85 2.386 18.969 15.288 1.00 45.44 H new ATOM 0 HG SER A 85 5.080 18.556 16.169 1.00 41.13 H new ATOM 1354 N LYS A 86 5.258 22.095 14.501 1.00 51.23 N ATOM 1355 CA LYS A 86 6.338 22.995 14.887 1.00 62.40 C ATOM 1356 C LYS A 86 5.816 24.122 15.774 1.00 71.12 C ATOM 1357 O LYS A 86 6.524 24.609 16.654 1.00 65.25 O ATOM 1358 CB LYS A 86 7.013 23.581 13.645 1.00 33.41 C ATOM 1359 CG LYS A 86 6.109 24.498 12.838 1.00 31.22 C ATOM 1360 CD LYS A 86 6.782 24.956 11.556 1.00 42.41 C ATOM 1361 CE LYS A 86 7.592 26.225 11.774 1.00 15.20 C ATOM 1362 NZ LYS A 86 7.895 26.918 10.491 1.00 34.22 N ATOM 0 H LYS A 86 4.526 22.531 13.941 1.00 51.23 H new ATOM 0 HA LYS A 86 7.071 22.419 15.453 1.00 62.40 H new ATOM 0 HB2 LYS A 86 7.900 24.136 13.951 1.00 33.41 H new ATOM 0 HB3 LYS A 86 7.352 22.765 13.007 1.00 33.41 H new ATOM 0 HG2 LYS A 86 5.182 23.977 12.598 1.00 31.22 H new ATOM 0 HG3 LYS A 86 5.840 25.366 13.439 1.00 31.22 H new ATOM 0 HD2 LYS A 86 7.435 24.166 11.184 1.00 42.41 H new ATOM 0 HD3 LYS A 86 6.027 25.132 10.790 1.00 42.41 H new ATOM 0 HE2 LYS A 86 7.041 26.899 12.429 1.00 15.20 H new ATOM 0 HE3 LYS A 86 8.524 25.978 12.282 1.00 15.20 H new ATOM 0 HZ1 LYS A 86 8.448 27.778 10.683 1.00 34.22 H new ATOM 0 HZ2 LYS A 86 8.443 26.284 9.875 1.00 34.22 H new ATOM 0 HZ3 LYS A 86 7.006 27.177 10.018 1.00 34.22 H new ATOM 1376 N GLN A 87 4.574 24.529 15.535 1.00 73.34 N ATOM 1377 CA GLN A 87 3.957 25.596 16.313 1.00 5.25 C ATOM 1378 C GLN A 87 3.803 25.187 17.774 1.00 65.41 C ATOM 1379 O GLN A 87 4.219 25.911 18.679 1.00 61.03 O ATOM 1380 CB GLN A 87 2.592 25.961 15.727 1.00 20.10 C ATOM 1381 CG GLN A 87 2.325 27.458 15.691 1.00 42.15 C ATOM 1382 CD GLN A 87 2.801 28.104 14.405 1.00 54.23 C ATOM 1383 OE1 GLN A 87 3.763 27.647 13.786 1.00 14.33 O ATOM 1384 NE2 GLN A 87 2.129 29.173 13.995 1.00 22.43 N ATOM 0 H GLN A 87 3.975 24.136 14.809 1.00 73.34 H new ATOM 0 HA GLN A 87 4.610 26.468 16.266 1.00 5.25 H new ATOM 0 HB2 GLN A 87 2.523 25.564 14.714 1.00 20.10 H new ATOM 0 HB3 GLN A 87 1.812 25.475 16.314 1.00 20.10 H new ATOM 0 HG2 GLN A 87 1.256 27.636 15.809 1.00 42.15 H new ATOM 0 HG3 GLN A 87 2.822 27.932 16.537 1.00 42.15 H new ATOM 0 HE21 GLN A 87 1.338 29.518 14.539 1.00 22.43 H new ATOM 0 HE22 GLN A 87 2.404 29.650 13.136 1.00 22.43 H new ATOM 1393 N ALA A 88 3.202 24.022 17.997 1.00 3.33 N ATOM 1394 CA ALA A 88 2.996 23.517 19.348 1.00 54.13 C ATOM 1395 C ALA A 88 4.322 23.166 20.012 1.00 64.24 C ATOM 1396 O ALA A 88 4.476 23.301 21.227 1.00 34.15 O ATOM 1397 CB ALA A 88 2.078 22.302 19.321 1.00 23.52 C ATOM 0 H ALA A 88 2.850 23.411 17.260 1.00 3.33 H new ATOM 0 HA ALA A 88 2.524 24.304 19.936 1.00 54.13 H new ATOM 0 HB1 ALA A 88 1.932 21.934 20.336 1.00 23.52 H new ATOM 0 HB2 ALA A 88 1.115 22.583 18.895 1.00 23.52 H new ATOM 0 HB3 ALA A 88 2.529 21.518 18.712 1.00 23.52 H new ATOM 1403 N LEU A 89 5.279 22.711 19.209 1.00 20.24 N ATOM 1404 CA LEU A 89 6.594 22.340 19.720 1.00 32.52 C ATOM 1405 C LEU A 89 7.191 23.466 20.558 1.00 32.41 C ATOM 1406 O LEU A 89 7.692 23.236 21.658 1.00 44.24 O ATOM 1407 CB LEU A 89 7.534 21.997 18.563 1.00 14.22 C ATOM 1408 CG LEU A 89 8.958 21.600 18.950 1.00 63.32 C ATOM 1409 CD1 LEU A 89 8.950 20.325 19.779 1.00 25.32 C ATOM 1410 CD2 LEU A 89 9.819 21.425 17.708 1.00 44.20 C ATOM 0 H LEU A 89 5.168 22.590 18.202 1.00 20.24 H new ATOM 0 HA LEU A 89 6.475 21.463 20.356 1.00 32.52 H new ATOM 0 HB2 LEU A 89 7.093 21.179 17.993 1.00 14.22 H new ATOM 0 HB3 LEU A 89 7.587 22.858 17.897 1.00 14.22 H new ATOM 0 HG LEU A 89 9.386 22.400 19.555 1.00 63.32 H new ATOM 0 HD11 LEU A 89 9.973 20.058 20.045 1.00 25.32 H new ATOM 0 HD12 LEU A 89 8.369 20.485 20.687 1.00 25.32 H new ATOM 0 HD13 LEU A 89 8.503 19.517 19.200 1.00 25.32 H new ATOM 0 HD21 LEU A 89 10.830 21.142 18.003 1.00 44.20 H new ATOM 0 HD22 LEU A 89 9.393 20.645 17.077 1.00 44.20 H new ATOM 0 HD23 LEU A 89 9.852 22.363 17.153 1.00 44.20 H new ATOM 1422 N GLY A 90 7.131 24.686 20.031 1.00 70.54 N ATOM 1423 CA GLY A 90 7.667 25.829 20.746 1.00 55.43 C ATOM 1424 C GLY A 90 6.730 26.329 21.827 1.00 65.35 C ATOM 1425 O GLY A 90 7.164 26.644 22.935 1.00 25.22 O ATOM 0 H GLY A 90 6.721 24.902 19.122 1.00 70.54 H new ATOM 0 HA2 GLY A 90 8.622 25.557 21.195 1.00 55.43 H new ATOM 0 HA3 GLY A 90 7.865 26.635 20.040 1.00 55.43 H new ATOM 1429 N ARG A 91 5.443 26.401 21.507 1.00 22.10 N ATOM 1430 CA ARG A 91 4.443 26.869 22.459 1.00 64.12 C ATOM 1431 C ARG A 91 4.539 26.095 23.771 1.00 25.25 C ATOM 1432 O ARG A 91 4.327 26.651 24.848 1.00 63.20 O ATOM 1433 CB ARG A 91 3.039 26.723 21.871 1.00 53.24 C ATOM 1434 CG ARG A 91 2.581 27.937 21.079 1.00 63.33 C ATOM 1435 CD ARG A 91 1.465 27.582 20.110 1.00 41.00 C ATOM 1436 NE ARG A 91 0.144 27.802 20.692 1.00 51.04 N ATOM 1437 CZ ARG A 91 -0.993 27.588 20.038 1.00 42.44 C ATOM 1438 NH1 ARG A 91 -0.969 27.149 18.787 1.00 42.33 N ATOM 1439 NH2 ARG A 91 -2.156 27.810 20.635 1.00 21.25 N ATOM 0 H ARG A 91 5.067 26.141 20.595 1.00 22.10 H new ATOM 0 HA ARG A 91 4.636 27.922 22.662 1.00 64.12 H new ATOM 0 HB2 ARG A 91 3.015 25.847 21.223 1.00 53.24 H new ATOM 0 HB3 ARG A 91 2.332 26.540 22.681 1.00 53.24 H new ATOM 0 HG2 ARG A 91 2.236 28.711 21.765 1.00 63.33 H new ATOM 0 HG3 ARG A 91 3.425 28.352 20.528 1.00 63.33 H new ATOM 0 HD2 ARG A 91 1.567 28.181 19.205 1.00 41.00 H new ATOM 0 HD3 ARG A 91 1.561 26.538 19.813 1.00 41.00 H new ATOM 0 HE ARG A 91 0.091 28.138 21.653 1.00 51.04 H new ATOM 0 HH11 ARG A 91 -0.077 26.975 18.325 1.00 42.33 H new ATOM 0 HH12 ARG A 91 -1.843 26.985 18.287 1.00 42.33 H new ATOM 0 HH21 ARG A 91 -2.179 28.146 21.598 1.00 21.25 H new ATOM 0 HH22 ARG A 91 -3.027 27.645 20.131 1.00 21.25 H new ATOM 1453 N ALA A 92 4.861 24.809 23.672 1.00 31.11 N ATOM 1454 CA ALA A 92 4.987 23.960 24.851 1.00 10.42 C ATOM 1455 C ALA A 92 6.322 24.188 25.552 1.00 41.33 C ATOM 1456 O ALA A 92 6.414 24.102 26.777 1.00 74.01 O ATOM 1457 CB ALA A 92 4.834 22.496 24.464 1.00 4.33 C ATOM 0 H ALA A 92 5.039 24.332 22.788 1.00 31.11 H new ATOM 0 HA ALA A 92 4.192 24.226 25.548 1.00 10.42 H new ATOM 0 HB1 ALA A 92 4.930 21.873 25.353 1.00 4.33 H new ATOM 0 HB2 ALA A 92 3.853 22.339 24.015 1.00 4.33 H new ATOM 0 HB3 ALA A 92 5.609 22.226 23.746 1.00 4.33 H new ATOM 1463 N CYS A 93 7.355 24.478 24.768 1.00 14.34 N ATOM 1464 CA CYS A 93 8.686 24.718 25.314 1.00 75.14 C ATOM 1465 C CYS A 93 8.694 25.956 26.203 1.00 3.04 C ATOM 1466 O CYS A 93 9.518 26.078 27.108 1.00 63.41 O ATOM 1467 CB CYS A 93 9.702 24.879 24.182 1.00 32.25 C ATOM 1468 SG CYS A 93 11.135 23.785 24.314 1.00 5.11 S ATOM 0 H CYS A 93 7.296 24.553 23.752 1.00 14.34 H new ATOM 0 HA CYS A 93 8.964 23.857 25.922 1.00 75.14 H new ATOM 0 HB2 CYS A 93 9.203 24.693 23.231 1.00 32.25 H new ATOM 0 HB3 CYS A 93 10.048 25.912 24.163 1.00 32.25 H new ATOM 0 HG CYS A 93 11.935 23.994 23.311 1.00 5.11 H new ATOM 1474 N GLY A 94 7.772 26.876 25.938 1.00 34.11 N ATOM 1475 CA GLY A 94 7.691 28.095 26.721 1.00 70.04 C ATOM 1476 C GLY A 94 8.268 29.291 25.992 1.00 22.35 C ATOM 1477 O GLY A 94 9.049 30.056 26.559 1.00 3.23 O ATOM 0 H GLY A 94 7.079 26.799 25.194 1.00 34.11 H new ATOM 0 HA2 GLY A 94 6.649 28.294 26.971 1.00 70.04 H new ATOM 0 HA3 GLY A 94 8.224 27.955 27.662 1.00 70.04 H new ATOM 1481 N VAL A 95 7.882 29.455 24.730 1.00 4.34 N ATOM 1482 CA VAL A 95 8.367 30.568 23.922 1.00 3.40 C ATOM 1483 C VAL A 95 7.248 31.157 23.070 1.00 31.41 C ATOM 1484 O VAL A 95 6.174 30.570 22.946 1.00 71.44 O ATOM 1485 CB VAL A 95 9.522 30.132 23.000 1.00 24.31 C ATOM 1486 CG1 VAL A 95 10.799 29.933 23.803 1.00 63.23 C ATOM 1487 CG2 VAL A 95 9.151 28.863 22.248 1.00 44.40 C ATOM 0 H VAL A 95 7.236 28.832 24.246 1.00 4.34 H new ATOM 0 HA VAL A 95 8.731 31.326 24.615 1.00 3.40 H new ATOM 0 HB VAL A 95 9.700 30.921 22.269 1.00 24.31 H new ATOM 0 HG11 VAL A 95 11.604 29.625 23.136 1.00 63.23 H new ATOM 0 HG12 VAL A 95 11.071 30.868 24.292 1.00 63.23 H new ATOM 0 HG13 VAL A 95 10.638 29.163 24.557 1.00 63.23 H new ATOM 0 HG21 VAL A 95 9.977 28.569 21.601 1.00 44.40 H new ATOM 0 HG22 VAL A 95 8.946 28.064 22.961 1.00 44.40 H new ATOM 0 HG23 VAL A 95 8.263 29.045 21.642 1.00 44.40 H new ATOM 1497 N SER A 96 7.507 32.322 22.486 1.00 1.32 N ATOM 1498 CA SER A 96 6.520 32.993 21.648 1.00 1.31 C ATOM 1499 C SER A 96 6.506 32.399 20.243 1.00 74.52 C ATOM 1500 O SER A 96 5.444 32.214 19.647 1.00 42.13 O ATOM 1501 CB SER A 96 6.816 34.493 21.577 1.00 74.10 C ATOM 1502 OG SER A 96 5.794 35.245 22.207 1.00 73.42 O ATOM 0 H SER A 96 8.392 32.821 22.577 1.00 1.32 H new ATOM 0 HA SER A 96 5.538 32.844 22.096 1.00 1.31 H new ATOM 0 HB2 SER A 96 7.773 34.701 22.056 1.00 74.10 H new ATOM 0 HB3 SER A 96 6.908 34.800 20.535 1.00 74.10 H new ATOM 0 HG SER A 96 6.008 36.200 22.149 1.00 73.42 H new ATOM 1508 N ARG A 97 7.690 32.103 19.720 1.00 64.14 N ATOM 1509 CA ARG A 97 7.815 31.530 18.385 1.00 22.12 C ATOM 1510 C ARG A 97 8.236 30.065 18.459 1.00 31.44 C ATOM 1511 O ARG A 97 8.762 29.595 19.468 1.00 73.35 O ATOM 1512 CB ARG A 97 8.831 32.323 17.560 1.00 21.34 C ATOM 1513 CG ARG A 97 8.210 33.445 16.745 1.00 52.14 C ATOM 1514 CD ARG A 97 8.969 33.676 15.447 1.00 23.13 C ATOM 1515 NE ARG A 97 8.387 32.934 14.333 1.00 33.52 N ATOM 1516 CZ ARG A 97 7.271 33.299 13.710 1.00 71.02 C ATOM 1517 NH1 ARG A 97 6.623 34.392 14.089 1.00 63.52 N ATOM 1518 NH2 ARG A 97 6.803 32.571 12.704 1.00 10.22 N ATOM 0 H ARG A 97 8.578 32.250 20.200 1.00 64.14 H new ATOM 0 HA ARG A 97 6.840 31.586 17.900 1.00 22.12 H new ATOM 0 HB2 ARG A 97 9.581 32.744 18.230 1.00 21.34 H new ATOM 0 HB3 ARG A 97 9.351 31.641 16.887 1.00 21.34 H new ATOM 0 HG2 ARG A 97 7.171 33.202 16.522 1.00 52.14 H new ATOM 0 HG3 ARG A 97 8.204 34.363 17.333 1.00 52.14 H new ATOM 0 HD2 ARG A 97 8.970 34.740 15.212 1.00 23.13 H new ATOM 0 HD3 ARG A 97 10.009 33.377 15.577 1.00 23.13 H new ATOM 0 HE ARG A 97 8.863 32.089 14.015 1.00 33.52 H new ATOM 0 HH11 ARG A 97 6.981 34.955 14.861 1.00 63.52 H new ATOM 0 HH12 ARG A 97 5.767 34.670 13.609 1.00 63.52 H new ATOM 0 HH21 ARG A 97 7.300 31.731 12.408 1.00 10.22 H new ATOM 0 HH22 ARG A 97 5.947 32.852 12.226 1.00 10.22 H new ATOM 1532 N PRO A 98 7.999 29.326 17.365 1.00 25.30 N ATOM 1533 CA PRO A 98 8.346 27.904 17.282 1.00 54.45 C ATOM 1534 C PRO A 98 9.853 27.677 17.228 1.00 62.32 C ATOM 1535 O PRO A 98 10.624 28.610 17.007 1.00 11.44 O ATOM 1536 CB PRO A 98 7.692 27.456 15.972 1.00 33.45 C ATOM 1537 CG PRO A 98 7.596 28.697 15.152 1.00 62.31 C ATOM 1538 CD PRO A 98 7.376 29.821 16.127 1.00 51.21 C ATOM 0 HA PRO A 98 8.006 27.350 18.157 1.00 54.45 H new ATOM 0 HB2 PRO A 98 8.291 26.696 15.471 1.00 33.45 H new ATOM 0 HB3 PRO A 98 6.708 27.022 16.149 1.00 33.45 H new ATOM 0 HG2 PRO A 98 8.507 28.854 14.574 1.00 62.31 H new ATOM 0 HG3 PRO A 98 6.774 28.632 14.440 1.00 62.31 H new ATOM 0 HD2 PRO A 98 7.841 30.746 15.785 1.00 51.21 H new ATOM 0 HD3 PRO A 98 6.315 30.030 16.267 1.00 51.21 H new ATOM 1546 N VAL A 99 10.266 26.430 17.433 1.00 14.31 N ATOM 1547 CA VAL A 99 11.681 26.080 17.406 1.00 63.53 C ATOM 1548 C VAL A 99 12.011 25.217 16.194 1.00 64.11 C ATOM 1549 O VAL A 99 11.217 24.368 15.789 1.00 14.33 O ATOM 1550 CB VAL A 99 12.097 25.329 18.686 1.00 62.33 C ATOM 1551 CG1 VAL A 99 11.331 24.021 18.811 1.00 1.30 C ATOM 1552 CG2 VAL A 99 13.598 25.080 18.693 1.00 55.01 C ATOM 0 H VAL A 99 9.641 25.646 17.619 1.00 14.31 H new ATOM 0 HA VAL A 99 12.238 27.015 17.344 1.00 63.53 H new ATOM 0 HB VAL A 99 11.850 25.950 19.547 1.00 62.33 H new ATOM 0 HG11 VAL A 99 11.638 23.505 19.721 1.00 1.30 H new ATOM 0 HG12 VAL A 99 10.262 24.228 18.855 1.00 1.30 H new ATOM 0 HG13 VAL A 99 11.543 23.391 17.947 1.00 1.30 H new ATOM 0 HG21 VAL A 99 13.874 24.549 19.604 1.00 55.01 H new ATOM 0 HG22 VAL A 99 13.871 24.479 17.825 1.00 55.01 H new ATOM 0 HG23 VAL A 99 14.125 26.033 18.655 1.00 55.01 H new ATOM 1562 N ILE A 100 13.189 25.439 15.620 1.00 65.23 N ATOM 1563 CA ILE A 100 13.626 24.680 14.455 1.00 13.10 C ATOM 1564 C ILE A 100 14.078 23.278 14.849 1.00 50.21 C ATOM 1565 O ILE A 100 13.734 22.295 14.192 1.00 25.45 O ATOM 1566 CB ILE A 100 14.776 25.390 13.719 1.00 13.43 C ATOM 1567 CG1 ILE A 100 14.421 26.857 13.467 1.00 22.23 C ATOM 1568 CG2 ILE A 100 15.085 24.682 12.408 1.00 31.02 C ATOM 1569 CD1 ILE A 100 13.167 27.042 12.640 1.00 23.51 C ATOM 0 H ILE A 100 13.858 26.138 15.943 1.00 65.23 H new ATOM 0 HA ILE A 100 12.768 24.608 13.787 1.00 13.10 H new ATOM 0 HB ILE A 100 15.666 25.353 14.347 1.00 13.43 H new ATOM 0 HG12 ILE A 100 14.292 27.361 14.425 1.00 22.23 H new ATOM 0 HG13 ILE A 100 15.255 27.343 12.961 1.00 22.23 H new ATOM 0 HG21 ILE A 100 15.900 25.197 11.900 1.00 31.02 H new ATOM 0 HG22 ILE A 100 15.377 23.652 12.611 1.00 31.02 H new ATOM 0 HG23 ILE A 100 14.199 24.690 11.773 1.00 31.02 H new ATOM 0 HD11 ILE A 100 12.976 28.106 12.501 1.00 23.51 H new ATOM 0 HD12 ILE A 100 13.299 26.567 11.668 1.00 23.51 H new ATOM 0 HD13 ILE A 100 12.321 26.586 13.155 1.00 23.51 H new ATOM 1581 N ALA A 101 14.850 23.193 15.928 1.00 1.04 N ATOM 1582 CA ALA A 101 15.347 21.911 16.413 1.00 52.22 C ATOM 1583 C ALA A 101 15.535 21.933 17.926 1.00 60.11 C ATOM 1584 O ALA A 101 16.294 22.746 18.455 1.00 34.24 O ATOM 1585 CB ALA A 101 16.655 21.556 15.721 1.00 23.24 C ATOM 0 H ALA A 101 15.145 23.997 16.483 1.00 1.04 H new ATOM 0 HA ALA A 101 14.605 21.148 16.176 1.00 52.22 H new ATOM 0 HB1 ALA A 101 17.015 20.597 16.093 1.00 23.24 H new ATOM 0 HB2 ALA A 101 16.491 21.490 14.645 1.00 23.24 H new ATOM 0 HB3 ALA A 101 17.397 22.327 15.929 1.00 23.24 H new ATOM 1591 N CYS A 102 14.840 21.035 18.616 1.00 44.35 N ATOM 1592 CA CYS A 102 14.931 20.952 20.070 1.00 53.23 C ATOM 1593 C CYS A 102 15.622 19.661 20.498 1.00 23.02 C ATOM 1594 O CYS A 102 15.719 18.710 19.723 1.00 63.40 O ATOM 1595 CB CYS A 102 13.536 21.028 20.693 1.00 10.40 C ATOM 1596 SG CYS A 102 12.405 19.733 20.134 1.00 61.21 S ATOM 0 H CYS A 102 14.208 20.355 18.193 1.00 44.35 H new ATOM 0 HA CYS A 102 15.525 21.795 20.422 1.00 53.23 H new ATOM 0 HB2 CYS A 102 13.631 20.969 21.777 1.00 10.40 H new ATOM 0 HB3 CYS A 102 13.100 22.000 20.463 1.00 10.40 H new ATOM 0 HG CYS A 102 11.699 19.310 21.140 1.00 61.21 H new ATOM 1602 N SER A 103 16.104 19.638 21.737 1.00 3.24 N ATOM 1603 CA SER A 103 16.792 18.467 22.267 1.00 31.45 C ATOM 1604 C SER A 103 16.178 18.031 23.595 1.00 3.31 C ATOM 1605 O SER A 103 15.675 18.855 24.359 1.00 41.01 O ATOM 1606 CB SER A 103 18.281 18.765 22.455 1.00 12.22 C ATOM 1607 OG SER A 103 18.659 19.937 21.751 1.00 60.41 O ATOM 0 H SER A 103 16.031 20.417 22.392 1.00 3.24 H new ATOM 0 HA SER A 103 16.679 17.654 21.549 1.00 31.45 H new ATOM 0 HB2 SER A 103 18.500 18.888 23.516 1.00 12.22 H new ATOM 0 HB3 SER A 103 18.872 17.919 22.103 1.00 12.22 H new ATOM 0 HG SER A 103 19.614 20.107 21.888 1.00 60.41 H new ATOM 1613 N VAL A 104 16.225 16.730 23.863 1.00 4.52 N ATOM 1614 CA VAL A 104 15.676 16.183 25.097 1.00 21.43 C ATOM 1615 C VAL A 104 16.714 15.349 25.839 1.00 53.12 C ATOM 1616 O VAL A 104 17.237 14.370 25.306 1.00 1.44 O ATOM 1617 CB VAL A 104 14.435 15.313 24.822 1.00 61.01 C ATOM 1618 CG1 VAL A 104 13.766 14.908 26.128 1.00 3.30 C ATOM 1619 CG2 VAL A 104 13.457 16.050 23.920 1.00 52.23 C ATOM 0 H VAL A 104 16.638 16.035 23.241 1.00 4.52 H new ATOM 0 HA VAL A 104 15.386 17.031 25.717 1.00 21.43 H new ATOM 0 HB VAL A 104 14.755 14.406 24.309 1.00 61.01 H new ATOM 0 HG11 VAL A 104 12.891 14.294 25.914 1.00 3.30 H new ATOM 0 HG12 VAL A 104 14.469 14.338 26.736 1.00 3.30 H new ATOM 0 HG13 VAL A 104 13.458 15.801 26.671 1.00 3.30 H new ATOM 0 HG21 VAL A 104 12.586 15.421 23.736 1.00 52.23 H new ATOM 0 HG22 VAL A 104 13.141 16.974 24.404 1.00 52.23 H new ATOM 0 HG23 VAL A 104 13.942 16.284 22.972 1.00 52.23 H new ATOM 1629 N THR A 105 17.008 15.742 27.074 1.00 24.54 N ATOM 1630 CA THR A 105 17.985 15.032 27.890 1.00 74.40 C ATOM 1631 C THR A 105 17.298 14.096 28.879 1.00 41.51 C ATOM 1632 O THR A 105 16.241 14.419 29.422 1.00 71.42 O ATOM 1633 CB THR A 105 18.885 16.010 28.667 1.00 61.34 C ATOM 1634 OG1 THR A 105 18.120 16.692 29.668 1.00 41.54 O ATOM 1635 CG2 THR A 105 19.520 17.025 27.729 1.00 54.43 C ATOM 0 H THR A 105 16.583 16.549 27.531 1.00 24.54 H new ATOM 0 HA THR A 105 18.602 14.447 27.208 1.00 74.40 H new ATOM 0 HB THR A 105 19.678 15.435 29.145 1.00 61.34 H new ATOM 0 HG1 THR A 105 18.701 17.311 30.158 1.00 41.54 H new ATOM 0 HG21 THR A 105 20.151 17.705 28.302 1.00 54.43 H new ATOM 0 HG22 THR A 105 20.126 16.505 26.987 1.00 54.43 H new ATOM 0 HG23 THR A 105 18.738 17.593 27.225 1.00 54.43 H new ATOM 1643 N ILE A 106 17.906 12.936 29.109 1.00 32.04 N ATOM 1644 CA ILE A 106 17.353 11.956 30.034 1.00 71.21 C ATOM 1645 C ILE A 106 18.182 11.876 31.312 1.00 12.41 C ATOM 1646 O ILE A 106 19.412 11.838 31.265 1.00 25.34 O ATOM 1647 CB ILE A 106 17.281 10.557 29.394 1.00 64.03 C ATOM 1648 CG1 ILE A 106 16.629 9.564 30.359 1.00 74.01 C ATOM 1649 CG2 ILE A 106 18.672 10.083 28.998 1.00 31.32 C ATOM 1650 CD1 ILE A 106 16.462 8.177 29.777 1.00 63.41 C ATOM 0 H ILE A 106 18.781 12.653 28.667 1.00 32.04 H new ATOM 0 HA ILE A 106 16.344 12.288 30.279 1.00 71.21 H new ATOM 0 HB ILE A 106 16.669 10.616 28.494 1.00 64.03 H new ATOM 0 HG12 ILE A 106 17.233 9.499 31.264 1.00 74.01 H new ATOM 0 HG13 ILE A 106 15.652 9.945 30.655 1.00 74.01 H new ATOM 0 HG21 ILE A 106 18.604 9.093 28.547 1.00 31.32 H new ATOM 0 HG22 ILE A 106 19.103 10.780 28.280 1.00 31.32 H new ATOM 0 HG23 ILE A 106 19.306 10.036 29.883 1.00 31.32 H new ATOM 0 HD11 ILE A 106 15.994 7.526 30.516 1.00 63.41 H new ATOM 0 HD12 ILE A 106 15.833 8.229 28.888 1.00 63.41 H new ATOM 0 HD13 ILE A 106 17.439 7.776 29.507 1.00 63.41 H new ATOM 1662 N LYS A 107 17.501 11.850 32.452 1.00 61.24 N ATOM 1663 CA LYS A 107 18.173 11.771 33.744 1.00 2.51 C ATOM 1664 C LYS A 107 17.774 10.501 34.488 1.00 3.44 C ATOM 1665 O LYS A 107 16.643 10.376 34.956 1.00 44.23 O ATOM 1666 CB LYS A 107 17.837 13.000 34.592 1.00 61.22 C ATOM 1667 CG LYS A 107 19.056 13.668 35.205 1.00 74.11 C ATOM 1668 CD LYS A 107 19.522 14.849 34.371 1.00 24.41 C ATOM 1669 CE LYS A 107 20.761 14.504 33.558 1.00 32.14 C ATOM 1670 NZ LYS A 107 20.584 14.824 32.115 1.00 14.20 N ATOM 0 H LYS A 107 16.483 11.883 32.508 1.00 61.24 H new ATOM 0 HA LYS A 107 19.248 11.743 33.566 1.00 2.51 H new ATOM 0 HB2 LYS A 107 17.309 13.725 33.973 1.00 61.22 H new ATOM 0 HB3 LYS A 107 17.155 12.705 35.390 1.00 61.22 H new ATOM 0 HG2 LYS A 107 18.819 14.005 36.214 1.00 74.11 H new ATOM 0 HG3 LYS A 107 19.864 12.942 35.293 1.00 74.11 H new ATOM 0 HD2 LYS A 107 18.721 15.161 33.701 1.00 24.41 H new ATOM 0 HD3 LYS A 107 19.738 15.694 35.024 1.00 24.41 H new ATOM 0 HE2 LYS A 107 21.617 15.054 33.950 1.00 32.14 H new ATOM 0 HE3 LYS A 107 20.985 13.443 33.670 1.00 32.14 H new ATOM 0 HZ1 LYS A 107 21.509 15.035 31.690 1.00 14.20 H new ATOM 0 HZ2 LYS A 107 20.158 14.010 31.629 1.00 14.20 H new ATOM 0 HZ3 LYS A 107 19.961 15.651 32.017 1.00 14.20 H new ATOM 1684 N GLU A 108 18.711 9.564 34.594 1.00 23.44 N ATOM 1685 CA GLU A 108 18.456 8.305 35.284 1.00 72.04 C ATOM 1686 C GLU A 108 18.111 8.547 36.751 1.00 43.53 C ATOM 1687 O GLU A 108 18.898 9.128 37.496 1.00 0.15 O ATOM 1688 CB GLU A 108 19.674 7.384 35.180 1.00 75.24 C ATOM 1689 CG GLU A 108 19.416 6.122 34.372 1.00 22.35 C ATOM 1690 CD GLU A 108 20.682 5.333 34.104 1.00 44.01 C ATOM 1691 OE1 GLU A 108 21.774 5.941 34.120 1.00 63.24 O ATOM 1692 OE2 GLU A 108 20.583 4.110 33.877 1.00 63.45 O ATOM 0 H GLU A 108 19.652 9.653 34.211 1.00 23.44 H new ATOM 0 HA GLU A 108 17.604 7.824 34.803 1.00 72.04 H new ATOM 0 HB2 GLU A 108 20.497 7.935 34.725 1.00 75.24 H new ATOM 0 HB3 GLU A 108 19.994 7.104 36.184 1.00 75.24 H new ATOM 0 HG2 GLU A 108 18.706 5.491 34.907 1.00 22.35 H new ATOM 0 HG3 GLU A 108 18.952 6.391 33.423 1.00 22.35 H new ATOM 1699 N GLY A 109 16.928 8.096 37.157 1.00 62.12 N ATOM 1700 CA GLY A 109 16.500 8.273 38.532 1.00 24.24 C ATOM 1701 C GLY A 109 15.105 8.857 38.633 1.00 25.45 C ATOM 1702 O GLY A 109 14.278 8.376 39.409 1.00 74.01 O ATOM 0 H GLY A 109 16.259 7.612 36.559 1.00 62.12 H new ATOM 0 HA2 GLY A 109 16.526 7.311 39.044 1.00 24.24 H new ATOM 0 HA3 GLY A 109 17.203 8.928 39.047 1.00 24.24 H new ATOM 1706 N SER A 110 14.842 9.899 37.852 1.00 41.20 N ATOM 1707 CA SER A 110 13.539 10.553 37.860 1.00 24.30 C ATOM 1708 C SER A 110 12.528 9.761 37.037 1.00 70.32 C ATOM 1709 O SER A 110 12.880 9.134 36.040 1.00 42.42 O ATOM 1710 CB SER A 110 13.655 11.977 37.314 1.00 4.44 C ATOM 1711 OG SER A 110 14.062 11.970 35.956 1.00 65.32 O ATOM 0 H SER A 110 15.515 10.309 37.205 1.00 41.20 H new ATOM 0 HA SER A 110 13.188 10.595 38.891 1.00 24.30 H new ATOM 0 HB2 SER A 110 12.695 12.485 37.407 1.00 4.44 H new ATOM 0 HB3 SER A 110 14.373 12.541 37.909 1.00 4.44 H new ATOM 0 HG SER A 110 14.127 12.892 35.629 1.00 65.32 H new ATOM 1717 N GLN A 111 11.270 9.796 37.465 1.00 35.50 N ATOM 1718 CA GLN A 111 10.206 9.081 36.768 1.00 45.44 C ATOM 1719 C GLN A 111 10.137 9.501 35.304 1.00 52.00 C ATOM 1720 O GLN A 111 9.705 8.731 34.445 1.00 71.42 O ATOM 1721 CB GLN A 111 8.861 9.335 37.449 1.00 44.22 C ATOM 1722 CG GLN A 111 8.504 10.808 37.559 1.00 14.21 C ATOM 1723 CD GLN A 111 7.226 11.155 36.821 1.00 54.30 C ATOM 1724 OE1 GLN A 111 6.161 11.283 37.425 1.00 51.51 O ATOM 1725 NE2 GLN A 111 7.326 11.311 35.506 1.00 54.41 N ATOM 0 H GLN A 111 10.962 10.311 38.290 1.00 35.50 H new ATOM 0 HA GLN A 111 10.430 8.015 36.810 1.00 45.44 H new ATOM 0 HB2 GLN A 111 8.078 8.821 36.892 1.00 44.22 H new ATOM 0 HB3 GLN A 111 8.881 8.899 38.448 1.00 44.22 H new ATOM 0 HG2 GLN A 111 8.396 11.074 38.610 1.00 14.21 H new ATOM 0 HG3 GLN A 111 9.323 11.407 37.161 1.00 14.21 H new ATOM 0 HE21 GLN A 111 8.229 11.196 35.046 1.00 54.41 H new ATOM 0 HE22 GLN A 111 6.500 11.546 34.956 1.00 54.41 H new ATOM 1734 N LEU A 112 10.565 10.727 35.025 1.00 32.12 N ATOM 1735 CA LEU A 112 10.550 11.252 33.663 1.00 32.21 C ATOM 1736 C LEU A 112 11.277 10.310 32.709 1.00 64.34 C ATOM 1737 O LEU A 112 10.958 10.242 31.522 1.00 32.41 O ATOM 1738 CB LEU A 112 11.198 12.637 33.622 1.00 24.52 C ATOM 1739 CG LEU A 112 10.338 13.764 33.048 1.00 62.14 C ATOM 1740 CD1 LEU A 112 11.108 15.075 33.048 1.00 3.14 C ATOM 1741 CD2 LEU A 112 9.874 13.416 31.642 1.00 74.45 C ATOM 0 H LEU A 112 10.927 11.377 35.723 1.00 32.12 H new ATOM 0 HA LEU A 112 9.511 11.334 33.343 1.00 32.21 H new ATOM 0 HB2 LEU A 112 11.489 12.910 34.636 1.00 24.52 H new ATOM 0 HB3 LEU A 112 12.114 12.570 33.034 1.00 24.52 H new ATOM 0 HG LEU A 112 9.458 13.883 33.681 1.00 62.14 H new ATOM 0 HD11 LEU A 112 10.481 15.865 32.636 1.00 3.14 H new ATOM 0 HD12 LEU A 112 11.391 15.331 34.069 1.00 3.14 H new ATOM 0 HD13 LEU A 112 12.006 14.970 32.439 1.00 3.14 H new ATOM 0 HD21 LEU A 112 9.263 14.229 31.249 1.00 74.45 H new ATOM 0 HD22 LEU A 112 10.741 13.270 30.998 1.00 74.45 H new ATOM 0 HD23 LEU A 112 9.284 12.500 31.670 1.00 74.45 H new ATOM 1753 N LYS A 113 12.254 9.580 33.237 1.00 24.00 N ATOM 1754 CA LYS A 113 13.026 8.638 32.435 1.00 73.33 C ATOM 1755 C LYS A 113 12.103 7.690 31.673 1.00 25.33 C ATOM 1756 O LYS A 113 12.437 7.231 30.581 1.00 2.02 O ATOM 1757 CB LYS A 113 13.975 7.835 33.326 1.00 3.52 C ATOM 1758 CG LYS A 113 14.843 6.851 32.560 1.00 13.13 C ATOM 1759 CD LYS A 113 15.307 5.709 33.447 1.00 41.12 C ATOM 1760 CE LYS A 113 15.414 4.407 32.668 1.00 61.03 C ATOM 1761 NZ LYS A 113 16.370 4.518 31.531 1.00 73.32 N ATOM 0 H LYS A 113 12.530 9.623 34.218 1.00 24.00 H new ATOM 0 HA LYS A 113 13.611 9.208 31.713 1.00 73.33 H new ATOM 0 HB2 LYS A 113 14.618 8.525 33.872 1.00 3.52 H new ATOM 0 HB3 LYS A 113 13.390 7.290 34.067 1.00 3.52 H new ATOM 0 HG2 LYS A 113 14.283 6.452 31.715 1.00 13.13 H new ATOM 0 HG3 LYS A 113 15.710 7.371 32.151 1.00 13.13 H new ATOM 0 HD2 LYS A 113 16.276 5.955 33.882 1.00 41.12 H new ATOM 0 HD3 LYS A 113 14.609 5.583 34.275 1.00 41.12 H new ATOM 0 HE2 LYS A 113 15.736 3.609 33.337 1.00 61.03 H new ATOM 0 HE3 LYS A 113 14.431 4.128 32.290 1.00 61.03 H new ATOM 0 HZ1 LYS A 113 16.518 3.579 31.109 1.00 73.32 H new ATOM 0 HZ2 LYS A 113 15.982 5.163 30.813 1.00 73.32 H new ATOM 0 HZ3 LYS A 113 17.278 4.890 31.876 1.00 73.32 H new ATOM 1775 N GLN A 114 10.944 7.404 32.257 1.00 52.12 N ATOM 1776 CA GLN A 114 9.975 6.512 31.631 1.00 24.41 C ATOM 1777 C GLN A 114 9.201 7.232 30.532 1.00 5.02 C ATOM 1778 O GLN A 114 8.988 6.685 29.450 1.00 21.53 O ATOM 1779 CB GLN A 114 9.005 5.964 32.679 1.00 34.44 C ATOM 1780 CG GLN A 114 8.128 4.833 32.165 1.00 64.23 C ATOM 1781 CD GLN A 114 8.878 3.521 32.052 1.00 63.53 C ATOM 1782 OE1 GLN A 114 9.227 3.084 30.955 1.00 25.22 O ATOM 1783 NE2 GLN A 114 9.130 2.882 33.190 1.00 54.42 N ATOM 0 H GLN A 114 10.653 7.776 33.161 1.00 52.12 H new ATOM 0 HA GLN A 114 10.521 5.683 31.181 1.00 24.41 H new ATOM 0 HB2 GLN A 114 9.574 5.609 33.538 1.00 34.44 H new ATOM 0 HB3 GLN A 114 8.368 6.775 33.031 1.00 34.44 H new ATOM 0 HG2 GLN A 114 7.277 4.705 32.834 1.00 64.23 H new ATOM 0 HG3 GLN A 114 7.727 5.104 31.188 1.00 64.23 H new ATOM 0 HE21 GLN A 114 8.823 3.280 34.077 1.00 54.42 H new ATOM 0 HE22 GLN A 114 9.631 1.994 33.176 1.00 54.42 H new ATOM 1792 N GLN A 115 8.786 8.462 30.817 1.00 61.52 N ATOM 1793 CA GLN A 115 8.035 9.257 29.852 1.00 73.52 C ATOM 1794 C GLN A 115 8.789 9.362 28.530 1.00 12.23 C ATOM 1795 O GLN A 115 8.218 9.145 27.461 1.00 4.31 O ATOM 1796 CB GLN A 115 7.765 10.654 30.411 1.00 32.52 C ATOM 1797 CG GLN A 115 6.556 10.718 31.331 1.00 24.11 C ATOM 1798 CD GLN A 115 5.286 10.232 30.662 1.00 15.34 C ATOM 1799 OE1 GLN A 115 5.230 10.092 29.439 1.00 73.44 O ATOM 1800 NE2 GLN A 115 4.257 9.973 31.460 1.00 52.25 N ATOM 0 H GLN A 115 8.957 8.929 31.707 1.00 61.52 H new ATOM 0 HA GLN A 115 7.084 8.757 29.668 1.00 73.52 H new ATOM 0 HB2 GLN A 115 8.645 10.994 30.957 1.00 32.52 H new ATOM 0 HB3 GLN A 115 7.617 11.346 29.582 1.00 32.52 H new ATOM 0 HG2 GLN A 115 6.748 10.115 32.219 1.00 24.11 H new ATOM 0 HG3 GLN A 115 6.414 11.745 31.667 1.00 24.11 H new ATOM 0 HE21 GLN A 115 4.348 10.103 32.468 1.00 52.25 H new ATOM 0 HE22 GLN A 115 3.376 9.644 31.065 1.00 52.25 H new ATOM 1809 N ILE A 116 10.072 9.696 28.612 1.00 74.12 N ATOM 1810 CA ILE A 116 10.903 9.829 27.422 1.00 1.40 C ATOM 1811 C ILE A 116 11.235 8.465 26.828 1.00 43.01 C ATOM 1812 O ILE A 116 11.359 8.320 25.612 1.00 25.10 O ATOM 1813 CB ILE A 116 12.215 10.575 27.731 1.00 73.20 C ATOM 1814 CG1 ILE A 116 11.924 11.860 28.510 1.00 12.21 C ATOM 1815 CG2 ILE A 116 12.963 10.887 26.444 1.00 65.23 C ATOM 1816 CD1 ILE A 116 13.169 12.628 28.895 1.00 62.52 C ATOM 0 H ILE A 116 10.559 9.879 29.489 1.00 74.12 H new ATOM 0 HA ILE A 116 10.328 10.407 26.699 1.00 1.40 H new ATOM 0 HB ILE A 116 12.845 9.933 28.347 1.00 73.20 H new ATOM 0 HG12 ILE A 116 11.282 12.503 27.908 1.00 12.21 H new ATOM 0 HG13 ILE A 116 11.367 11.610 29.413 1.00 12.21 H new ATOM 0 HG21 ILE A 116 13.888 11.414 26.679 1.00 65.23 H new ATOM 0 HG22 ILE A 116 13.197 9.958 25.925 1.00 65.23 H new ATOM 0 HG23 ILE A 116 12.341 11.513 25.804 1.00 65.23 H new ATOM 0 HD11 ILE A 116 12.887 13.526 29.444 1.00 62.52 H new ATOM 0 HD12 ILE A 116 13.803 12.002 29.524 1.00 62.52 H new ATOM 0 HD13 ILE A 116 13.716 12.909 27.995 1.00 62.52 H new ATOM 1828 N GLN A 117 11.377 7.466 27.695 1.00 13.23 N ATOM 1829 CA GLN A 117 11.694 6.113 27.255 1.00 40.41 C ATOM 1830 C GLN A 117 10.564 5.537 26.410 1.00 70.03 C ATOM 1831 O GLN A 117 10.801 4.965 25.345 1.00 33.11 O ATOM 1832 CB GLN A 117 11.956 5.210 28.462 1.00 2.41 C ATOM 1833 CG GLN A 117 13.426 5.101 28.833 1.00 22.14 C ATOM 1834 CD GLN A 117 14.071 3.839 28.296 1.00 2.25 C ATOM 1835 OE1 GLN A 117 13.663 2.728 28.632 1.00 63.32 O ATOM 1836 NE2 GLN A 117 15.087 4.005 27.456 1.00 75.13 N ATOM 0 H GLN A 117 11.277 7.569 28.705 1.00 13.23 H new ATOM 0 HA GLN A 117 12.594 6.159 26.642 1.00 40.41 H new ATOM 0 HB2 GLN A 117 11.401 5.593 29.319 1.00 2.41 H new ATOM 0 HB3 GLN A 117 11.568 4.213 28.251 1.00 2.41 H new ATOM 0 HG2 GLN A 117 13.960 5.970 28.447 1.00 22.14 H new ATOM 0 HG3 GLN A 117 13.525 5.122 29.918 1.00 22.14 H new ATOM 0 HE21 GLN A 117 15.392 4.945 27.205 1.00 75.13 H new ATOM 0 HE22 GLN A 117 15.561 3.192 27.063 1.00 75.13 H new ATOM 1845 N SER A 118 9.334 5.689 26.891 1.00 33.23 N ATOM 1846 CA SER A 118 8.167 5.180 26.181 1.00 71.55 C ATOM 1847 C SER A 118 8.158 5.661 24.733 1.00 60.30 C ATOM 1848 O SER A 118 7.844 4.901 23.817 1.00 74.30 O ATOM 1849 CB SER A 118 6.882 5.622 26.885 1.00 62.32 C ATOM 1850 OG SER A 118 6.588 4.779 27.986 1.00 51.21 O ATOM 0 H SER A 118 9.120 6.161 27.770 1.00 33.23 H new ATOM 0 HA SER A 118 8.218 4.091 26.183 1.00 71.55 H new ATOM 0 HB2 SER A 118 6.987 6.651 27.229 1.00 62.32 H new ATOM 0 HB3 SER A 118 6.052 5.605 26.178 1.00 62.32 H new ATOM 0 HG SER A 118 5.764 5.083 28.420 1.00 51.21 H new ATOM 1856 N ILE A 119 8.505 6.928 24.536 1.00 21.12 N ATOM 1857 CA ILE A 119 8.538 7.511 23.201 1.00 40.51 C ATOM 1858 C ILE A 119 9.760 7.034 22.423 1.00 21.01 C ATOM 1859 O ILE A 119 9.669 6.716 21.238 1.00 35.52 O ATOM 1860 CB ILE A 119 8.549 9.051 23.259 1.00 52.44 C ATOM 1861 CG1 ILE A 119 7.337 9.562 24.039 1.00 62.43 C ATOM 1862 CG2 ILE A 119 8.566 9.633 21.853 1.00 21.54 C ATOM 1863 CD1 ILE A 119 7.374 11.050 24.306 1.00 54.54 C ATOM 0 H ILE A 119 8.767 7.570 25.284 1.00 21.12 H new ATOM 0 HA ILE A 119 7.633 7.181 22.690 1.00 40.51 H new ATOM 0 HB ILE A 119 9.452 9.375 23.776 1.00 52.44 H new ATOM 0 HG12 ILE A 119 6.430 9.323 23.483 1.00 62.43 H new ATOM 0 HG13 ILE A 119 7.277 9.032 24.990 1.00 62.43 H new ATOM 0 HG21 ILE A 119 8.574 10.721 21.910 1.00 21.54 H new ATOM 0 HG22 ILE A 119 9.458 9.291 21.328 1.00 21.54 H new ATOM 0 HG23 ILE A 119 7.679 9.304 21.312 1.00 21.54 H new ATOM 0 HD11 ILE A 119 6.484 11.342 24.863 1.00 54.54 H new ATOM 0 HD12 ILE A 119 8.262 11.293 24.889 1.00 54.54 H new ATOM 0 HD13 ILE A 119 7.403 11.589 23.359 1.00 54.54 H new ATOM 1875 N GLN A 120 10.903 6.985 23.100 1.00 12.12 N ATOM 1876 CA GLN A 120 12.144 6.546 22.472 1.00 54.31 C ATOM 1877 C GLN A 120 11.980 5.160 21.855 1.00 23.24 C ATOM 1878 O GLN A 120 12.448 4.906 20.746 1.00 65.41 O ATOM 1879 CB GLN A 120 13.281 6.531 23.495 1.00 54.22 C ATOM 1880 CG GLN A 120 13.955 7.882 23.674 1.00 62.34 C ATOM 1881 CD GLN A 120 15.150 7.818 24.606 1.00 52.32 C ATOM 1882 OE1 GLN A 120 15.000 7.830 25.827 1.00 23.31 O ATOM 1883 NE2 GLN A 120 16.345 7.751 24.031 1.00 63.40 N ATOM 0 H GLN A 120 10.995 7.244 24.082 1.00 12.12 H new ATOM 0 HA GLN A 120 12.390 7.251 21.678 1.00 54.31 H new ATOM 0 HB2 GLN A 120 12.889 6.199 24.457 1.00 54.22 H new ATOM 0 HB3 GLN A 120 14.028 5.800 23.186 1.00 54.22 H new ATOM 0 HG2 GLN A 120 14.277 8.255 22.702 1.00 62.34 H new ATOM 0 HG3 GLN A 120 13.231 8.596 24.066 1.00 62.34 H new ATOM 0 HE21 GLN A 120 16.422 7.744 23.014 1.00 63.40 H new ATOM 0 HE22 GLN A 120 17.186 7.707 24.606 1.00 63.40 H new ATOM 1892 N GLN A 121 11.314 4.269 22.583 1.00 11.14 N ATOM 1893 CA GLN A 121 11.090 2.910 22.107 1.00 62.14 C ATOM 1894 C GLN A 121 10.460 2.915 20.719 1.00 51.45 C ATOM 1895 O GLN A 121 10.802 2.094 19.867 1.00 44.41 O ATOM 1896 CB GLN A 121 10.195 2.146 23.084 1.00 54.51 C ATOM 1897 CG GLN A 121 10.639 0.711 23.323 1.00 5.33 C ATOM 1898 CD GLN A 121 9.538 -0.294 23.052 1.00 3.03 C ATOM 1899 OE1 GLN A 121 9.273 -0.646 21.902 1.00 34.53 O ATOM 1900 NE2 GLN A 121 8.890 -0.764 24.111 1.00 22.14 N ATOM 0 H GLN A 121 10.921 4.464 23.504 1.00 11.14 H new ATOM 0 HA GLN A 121 12.057 2.411 22.044 1.00 62.14 H new ATOM 0 HB2 GLN A 121 10.177 2.675 24.037 1.00 54.51 H new ATOM 0 HB3 GLN A 121 9.174 2.143 22.702 1.00 54.51 H new ATOM 0 HG2 GLN A 121 11.494 0.488 22.685 1.00 5.33 H new ATOM 0 HG3 GLN A 121 10.976 0.606 24.354 1.00 5.33 H new ATOM 0 HE21 GLN A 121 9.142 -0.445 25.046 1.00 22.14 H new ATOM 0 HE22 GLN A 121 8.140 -1.444 23.989 1.00 22.14 H new ATOM 1909 N SER A 122 9.538 3.846 20.496 1.00 50.33 N ATOM 1910 CA SER A 122 8.858 3.956 19.211 1.00 13.13 C ATOM 1911 C SER A 122 9.838 4.343 18.108 1.00 32.34 C ATOM 1912 O SER A 122 9.649 3.991 16.943 1.00 24.31 O ATOM 1913 CB SER A 122 7.731 4.989 19.294 1.00 41.14 C ATOM 1914 OG SER A 122 8.119 6.215 18.701 1.00 21.12 O ATOM 0 H SER A 122 9.245 4.535 21.189 1.00 50.33 H new ATOM 0 HA SER A 122 8.432 2.982 18.968 1.00 13.13 H new ATOM 0 HB2 SER A 122 6.843 4.604 18.793 1.00 41.14 H new ATOM 0 HB3 SER A 122 7.462 5.155 20.337 1.00 41.14 H new ATOM 0 HG SER A 122 8.713 6.700 19.311 1.00 21.12 H new ATOM 1920 N ILE A 123 10.884 5.071 18.484 1.00 34.32 N ATOM 1921 CA ILE A 123 11.895 5.506 17.528 1.00 33.21 C ATOM 1922 C ILE A 123 12.659 4.316 16.956 1.00 34.43 C ATOM 1923 O ILE A 123 13.005 4.299 15.776 1.00 14.12 O ATOM 1924 CB ILE A 123 12.895 6.483 18.172 1.00 3.22 C ATOM 1925 CG1 ILE A 123 12.151 7.623 18.871 1.00 50.32 C ATOM 1926 CG2 ILE A 123 13.850 7.032 17.122 1.00 42.12 C ATOM 1927 CD1 ILE A 123 13.068 8.609 19.561 1.00 13.30 C ATOM 0 H ILE A 123 11.054 5.372 19.444 1.00 34.32 H new ATOM 0 HA ILE A 123 11.368 6.017 16.722 1.00 33.21 H new ATOM 0 HB ILE A 123 13.477 5.943 18.919 1.00 3.22 H new ATOM 0 HG12 ILE A 123 11.545 8.155 18.137 1.00 50.32 H new ATOM 0 HG13 ILE A 123 11.465 7.202 19.606 1.00 50.32 H new ATOM 0 HG21 ILE A 123 14.551 7.721 17.593 1.00 42.12 H new ATOM 0 HG22 ILE A 123 14.401 6.210 16.666 1.00 42.12 H new ATOM 0 HG23 ILE A 123 13.283 7.559 16.355 1.00 42.12 H new ATOM 0 HD11 ILE A 123 12.473 9.389 20.035 1.00 13.30 H new ATOM 0 HD12 ILE A 123 13.656 8.091 20.319 1.00 13.30 H new ATOM 0 HD13 ILE A 123 13.737 9.058 18.827 1.00 13.30 H new ATOM 1939 N GLU A 124 12.915 3.324 17.801 1.00 44.13 N ATOM 1940 CA GLU A 124 13.638 2.129 17.379 1.00 23.33 C ATOM 1941 C GLU A 124 12.869 1.386 16.291 1.00 43.21 C ATOM 1942 O GLU A 124 13.459 0.871 15.340 1.00 4.14 O ATOM 1943 CB GLU A 124 13.878 1.203 18.573 1.00 54.23 C ATOM 1944 CG GLU A 124 15.206 0.467 18.514 1.00 22.41 C ATOM 1945 CD GLU A 124 15.706 0.056 19.887 1.00 54.04 C ATOM 1946 OE1 GLU A 124 16.141 0.943 20.649 1.00 63.32 O ATOM 1947 OE2 GLU A 124 15.661 -1.154 20.196 1.00 13.41 O ATOM 0 H GLU A 124 12.633 3.323 18.781 1.00 44.13 H new ATOM 0 HA GLU A 124 14.600 2.441 16.972 1.00 23.33 H new ATOM 0 HB2 GLU A 124 13.837 1.789 19.491 1.00 54.23 H new ATOM 0 HB3 GLU A 124 13.070 0.474 18.625 1.00 54.23 H new ATOM 0 HG2 GLU A 124 15.098 -0.420 17.890 1.00 22.41 H new ATOM 0 HG3 GLU A 124 15.950 1.105 18.036 1.00 22.41 H new ATOM 1954 N ARG A 125 11.549 1.332 16.437 1.00 4.12 N ATOM 1955 CA ARG A 125 10.701 0.650 15.468 1.00 33.44 C ATOM 1956 C ARG A 125 10.581 1.463 14.183 1.00 43.11 C ATOM 1957 O ARG A 125 10.761 0.936 13.084 1.00 11.24 O ATOM 1958 CB ARG A 125 9.311 0.405 16.060 1.00 71.12 C ATOM 1959 CG ARG A 125 9.336 -0.337 17.386 1.00 42.21 C ATOM 1960 CD ARG A 125 8.455 -1.576 17.348 1.00 21.21 C ATOM 1961 NE ARG A 125 8.855 -2.500 16.292 1.00 50.44 N ATOM 1962 CZ ARG A 125 8.464 -3.770 16.238 1.00 1.12 C ATOM 1963 NH1 ARG A 125 7.668 -4.261 17.177 1.00 54.11 N ATOM 1964 NH2 ARG A 125 8.871 -4.549 15.244 1.00 33.10 N ATOM 0 H ARG A 125 11.044 1.753 17.217 1.00 4.12 H new ATOM 0 HA ARG A 125 11.162 -0.308 15.229 1.00 33.44 H new ATOM 0 HB2 ARG A 125 8.811 1.363 16.199 1.00 71.12 H new ATOM 0 HB3 ARG A 125 8.716 -0.165 15.346 1.00 71.12 H new ATOM 0 HG2 ARG A 125 10.360 -0.625 17.624 1.00 42.21 H new ATOM 0 HG3 ARG A 125 8.998 0.327 18.182 1.00 42.21 H new ATOM 0 HD2 ARG A 125 8.502 -2.084 18.311 1.00 21.21 H new ATOM 0 HD3 ARG A 125 7.418 -1.278 17.195 1.00 21.21 H new ATOM 0 HE ARG A 125 9.468 -2.153 15.555 1.00 50.44 H new ATOM 0 HH11 ARG A 125 7.354 -3.665 17.943 1.00 54.11 H new ATOM 0 HH12 ARG A 125 7.369 -5.235 17.134 1.00 54.11 H new ATOM 0 HH21 ARG A 125 9.484 -4.174 14.520 1.00 33.10 H new ATOM 0 HH22 ARG A 125 8.571 -5.523 15.203 1.00 33.10 H new ATOM 1978 N LEU A 126 10.277 2.748 14.327 1.00 35.52 N ATOM 1979 CA LEU A 126 10.133 3.634 13.178 1.00 13.44 C ATOM 1980 C LEU A 126 11.436 3.722 12.392 1.00 52.44 C ATOM 1981 O LEU A 126 11.430 3.747 11.160 1.00 3.42 O ATOM 1982 CB LEU A 126 9.705 5.030 13.636 1.00 12.40 C ATOM 1983 CG LEU A 126 8.213 5.217 13.913 1.00 14.02 C ATOM 1984 CD1 LEU A 126 7.973 6.498 14.698 1.00 71.34 C ATOM 1985 CD2 LEU A 126 7.427 5.233 12.611 1.00 55.02 C ATOM 0 H LEU A 126 10.125 3.200 15.229 1.00 35.52 H new ATOM 0 HA LEU A 126 9.364 3.221 12.526 1.00 13.44 H new ATOM 0 HB2 LEU A 126 10.256 5.278 14.543 1.00 12.40 H new ATOM 0 HB3 LEU A 126 10.006 5.749 12.874 1.00 12.40 H new ATOM 0 HG LEU A 126 7.866 4.376 14.513 1.00 14.02 H new ATOM 0 HD11 LEU A 126 6.906 6.615 14.886 1.00 71.34 H new ATOM 0 HD12 LEU A 126 8.506 6.448 15.648 1.00 71.34 H new ATOM 0 HD13 LEU A 126 8.336 7.350 14.123 1.00 71.34 H new ATOM 0 HD21 LEU A 126 6.367 5.367 12.827 1.00 55.02 H new ATOM 0 HD22 LEU A 126 7.776 6.054 11.985 1.00 55.02 H new ATOM 0 HD23 LEU A 126 7.574 4.289 12.086 1.00 55.02 H new ATOM 1997 N LEU A 127 12.552 3.766 13.109 1.00 44.24 N ATOM 1998 CA LEU A 127 13.866 3.847 12.478 1.00 33.52 C ATOM 1999 C LEU A 127 14.075 2.693 11.504 1.00 15.04 C ATOM 2000 O LEU A 127 14.486 2.898 10.362 1.00 40.24 O ATOM 2001 CB LEU A 127 14.965 3.838 13.541 1.00 22.04 C ATOM 2002 CG LEU A 127 15.443 5.207 14.026 1.00 20.13 C ATOM 2003 CD1 LEU A 127 16.351 5.059 15.237 1.00 75.33 C ATOM 2004 CD2 LEU A 127 16.160 5.948 12.907 1.00 2.42 C ATOM 0 H LEU A 127 12.575 3.747 14.129 1.00 44.24 H new ATOM 0 HA LEU A 127 13.916 4.782 11.920 1.00 33.52 H new ATOM 0 HB2 LEU A 127 14.605 3.276 14.402 1.00 22.04 H new ATOM 0 HB3 LEU A 127 15.823 3.296 13.143 1.00 22.04 H new ATOM 0 HG LEU A 127 14.571 5.790 14.322 1.00 20.13 H new ATOM 0 HD11 LEU A 127 16.681 6.044 15.567 1.00 75.33 H new ATOM 0 HD12 LEU A 127 15.805 4.570 16.044 1.00 75.33 H new ATOM 0 HD13 LEU A 127 17.219 4.457 14.969 1.00 75.33 H new ATOM 0 HD21 LEU A 127 16.493 6.920 13.270 1.00 2.42 H new ATOM 0 HD22 LEU A 127 17.023 5.367 12.580 1.00 2.42 H new ATOM 0 HD23 LEU A 127 15.478 6.088 12.068 1.00 2.42 H new