USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=20 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 45 THR OG1 : rot -74:sc= 1.1 USER MOD Set 1.2: A 103 SER OG : rot 140:sc= 0 USER MOD Set 2.1: A 34 GLN : amide:sc= -0.377 K(o=-0.025,f=-3.6) USER MOD Set 2.2: A 105 THR OG1 : rot 119:sc= 0.352 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=-0.0049) USER MOD Single : A 19 THR OG1 : rot 17:sc= 0.516 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ -124:sc= -0.128 (180deg=-1.39!) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 SER OG : rot 81:sc= 0.139 USER MOD Single : A 30 CYS SG : rot 180:sc= -1.15 USER MOD Single : A 31 ASN : amide:sc= -0.978 K(o=-0.98,f=-2.1) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.551 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0.0098) USER MOD Single : A 43 THR OG1 : rot -74:sc= 1.26 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 1.16 K(o=1.2,f=-0.025) USER MOD Single : A 51 SER OG : rot -147:sc= -1.9! USER MOD Single : A 56 MET CE :methyl -168:sc= -0.21 (180deg=-0.507) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 CYS SG : rot -27:sc= 0.357 USER MOD Single : A 96 SER OG : rot -60:sc= 0.618 USER MOD Single : A 102 CYS SG : rot -1:sc= -0.126 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -75:sc= 0.828 USER MOD Single : A 111 GLN : amide:sc= -0.0327 K(o=-0.033,f=-1.5) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.455 K(o=-0.45,f=-2) USER MOD Single : A 121 GLN : amide:sc= -0.115 K(o=-0.12,f=-2!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 9.869 13.352 4.205 1.00 64.55 N ATOM 136 CA ALA A 10 10.277 13.591 5.584 1.00 4.12 C ATOM 137 C ALA A 10 9.839 12.445 6.491 1.00 42.23 C ATOM 138 O ALA A 10 8.951 12.607 7.327 1.00 72.35 O ATOM 139 CB ALA A 10 9.706 14.909 6.083 1.00 42.11 C ATOM 0 HA ALA A 10 11.365 13.647 5.611 1.00 4.12 H new ATOM 0 HB1 ALA A 10 10.019 15.074 7.114 1.00 42.11 H new ATOM 0 HB2 ALA A 10 10.072 15.724 5.458 1.00 42.11 H new ATOM 0 HB3 ALA A 10 8.618 14.875 6.035 1.00 42.11 H new ATOM 145 N TYR A 11 10.468 11.288 6.319 1.00 54.44 N ATOM 146 CA TYR A 11 10.142 10.115 7.120 1.00 12.15 C ATOM 147 C TYR A 11 11.300 9.744 8.041 1.00 15.34 C ATOM 148 O TYR A 11 12.448 10.131 7.824 1.00 14.23 O ATOM 149 CB TYR A 11 9.797 8.931 6.214 1.00 51.24 C ATOM 150 CG TYR A 11 8.319 8.626 6.153 1.00 32.34 C ATOM 151 CD1 TYR A 11 7.401 9.604 5.790 1.00 41.04 C ATOM 152 CD2 TYR A 11 7.837 7.359 6.460 1.00 12.00 C ATOM 153 CE1 TYR A 11 6.048 9.330 5.734 1.00 12.53 C ATOM 154 CE2 TYR A 11 6.487 7.075 6.404 1.00 32.34 C ATOM 155 CZ TYR A 11 5.597 8.064 6.042 1.00 23.45 C ATOM 156 OH TYR A 11 4.249 7.784 5.987 1.00 44.13 O ATOM 0 H TYR A 11 11.207 11.138 5.632 1.00 54.44 H new ATOM 0 HA TYR A 11 9.276 10.358 7.735 1.00 12.15 H new ATOM 0 HB2 TYR A 11 10.159 9.138 5.207 1.00 51.24 H new ATOM 0 HB3 TYR A 11 10.327 8.047 6.568 1.00 51.24 H new ATOM 0 HD1 TYR A 11 7.752 10.596 5.547 1.00 41.04 H new ATOM 0 HD2 TYR A 11 8.531 6.583 6.747 1.00 12.00 H new ATOM 0 HE1 TYR A 11 5.348 10.102 5.451 1.00 12.53 H new ATOM 0 HE2 TYR A 11 6.130 6.084 6.642 1.00 32.34 H new ATOM 0 HH TYR A 11 4.099 6.847 6.232 1.00 44.13 H new ATOM 166 N PRO A 12 10.993 8.975 9.097 1.00 10.15 N ATOM 167 CA PRO A 12 9.630 8.509 9.366 1.00 74.11 C ATOM 168 C PRO A 12 8.705 9.641 9.800 1.00 64.42 C ATOM 169 O PRO A 12 9.160 10.741 10.118 1.00 21.32 O ATOM 170 CB PRO A 12 9.816 7.506 10.508 1.00 43.32 C ATOM 171 CG PRO A 12 11.072 7.934 11.186 1.00 33.40 C ATOM 172 CD PRO A 12 11.953 8.501 10.108 1.00 43.24 C ATOM 0 HA PRO A 12 9.163 8.084 8.478 1.00 74.11 H new ATOM 0 HB2 PRO A 12 8.969 7.525 11.194 1.00 43.32 H new ATOM 0 HB3 PRO A 12 9.897 6.487 10.131 1.00 43.32 H new ATOM 0 HG2 PRO A 12 10.866 8.680 11.954 1.00 33.40 H new ATOM 0 HG3 PRO A 12 11.555 7.091 11.681 1.00 33.40 H new ATOM 0 HD2 PRO A 12 12.575 9.313 10.483 1.00 43.24 H new ATOM 0 HD3 PRO A 12 12.626 7.746 9.701 1.00 43.24 H new ATOM 180 N LEU A 13 7.405 9.367 9.809 1.00 30.22 N ATOM 181 CA LEU A 13 6.415 10.363 10.203 1.00 50.31 C ATOM 182 C LEU A 13 5.418 9.776 11.197 1.00 62.50 C ATOM 183 O LEU A 13 4.983 8.634 11.054 1.00 11.10 O ATOM 184 CB LEU A 13 5.676 10.892 8.973 1.00 21.11 C ATOM 185 CG LEU A 13 4.702 12.045 9.219 1.00 3.42 C ATOM 186 CD1 LEU A 13 5.459 13.320 9.555 1.00 71.30 C ATOM 187 CD2 LEU A 13 3.809 12.257 8.005 1.00 3.53 C ATOM 0 H LEU A 13 7.012 8.463 9.548 1.00 30.22 H new ATOM 0 HA LEU A 13 6.939 11.188 10.686 1.00 50.31 H new ATOM 0 HB2 LEU A 13 6.416 11.218 8.242 1.00 21.11 H new ATOM 0 HB3 LEU A 13 5.124 10.067 8.523 1.00 21.11 H new ATOM 0 HG LEU A 13 4.070 11.787 10.069 1.00 3.42 H new ATOM 0 HD11 LEU A 13 4.750 14.130 9.727 1.00 71.30 H new ATOM 0 HD12 LEU A 13 6.055 13.163 10.454 1.00 71.30 H new ATOM 0 HD13 LEU A 13 6.115 13.583 8.725 1.00 71.30 H new ATOM 0 HD21 LEU A 13 3.122 13.081 8.198 1.00 3.53 H new ATOM 0 HD22 LEU A 13 4.425 12.493 7.137 1.00 3.53 H new ATOM 0 HD23 LEU A 13 3.239 11.349 7.809 1.00 3.53 H new ATOM 199 N ALA A 14 5.057 10.566 12.202 1.00 55.34 N ATOM 200 CA ALA A 14 4.107 10.127 13.217 1.00 5.10 C ATOM 201 C ALA A 14 2.751 10.798 13.026 1.00 11.24 C ATOM 202 O ALA A 14 2.672 12.000 12.775 1.00 22.54 O ATOM 203 CB ALA A 14 4.650 10.417 14.608 1.00 31.33 C ATOM 0 H ALA A 14 5.408 11.514 12.336 1.00 55.34 H new ATOM 0 HA ALA A 14 3.969 9.051 13.110 1.00 5.10 H new ATOM 0 HB1 ALA A 14 3.931 10.084 15.356 1.00 31.33 H new ATOM 0 HB2 ALA A 14 5.592 9.886 14.749 1.00 31.33 H new ATOM 0 HB3 ALA A 14 4.817 11.489 14.717 1.00 31.33 H new ATOM 209 N ASP A 15 1.686 10.012 13.147 1.00 72.25 N ATOM 210 CA ASP A 15 0.332 10.530 12.988 1.00 40.21 C ATOM 211 C ASP A 15 0.073 11.680 13.955 1.00 13.31 C ATOM 212 O ASP A 15 0.921 12.009 14.785 1.00 74.02 O ATOM 213 CB ASP A 15 -0.692 9.417 13.213 1.00 1.11 C ATOM 214 CG ASP A 15 -0.355 8.555 14.414 1.00 22.12 C ATOM 215 OD1 ASP A 15 0.532 7.684 14.289 1.00 61.52 O ATOM 216 OD2 ASP A 15 -0.978 8.751 15.478 1.00 3.15 O ATOM 0 H ASP A 15 1.734 9.015 13.355 1.00 72.25 H new ATOM 0 HA ASP A 15 0.230 10.906 11.970 1.00 40.21 H new ATOM 0 HB2 ASP A 15 -1.679 9.858 13.351 1.00 1.11 H new ATOM 0 HB3 ASP A 15 -0.745 8.790 12.323 1.00 1.11 H new ATOM 221 N ALA A 16 -1.104 12.288 13.843 1.00 43.53 N ATOM 222 CA ALA A 16 -1.474 13.401 14.708 1.00 14.21 C ATOM 223 C ALA A 16 -1.579 12.954 16.162 1.00 71.10 C ATOM 224 O ALA A 16 -1.310 13.728 17.082 1.00 32.00 O ATOM 225 CB ALA A 16 -2.788 14.014 14.246 1.00 42.32 C ATOM 0 H ALA A 16 -1.817 12.028 13.162 1.00 43.53 H new ATOM 0 HA ALA A 16 -0.691 14.156 14.643 1.00 14.21 H new ATOM 0 HB1 ALA A 16 -3.052 14.844 14.901 1.00 42.32 H new ATOM 0 HB2 ALA A 16 -2.680 14.378 13.224 1.00 42.32 H new ATOM 0 HB3 ALA A 16 -3.574 13.259 14.281 1.00 42.32 H new ATOM 231 N HIS A 17 -1.974 11.701 16.365 1.00 24.35 N ATOM 232 CA HIS A 17 -2.115 11.150 17.707 1.00 35.10 C ATOM 233 C HIS A 17 -0.750 10.936 18.354 1.00 62.13 C ATOM 234 O HIS A 17 -0.484 11.436 19.448 1.00 13.04 O ATOM 235 CB HIS A 17 -2.884 9.829 17.663 1.00 73.03 C ATOM 236 CG HIS A 17 -4.303 9.946 18.127 1.00 2.14 C ATOM 237 ND1 HIS A 17 -5.385 9.764 17.292 1.00 45.12 N ATOM 238 CD2 HIS A 17 -4.815 10.226 19.348 1.00 61.44 C ATOM 239 CE1 HIS A 17 -6.501 9.929 17.978 1.00 63.40 C ATOM 240 NE2 HIS A 17 -6.184 10.210 19.229 1.00 41.15 N ATOM 0 H HIS A 17 -2.202 11.048 15.616 1.00 24.35 H new ATOM 0 HA HIS A 17 -2.674 11.867 18.308 1.00 35.10 H new ATOM 0 HB2 HIS A 17 -2.875 9.447 16.642 1.00 73.03 H new ATOM 0 HB3 HIS A 17 -2.367 9.096 18.283 1.00 73.03 H new ATOM 0 HD2 HIS A 17 -4.253 10.425 20.248 1.00 61.44 H new ATOM 0 HE1 HIS A 17 -7.503 9.848 17.583 1.00 63.40 H new ATOM 0 HE2 HIS A 17 -6.847 10.386 19.984 1.00 41.15 H new ATOM 248 N LEU A 18 0.112 10.192 17.670 1.00 0.43 N ATOM 249 CA LEU A 18 1.451 9.910 18.178 1.00 65.54 C ATOM 250 C LEU A 18 2.184 11.203 18.524 1.00 30.35 C ATOM 251 O LEU A 18 2.908 11.271 19.518 1.00 63.01 O ATOM 252 CB LEU A 18 2.252 9.116 17.145 1.00 53.31 C ATOM 253 CG LEU A 18 2.774 7.754 17.604 1.00 3.20 C ATOM 254 CD1 LEU A 18 3.793 7.921 18.720 1.00 54.23 C ATOM 255 CD2 LEU A 18 1.624 6.868 18.058 1.00 3.44 C ATOM 0 H LEU A 18 -0.092 9.773 16.763 1.00 0.43 H new ATOM 0 HA LEU A 18 1.352 9.316 19.086 1.00 65.54 H new ATOM 0 HB2 LEU A 18 1.625 8.965 16.266 1.00 53.31 H new ATOM 0 HB3 LEU A 18 3.102 9.721 16.830 1.00 53.31 H new ATOM 0 HG LEU A 18 3.267 7.272 16.760 1.00 3.20 H new ATOM 0 HD11 LEU A 18 4.153 6.941 19.034 1.00 54.23 H new ATOM 0 HD12 LEU A 18 4.631 8.518 18.361 1.00 54.23 H new ATOM 0 HD13 LEU A 18 3.326 8.424 19.567 1.00 54.23 H new ATOM 0 HD21 LEU A 18 2.014 5.903 18.381 1.00 3.44 H new ATOM 0 HD22 LEU A 18 1.103 7.345 18.888 1.00 3.44 H new ATOM 0 HD23 LEU A 18 0.930 6.720 17.231 1.00 3.44 H new ATOM 267 N THR A 19 1.990 12.226 17.699 1.00 60.05 N ATOM 268 CA THR A 19 2.632 13.516 17.917 1.00 31.21 C ATOM 269 C THR A 19 2.051 14.220 19.139 1.00 2.21 C ATOM 270 O THR A 19 2.755 14.936 19.850 1.00 53.34 O ATOM 271 CB THR A 19 2.481 14.435 16.690 1.00 12.32 C ATOM 272 OG1 THR A 19 1.122 14.431 16.240 1.00 12.04 O ATOM 273 CG2 THR A 19 3.395 13.984 15.562 1.00 45.33 C ATOM 0 H THR A 19 1.393 12.186 16.873 1.00 60.05 H new ATOM 0 HA THR A 19 3.691 13.317 18.084 1.00 31.21 H new ATOM 0 HB THR A 19 2.763 15.446 16.983 1.00 12.32 H new ATOM 0 HG1 THR A 19 0.543 14.082 16.950 1.00 12.04 H new ATOM 0 HG21 THR A 19 3.271 14.648 14.706 1.00 45.33 H new ATOM 0 HG22 THR A 19 4.431 14.015 15.899 1.00 45.33 H new ATOM 0 HG23 THR A 19 3.139 12.965 15.271 1.00 45.33 H new ATOM 281 N LYS A 20 0.761 14.010 19.377 1.00 12.10 N ATOM 282 CA LYS A 20 0.084 14.622 20.515 1.00 25.31 C ATOM 283 C LYS A 20 0.678 14.132 21.830 1.00 34.31 C ATOM 284 O LYS A 20 1.069 14.929 22.683 1.00 74.33 O ATOM 285 CB LYS A 20 -1.414 14.310 20.471 1.00 72.13 C ATOM 286 CG LYS A 20 -2.263 15.466 19.971 1.00 3.21 C ATOM 287 CD LYS A 20 -3.728 15.078 19.868 1.00 73.23 C ATOM 288 CE LYS A 20 -4.431 15.196 21.213 1.00 62.33 C ATOM 289 NZ LYS A 20 -5.476 14.150 21.385 1.00 24.20 N ATOM 0 H LYS A 20 0.163 13.421 18.797 1.00 12.10 H new ATOM 0 HA LYS A 20 0.226 15.701 20.453 1.00 25.31 H new ATOM 0 HB2 LYS A 20 -1.578 13.446 19.828 1.00 72.13 H new ATOM 0 HB3 LYS A 20 -1.748 14.031 21.470 1.00 72.13 H new ATOM 0 HG2 LYS A 20 -2.157 16.315 20.646 1.00 3.21 H new ATOM 0 HG3 LYS A 20 -1.902 15.788 18.995 1.00 3.21 H new ATOM 0 HD2 LYS A 20 -4.225 15.718 19.139 1.00 73.23 H new ATOM 0 HD3 LYS A 20 -3.810 14.055 19.502 1.00 73.23 H new ATOM 0 HE2 LYS A 20 -3.698 15.112 22.015 1.00 62.33 H new ATOM 0 HE3 LYS A 20 -4.887 16.182 21.300 1.00 62.33 H new ATOM 0 HZ1 LYS A 20 -5.932 14.264 22.313 1.00 24.20 H new ATOM 0 HZ2 LYS A 20 -6.190 14.246 20.635 1.00 24.20 H new ATOM 0 HZ3 LYS A 20 -5.038 13.209 21.328 1.00 24.20 H new ATOM 303 N LYS A 21 0.745 12.814 21.990 1.00 23.11 N ATOM 304 CA LYS A 21 1.294 12.216 23.201 1.00 1.01 C ATOM 305 C LYS A 21 2.784 12.518 23.329 1.00 32.42 C ATOM 306 O LYS A 21 3.283 12.775 24.425 1.00 0.23 O ATOM 307 CB LYS A 21 1.069 10.702 23.194 1.00 33.23 C ATOM 308 CG LYS A 21 1.627 10.009 21.963 1.00 62.43 C ATOM 309 CD LYS A 21 1.378 8.511 22.005 1.00 55.41 C ATOM 310 CE LYS A 21 -0.053 8.172 21.619 1.00 45.42 C ATOM 311 NZ LYS A 21 -0.951 8.119 22.805 1.00 54.43 N ATOM 0 H LYS A 21 0.425 12.139 21.295 1.00 23.11 H new ATOM 0 HA LYS A 21 0.778 12.650 24.057 1.00 1.01 H new ATOM 0 HB2 LYS A 21 1.529 10.271 24.083 1.00 33.23 H new ATOM 0 HB3 LYS A 21 -0.000 10.502 23.260 1.00 33.23 H new ATOM 0 HG2 LYS A 21 1.168 10.430 21.068 1.00 62.43 H new ATOM 0 HG3 LYS A 21 2.698 10.199 21.892 1.00 62.43 H new ATOM 0 HD2 LYS A 21 2.068 8.008 21.327 1.00 55.41 H new ATOM 0 HD3 LYS A 21 1.584 8.135 23.007 1.00 55.41 H new ATOM 0 HE2 LYS A 21 -0.425 8.916 20.915 1.00 45.42 H new ATOM 0 HE3 LYS A 21 -0.072 7.211 21.106 1.00 45.42 H new ATOM 0 HZ1 LYS A 21 -1.420 7.192 22.844 1.00 54.43 H new ATOM 0 HZ2 LYS A 21 -0.392 8.261 23.670 1.00 54.43 H new ATOM 0 HZ3 LYS A 21 -1.669 8.867 22.730 1.00 54.43 H new ATOM 325 N LEU A 22 3.488 12.488 22.203 1.00 13.41 N ATOM 326 CA LEU A 22 4.921 12.760 22.189 1.00 35.25 C ATOM 327 C LEU A 22 5.203 14.211 22.565 1.00 24.11 C ATOM 328 O LEU A 22 6.162 14.504 23.280 1.00 15.13 O ATOM 329 CB LEU A 22 5.505 12.456 20.809 1.00 23.11 C ATOM 330 CG LEU A 22 7.023 12.583 20.678 1.00 70.13 C ATOM 331 CD1 LEU A 22 7.689 11.226 20.847 1.00 70.25 C ATOM 332 CD2 LEU A 22 7.394 13.198 19.337 1.00 52.14 C ATOM 0 H LEU A 22 3.090 12.278 21.288 1.00 13.41 H new ATOM 0 HA LEU A 22 5.396 12.114 22.927 1.00 35.25 H new ATOM 0 HB2 LEU A 22 5.221 11.441 20.532 1.00 23.11 H new ATOM 0 HB3 LEU A 22 5.041 13.126 20.085 1.00 23.11 H new ATOM 0 HG LEU A 22 7.382 13.242 21.468 1.00 70.13 H new ATOM 0 HD11 LEU A 22 8.769 11.336 20.751 1.00 70.25 H new ATOM 0 HD12 LEU A 22 7.452 10.824 21.832 1.00 70.25 H new ATOM 0 HD13 LEU A 22 7.324 10.543 20.079 1.00 70.25 H new ATOM 0 HD21 LEU A 22 8.478 13.280 19.262 1.00 52.14 H new ATOM 0 HD22 LEU A 22 7.022 12.566 18.531 1.00 52.14 H new ATOM 0 HD23 LEU A 22 6.948 14.189 19.256 1.00 52.14 H new ATOM 344 N LEU A 23 4.361 15.117 22.079 1.00 11.51 N ATOM 345 CA LEU A 23 4.518 16.538 22.365 1.00 63.21 C ATOM 346 C LEU A 23 4.577 16.788 23.868 1.00 71.00 C ATOM 347 O LEU A 23 5.416 17.549 24.349 1.00 50.44 O ATOM 348 CB LEU A 23 3.365 17.333 21.749 1.00 42.30 C ATOM 349 CG LEU A 23 3.728 18.239 20.572 1.00 45.41 C ATOM 350 CD1 LEU A 23 4.204 17.411 19.388 1.00 3.52 C ATOM 351 CD2 LEU A 23 2.539 19.101 20.177 1.00 61.44 C ATOM 0 H LEU A 23 3.563 14.892 21.485 1.00 11.51 H new ATOM 0 HA LEU A 23 5.457 16.870 21.923 1.00 63.21 H new ATOM 0 HB2 LEU A 23 2.601 16.629 21.418 1.00 42.30 H new ATOM 0 HB3 LEU A 23 2.916 17.947 22.529 1.00 42.30 H new ATOM 0 HG LEU A 23 4.541 18.895 20.881 1.00 45.41 H new ATOM 0 HD11 LEU A 23 4.458 18.073 18.560 1.00 3.52 H new ATOM 0 HD12 LEU A 23 5.084 16.836 19.676 1.00 3.52 H new ATOM 0 HD13 LEU A 23 3.411 16.730 19.078 1.00 3.52 H new ATOM 0 HD21 LEU A 23 2.815 19.739 19.338 1.00 61.44 H new ATOM 0 HD22 LEU A 23 1.706 18.461 19.887 1.00 61.44 H new ATOM 0 HD23 LEU A 23 2.242 19.721 21.023 1.00 61.44 H new ATOM 363 N ASP A 24 3.681 16.140 24.606 1.00 43.32 N ATOM 364 CA ASP A 24 3.633 16.289 26.056 1.00 71.03 C ATOM 365 C ASP A 24 4.982 15.949 26.682 1.00 32.32 C ATOM 366 O ASP A 24 5.354 16.502 27.718 1.00 11.11 O ATOM 367 CB ASP A 24 2.543 15.394 26.646 1.00 5.02 C ATOM 368 CG ASP A 24 1.851 16.031 27.835 1.00 21.24 C ATOM 369 OD1 ASP A 24 2.554 16.608 28.690 1.00 24.33 O ATOM 370 OD2 ASP A 24 0.607 15.951 27.910 1.00 52.11 O ATOM 0 H ASP A 24 2.979 15.507 24.224 1.00 43.32 H new ATOM 0 HA ASP A 24 3.400 17.329 26.282 1.00 71.03 H new ATOM 0 HB2 ASP A 24 1.804 15.171 25.876 1.00 5.02 H new ATOM 0 HB3 ASP A 24 2.982 14.444 26.951 1.00 5.02 H new ATOM 375 N LEU A 25 5.709 15.036 26.048 1.00 11.41 N ATOM 376 CA LEU A 25 7.017 14.621 26.544 1.00 4.43 C ATOM 377 C LEU A 25 7.982 15.801 26.590 1.00 75.22 C ATOM 378 O LEU A 25 8.841 15.880 27.467 1.00 53.34 O ATOM 379 CB LEU A 25 7.592 13.513 25.659 1.00 32.22 C ATOM 380 CG LEU A 25 8.194 12.313 26.392 1.00 40.34 C ATOM 381 CD1 LEU A 25 9.309 12.762 27.325 1.00 63.53 C ATOM 382 CD2 LEU A 25 7.118 11.566 27.165 1.00 72.11 C ATOM 0 H LEU A 25 5.416 14.569 25.190 1.00 11.41 H new ATOM 0 HA LEU A 25 6.889 14.240 27.557 1.00 4.43 H new ATOM 0 HB2 LEU A 25 6.800 13.152 25.002 1.00 32.22 H new ATOM 0 HB3 LEU A 25 8.362 13.948 25.021 1.00 32.22 H new ATOM 0 HG LEU A 25 8.618 11.635 25.652 1.00 40.34 H new ATOM 0 HD11 LEU A 25 9.725 11.895 27.838 1.00 63.53 H new ATOM 0 HD12 LEU A 25 10.092 13.252 26.747 1.00 63.53 H new ATOM 0 HD13 LEU A 25 8.909 13.461 28.060 1.00 63.53 H new ATOM 0 HD21 LEU A 25 7.564 10.715 27.680 1.00 72.11 H new ATOM 0 HD22 LEU A 25 6.664 12.235 27.896 1.00 72.11 H new ATOM 0 HD23 LEU A 25 6.354 11.211 26.474 1.00 72.11 H new ATOM 394 N VAL A 26 7.832 16.719 25.641 1.00 64.11 N ATOM 395 CA VAL A 26 8.687 17.899 25.574 1.00 11.43 C ATOM 396 C VAL A 26 8.418 18.839 26.744 1.00 2.23 C ATOM 397 O VAL A 26 9.338 19.227 27.464 1.00 15.45 O ATOM 398 CB VAL A 26 8.484 18.666 24.255 1.00 40.12 C ATOM 399 CG1 VAL A 26 9.493 19.798 24.134 1.00 54.14 C ATOM 400 CG2 VAL A 26 8.586 17.722 23.067 1.00 11.32 C ATOM 0 H VAL A 26 7.126 16.669 24.907 1.00 64.11 H new ATOM 0 HA VAL A 26 9.717 17.547 25.624 1.00 11.43 H new ATOM 0 HB VAL A 26 7.484 19.101 24.259 1.00 40.12 H new ATOM 0 HG11 VAL A 26 9.334 20.329 23.195 1.00 54.14 H new ATOM 0 HG12 VAL A 26 9.366 20.489 24.967 1.00 54.14 H new ATOM 0 HG13 VAL A 26 10.503 19.389 24.153 1.00 54.14 H new ATOM 0 HG21 VAL A 26 8.440 18.282 22.143 1.00 11.32 H new ATOM 0 HG22 VAL A 26 9.571 17.256 23.056 1.00 11.32 H new ATOM 0 HG23 VAL A 26 7.820 16.951 23.148 1.00 11.32 H new ATOM 410 N GLN A 27 7.152 19.200 26.927 1.00 44.13 N ATOM 411 CA GLN A 27 6.763 20.096 28.010 1.00 4.11 C ATOM 412 C GLN A 27 7.129 19.501 29.365 1.00 32.41 C ATOM 413 O GLN A 27 7.523 20.221 30.282 1.00 53.30 O ATOM 414 CB GLN A 27 5.261 20.377 27.950 1.00 35.41 C ATOM 415 CG GLN A 27 4.743 21.169 29.142 1.00 24.11 C ATOM 416 CD GLN A 27 3.289 21.568 28.989 1.00 64.14 C ATOM 417 OE1 GLN A 27 2.670 21.318 27.954 1.00 35.23 O ATOM 418 NE2 GLN A 27 2.736 22.195 30.020 1.00 53.24 N ATOM 0 H GLN A 27 6.379 18.886 26.340 1.00 44.13 H new ATOM 0 HA GLN A 27 7.306 21.033 27.888 1.00 4.11 H new ATOM 0 HB2 GLN A 27 5.038 20.926 27.035 1.00 35.41 H new ATOM 0 HB3 GLN A 27 4.724 19.430 27.892 1.00 35.41 H new ATOM 0 HG2 GLN A 27 4.859 20.573 30.047 1.00 24.11 H new ATOM 0 HG3 GLN A 27 5.350 22.065 29.270 1.00 24.11 H new ATOM 0 HE21 GLN A 27 3.286 22.382 30.858 1.00 53.24 H new ATOM 0 HE22 GLN A 27 1.761 22.490 29.974 1.00 53.24 H new ATOM 427 N GLN A 28 6.994 18.184 29.485 1.00 64.30 N ATOM 428 CA GLN A 28 7.309 17.494 30.730 1.00 2.22 C ATOM 429 C GLN A 28 8.782 17.660 31.085 1.00 11.33 C ATOM 430 O GLN A 28 9.148 17.694 32.261 1.00 30.43 O ATOM 431 CB GLN A 28 6.963 16.008 30.615 1.00 74.11 C ATOM 432 CG GLN A 28 5.468 15.734 30.569 1.00 10.33 C ATOM 433 CD GLN A 28 4.897 15.381 31.928 1.00 3.21 C ATOM 434 OE1 GLN A 28 4.220 16.193 32.559 1.00 32.12 O ATOM 435 NE2 GLN A 28 5.168 14.165 32.387 1.00 11.24 N ATOM 0 H GLN A 28 6.669 17.574 28.735 1.00 64.30 H new ATOM 0 HA GLN A 28 6.710 17.938 31.525 1.00 2.22 H new ATOM 0 HB2 GLN A 28 7.426 15.604 29.715 1.00 74.11 H new ATOM 0 HB3 GLN A 28 7.396 15.476 31.462 1.00 74.11 H new ATOM 0 HG2 GLN A 28 4.953 16.613 30.180 1.00 10.33 H new ATOM 0 HG3 GLN A 28 5.273 14.917 29.874 1.00 10.33 H new ATOM 0 HE21 GLN A 28 5.733 13.524 31.830 1.00 11.24 H new ATOM 0 HE22 GLN A 28 4.811 13.872 33.296 1.00 11.24 H new ATOM 444 N SER A 29 9.625 17.761 30.063 1.00 4.12 N ATOM 445 CA SER A 29 11.060 17.918 30.268 1.00 11.42 C ATOM 446 C SER A 29 11.359 19.173 31.084 1.00 64.41 C ATOM 447 O SER A 29 12.122 19.132 32.049 1.00 45.23 O ATOM 448 CB SER A 29 11.785 17.987 28.922 1.00 13.21 C ATOM 449 OG SER A 29 11.285 17.013 28.023 1.00 34.41 O ATOM 0 H SER A 29 9.339 17.737 29.084 1.00 4.12 H new ATOM 0 HA SER A 29 11.419 17.051 30.822 1.00 11.42 H new ATOM 0 HB2 SER A 29 11.664 18.981 28.491 1.00 13.21 H new ATOM 0 HB3 SER A 29 12.853 17.833 29.073 1.00 13.21 H new ATOM 0 HG SER A 29 10.454 17.338 27.618 1.00 34.41 H new ATOM 455 N CYS A 30 10.750 20.285 30.688 1.00 53.23 N ATOM 456 CA CYS A 30 10.950 21.553 31.382 1.00 62.53 C ATOM 457 C CYS A 30 10.645 21.413 32.870 1.00 2.31 C ATOM 458 O CYS A 30 11.260 22.077 33.704 1.00 24.02 O ATOM 459 CB CYS A 30 10.065 22.638 30.767 1.00 72.25 C ATOM 460 SG CYS A 30 10.273 22.838 28.982 1.00 75.24 S ATOM 0 H CYS A 30 10.115 20.335 29.892 1.00 53.23 H new ATOM 0 HA CYS A 30 11.996 21.840 31.270 1.00 62.53 H new ATOM 0 HB2 CYS A 30 9.022 22.402 30.976 1.00 72.25 H new ATOM 0 HB3 CYS A 30 10.281 23.588 31.256 1.00 72.25 H new ATOM 0 HG CYS A 30 9.481 23.777 28.555 1.00 75.24 H new ATOM 466 N ASN A 31 9.691 20.547 33.194 1.00 20.24 N ATOM 467 CA ASN A 31 9.303 20.321 34.582 1.00 62.25 C ATOM 468 C ASN A 31 10.468 19.752 35.386 1.00 61.51 C ATOM 469 O ASN A 31 10.533 19.917 36.605 1.00 1.23 O ATOM 470 CB ASN A 31 8.107 19.370 34.650 1.00 50.51 C ATOM 471 CG ASN A 31 6.958 19.820 33.768 1.00 1.40 C ATOM 472 OD1 ASN A 31 6.969 20.930 33.236 1.00 21.54 O ATOM 473 ND2 ASN A 31 5.962 18.957 33.611 1.00 23.50 N ATOM 0 H ASN A 31 9.172 19.990 32.515 1.00 20.24 H new ATOM 0 HA ASN A 31 9.020 21.280 35.016 1.00 62.25 H new ATOM 0 HB2 ASN A 31 8.423 18.371 34.348 1.00 50.51 H new ATOM 0 HB3 ASN A 31 7.762 19.297 35.682 1.00 50.51 H new ATOM 0 HD21 ASN A 31 5.161 19.203 33.029 1.00 23.50 H new ATOM 0 HD22 ASN A 31 5.997 18.048 34.072 1.00 23.50 H new ATOM 480 N TYR A 32 11.384 19.082 34.696 1.00 52.31 N ATOM 481 CA TYR A 32 12.545 18.486 35.347 1.00 50.53 C ATOM 482 C TYR A 32 13.753 19.415 35.262 1.00 60.00 C ATOM 483 O TYR A 32 14.900 18.967 35.304 1.00 42.14 O ATOM 484 CB TYR A 32 12.879 17.138 34.706 1.00 63.24 C ATOM 485 CG TYR A 32 13.212 16.057 35.709 1.00 14.34 C ATOM 486 CD1 TYR A 32 12.208 15.395 36.406 1.00 45.25 C ATOM 487 CD2 TYR A 32 14.530 15.697 35.960 1.00 30.14 C ATOM 488 CE1 TYR A 32 12.508 14.407 37.324 1.00 44.23 C ATOM 489 CE2 TYR A 32 14.840 14.709 36.875 1.00 62.41 C ATOM 490 CZ TYR A 32 13.824 14.067 37.555 1.00 50.52 C ATOM 491 OH TYR A 32 14.128 13.083 38.467 1.00 11.04 O ATOM 0 H TYR A 32 11.345 18.938 33.687 1.00 52.31 H new ATOM 0 HA TYR A 32 12.301 18.331 36.398 1.00 50.53 H new ATOM 0 HB2 TYR A 32 12.032 16.813 34.102 1.00 63.24 H new ATOM 0 HB3 TYR A 32 13.723 17.266 34.029 1.00 63.24 H new ATOM 0 HD1 TYR A 32 11.176 15.657 36.227 1.00 45.25 H new ATOM 0 HD2 TYR A 32 15.327 16.198 35.431 1.00 30.14 H new ATOM 0 HE1 TYR A 32 11.716 13.904 37.858 1.00 44.23 H new ATOM 0 HE2 TYR A 32 15.870 14.441 37.057 1.00 62.41 H new ATOM 0 HH TYR A 32 15.100 12.965 38.509 1.00 11.04 H new ATOM 501 N LYS A 33 13.487 20.712 35.143 1.00 4.33 N ATOM 502 CA LYS A 33 14.551 21.706 35.054 1.00 31.44 C ATOM 503 C LYS A 33 15.472 21.414 33.874 1.00 34.30 C ATOM 504 O LYS A 33 16.641 21.797 33.879 1.00 24.24 O ATOM 505 CB LYS A 33 15.360 21.734 36.352 1.00 50.22 C ATOM 506 CG LYS A 33 14.502 21.802 37.604 1.00 44.00 C ATOM 507 CD LYS A 33 15.320 22.202 38.820 1.00 31.32 C ATOM 508 CE LYS A 33 15.221 23.695 39.093 1.00 1.45 C ATOM 509 NZ LYS A 33 16.249 24.150 40.069 1.00 10.22 N ATOM 0 H LYS A 33 12.544 21.099 35.106 1.00 4.33 H new ATOM 0 HA LYS A 33 14.090 22.682 34.899 1.00 31.44 H new ATOM 0 HB2 LYS A 33 15.986 20.843 36.399 1.00 50.22 H new ATOM 0 HB3 LYS A 33 16.030 22.594 36.334 1.00 50.22 H new ATOM 0 HG2 LYS A 33 13.696 22.520 37.455 1.00 44.00 H new ATOM 0 HG3 LYS A 33 14.037 20.832 37.780 1.00 44.00 H new ATOM 0 HD2 LYS A 33 14.972 21.648 39.692 1.00 31.32 H new ATOM 0 HD3 LYS A 33 16.363 21.928 38.664 1.00 31.32 H new ATOM 0 HE2 LYS A 33 15.340 24.244 38.159 1.00 1.45 H new ATOM 0 HE3 LYS A 33 14.228 23.929 39.476 1.00 1.45 H new ATOM 0 HZ1 LYS A 33 16.148 25.173 40.228 1.00 10.22 H new ATOM 0 HZ2 LYS A 33 16.121 23.645 40.969 1.00 10.22 H new ATOM 0 HZ3 LYS A 33 17.198 23.950 39.692 1.00 10.22 H new ATOM 523 N GLN A 34 14.936 20.735 32.865 1.00 23.33 N ATOM 524 CA GLN A 34 15.711 20.393 31.678 1.00 32.02 C ATOM 525 C GLN A 34 14.932 20.718 30.408 1.00 5.44 C ATOM 526 O GLN A 34 13.746 20.404 30.296 1.00 2.14 O ATOM 527 CB GLN A 34 16.085 18.910 31.697 1.00 20.41 C ATOM 528 CG GLN A 34 17.339 18.609 32.500 1.00 35.03 C ATOM 529 CD GLN A 34 17.735 17.147 32.437 1.00 52.11 C ATOM 530 OE1 GLN A 34 18.906 16.816 32.246 1.00 52.04 O ATOM 531 NE2 GLN A 34 16.759 16.261 32.599 1.00 45.54 N ATOM 0 H GLN A 34 13.969 20.411 32.846 1.00 23.33 H new ATOM 0 HA GLN A 34 16.623 20.990 31.685 1.00 32.02 H new ATOM 0 HB2 GLN A 34 15.253 18.339 32.110 1.00 20.41 H new ATOM 0 HB3 GLN A 34 16.229 18.567 30.672 1.00 20.41 H new ATOM 0 HG2 GLN A 34 18.160 19.220 32.127 1.00 35.03 H new ATOM 0 HG3 GLN A 34 17.177 18.893 33.540 1.00 35.03 H new ATOM 0 HE21 GLN A 34 15.802 16.579 32.755 1.00 45.54 H new ATOM 0 HE22 GLN A 34 16.966 15.263 32.568 1.00 45.54 H new ATOM 540 N LEU A 35 15.606 21.347 29.451 1.00 43.12 N ATOM 541 CA LEU A 35 14.977 21.715 28.188 1.00 4.31 C ATOM 542 C LEU A 35 16.020 22.175 27.174 1.00 31.01 C ATOM 543 O LEU A 35 17.109 22.614 27.545 1.00 5.21 O ATOM 544 CB LEU A 35 13.944 22.820 28.412 1.00 21.41 C ATOM 545 CG LEU A 35 14.294 23.859 29.477 1.00 70.11 C ATOM 546 CD1 LEU A 35 15.633 24.512 29.168 1.00 32.53 C ATOM 547 CD2 LEU A 35 13.197 24.910 29.577 1.00 30.14 C ATOM 0 H LEU A 35 16.588 21.613 29.526 1.00 43.12 H new ATOM 0 HA LEU A 35 14.475 20.833 27.790 1.00 4.31 H new ATOM 0 HB2 LEU A 35 13.784 23.338 27.466 1.00 21.41 H new ATOM 0 HB3 LEU A 35 12.997 22.355 28.684 1.00 21.41 H new ATOM 0 HG LEU A 35 14.374 23.352 30.439 1.00 70.11 H new ATOM 0 HD11 LEU A 35 15.865 25.249 29.937 1.00 32.53 H new ATOM 0 HD12 LEU A 35 16.413 23.751 29.148 1.00 32.53 H new ATOM 0 HD13 LEU A 35 15.582 25.005 28.197 1.00 32.53 H new ATOM 0 HD21 LEU A 35 13.463 25.642 30.340 1.00 30.14 H new ATOM 0 HD22 LEU A 35 13.085 25.412 28.616 1.00 30.14 H new ATOM 0 HD23 LEU A 35 12.256 24.430 29.847 1.00 30.14 H new ATOM 559 N ARG A 36 15.678 22.076 25.893 1.00 14.13 N ATOM 560 CA ARG A 36 16.585 22.483 24.827 1.00 62.44 C ATOM 561 C ARG A 36 15.811 22.821 23.555 1.00 33.44 C ATOM 562 O ARG A 36 14.914 22.083 23.147 1.00 71.12 O ATOM 563 CB ARG A 36 17.599 21.375 24.539 1.00 40.12 C ATOM 564 CG ARG A 36 18.961 21.617 25.171 1.00 73.42 C ATOM 565 CD ARG A 36 19.905 22.317 24.207 1.00 72.30 C ATOM 566 NE ARG A 36 21.143 22.733 24.859 1.00 53.34 N ATOM 567 CZ ARG A 36 21.230 23.781 25.672 1.00 43.00 C ATOM 568 NH1 ARG A 36 20.157 24.514 25.930 1.00 34.43 N ATOM 569 NH2 ARG A 36 22.392 24.096 26.228 1.00 44.24 N ATOM 0 H ARG A 36 14.780 21.718 25.569 1.00 14.13 H new ATOM 0 HA ARG A 36 17.117 23.375 25.158 1.00 62.44 H new ATOM 0 HB2 ARG A 36 17.202 20.427 24.903 1.00 40.12 H new ATOM 0 HB3 ARG A 36 17.721 21.277 23.460 1.00 40.12 H new ATOM 0 HG2 ARG A 36 18.844 22.221 26.071 1.00 73.42 H new ATOM 0 HG3 ARG A 36 19.394 20.666 25.480 1.00 73.42 H new ATOM 0 HD2 ARG A 36 20.139 21.648 23.379 1.00 72.30 H new ATOM 0 HD3 ARG A 36 19.408 23.189 23.782 1.00 72.30 H new ATOM 0 HE ARG A 36 21.988 22.190 24.681 1.00 53.34 H new ATOM 0 HH11 ARG A 36 19.261 24.275 25.504 1.00 34.43 H new ATOM 0 HH12 ARG A 36 20.226 25.318 26.554 1.00 34.43 H new ATOM 0 HH21 ARG A 36 23.220 23.534 26.032 1.00 44.24 H new ATOM 0 HH22 ARG A 36 22.458 24.900 26.852 1.00 44.24 H new ATOM 583 N LYS A 37 16.163 23.942 22.935 1.00 42.12 N ATOM 584 CA LYS A 37 15.504 24.378 21.710 1.00 52.32 C ATOM 585 C LYS A 37 16.459 25.186 20.836 1.00 2.44 C ATOM 586 O LYS A 37 16.437 26.416 20.847 1.00 34.43 O ATOM 587 CB LYS A 37 14.268 25.217 22.043 1.00 60.15 C ATOM 588 CG LYS A 37 14.327 25.870 23.414 1.00 11.52 C ATOM 589 CD LYS A 37 15.490 26.842 23.519 1.00 43.14 C ATOM 590 CE LYS A 37 15.730 27.271 24.958 1.00 75.32 C ATOM 591 NZ LYS A 37 17.083 26.874 25.437 1.00 34.44 N ATOM 0 H LYS A 37 16.902 24.565 23.261 1.00 42.12 H new ATOM 0 HA LYS A 37 15.196 23.491 21.157 1.00 52.32 H new ATOM 0 HB2 LYS A 37 14.150 25.992 21.286 1.00 60.15 H new ATOM 0 HB3 LYS A 37 13.383 24.582 21.990 1.00 60.15 H new ATOM 0 HG2 LYS A 37 13.393 26.397 23.608 1.00 11.52 H new ATOM 0 HG3 LYS A 37 14.424 25.101 24.180 1.00 11.52 H new ATOM 0 HD2 LYS A 37 16.392 26.376 23.122 1.00 43.14 H new ATOM 0 HD3 LYS A 37 15.288 27.720 22.905 1.00 43.14 H new ATOM 0 HE2 LYS A 37 15.619 28.352 25.038 1.00 75.32 H new ATOM 0 HE3 LYS A 37 14.972 26.825 25.601 1.00 75.32 H new ATOM 0 HZ1 LYS A 37 17.208 27.184 26.422 1.00 34.44 H new ATOM 0 HZ2 LYS A 37 17.180 25.840 25.385 1.00 34.44 H new ATOM 0 HZ3 LYS A 37 17.808 27.320 24.839 1.00 34.44 H new ATOM 605 N GLY A 38 17.296 24.484 20.078 1.00 65.14 N ATOM 606 CA GLY A 38 18.246 25.152 19.207 1.00 1.13 C ATOM 607 C GLY A 38 18.987 24.184 18.307 1.00 40.31 C ATOM 608 O GLY A 38 19.467 23.146 18.762 1.00 53.21 O ATOM 0 H GLY A 38 17.333 23.465 20.051 1.00 65.14 H new ATOM 0 HA2 GLY A 38 17.720 25.883 18.594 1.00 1.13 H new ATOM 0 HA3 GLY A 38 18.965 25.703 19.813 1.00 1.13 H new ATOM 612 N ALA A 39 19.081 24.524 17.026 1.00 3.04 N ATOM 613 CA ALA A 39 19.770 23.677 16.060 1.00 65.33 C ATOM 614 C ALA A 39 21.276 23.682 16.301 1.00 25.05 C ATOM 615 O ALA A 39 21.900 22.627 16.401 1.00 40.32 O ATOM 616 CB ALA A 39 19.459 24.134 14.642 1.00 3.34 C ATOM 0 H ALA A 39 18.689 25.380 16.633 1.00 3.04 H new ATOM 0 HA ALA A 39 19.412 22.656 16.188 1.00 65.33 H new ATOM 0 HB1 ALA A 39 19.980 23.493 13.931 1.00 3.34 H new ATOM 0 HB2 ALA A 39 18.385 24.072 14.467 1.00 3.34 H new ATOM 0 HB3 ALA A 39 19.789 25.164 14.511 1.00 3.34 H new ATOM 622 N ASN A 40 21.852 24.876 16.392 1.00 14.51 N ATOM 623 CA ASN A 40 23.285 25.017 16.621 1.00 3.10 C ATOM 624 C ASN A 40 23.668 24.513 18.010 1.00 63.44 C ATOM 625 O ASN A 40 24.747 23.956 18.203 1.00 60.15 O ATOM 626 CB ASN A 40 23.707 26.480 16.463 1.00 32.14 C ATOM 627 CG ASN A 40 25.052 26.623 15.778 1.00 12.43 C ATOM 628 OD1 ASN A 40 26.069 26.137 16.273 1.00 33.43 O ATOM 629 ND2 ASN A 40 25.063 27.294 14.632 1.00 2.35 N ATOM 0 H ASN A 40 21.349 25.759 16.311 1.00 14.51 H new ATOM 0 HA ASN A 40 23.806 24.413 15.879 1.00 3.10 H new ATOM 0 HB2 ASN A 40 22.951 27.013 15.887 1.00 32.14 H new ATOM 0 HB3 ASN A 40 23.751 26.951 17.445 1.00 32.14 H new ATOM 0 HD21 ASN A 40 25.939 27.424 14.125 1.00 2.35 H new ATOM 0 HD22 ASN A 40 24.196 27.680 14.259 1.00 2.35 H new ATOM 636 N GLU A 41 22.773 24.714 18.973 1.00 22.03 N ATOM 637 CA GLU A 41 23.016 24.280 20.344 1.00 44.34 C ATOM 638 C GLU A 41 22.804 22.776 20.484 1.00 1.44 C ATOM 639 O GLU A 41 23.431 22.125 21.320 1.00 34.41 O ATOM 640 CB GLU A 41 22.097 25.029 21.310 1.00 15.41 C ATOM 641 CG GLU A 41 22.752 26.235 21.962 1.00 75.22 C ATOM 642 CD GLU A 41 21.884 26.859 23.039 1.00 5.31 C ATOM 643 OE1 GLU A 41 20.774 26.339 23.280 1.00 62.54 O ATOM 644 OE2 GLU A 41 22.316 27.864 23.640 1.00 33.42 O ATOM 0 H GLU A 41 21.874 25.174 18.829 1.00 22.03 H new ATOM 0 HA GLU A 41 24.053 24.507 20.592 1.00 44.34 H new ATOM 0 HB2 GLU A 41 21.207 25.356 20.772 1.00 15.41 H new ATOM 0 HB3 GLU A 41 21.764 24.342 22.088 1.00 15.41 H new ATOM 0 HG2 GLU A 41 23.705 25.935 22.397 1.00 75.22 H new ATOM 0 HG3 GLU A 41 22.971 26.982 21.199 1.00 75.22 H new ATOM 651 N ALA A 42 21.915 22.230 19.660 1.00 54.04 N ATOM 652 CA ALA A 42 21.620 20.803 19.691 1.00 44.41 C ATOM 653 C ALA A 42 22.880 19.977 19.454 1.00 51.00 C ATOM 654 O ALA A 42 22.990 18.844 19.924 1.00 11.42 O ATOM 655 CB ALA A 42 20.560 20.461 18.656 1.00 22.11 C ATOM 0 H ALA A 42 21.387 22.755 18.963 1.00 54.04 H new ATOM 0 HA ALA A 42 21.237 20.557 20.682 1.00 44.41 H new ATOM 0 HB1 ALA A 42 20.350 19.392 18.690 1.00 22.11 H new ATOM 0 HB2 ALA A 42 19.648 21.018 18.872 1.00 22.11 H new ATOM 0 HB3 ALA A 42 20.922 20.728 17.663 1.00 22.11 H new ATOM 661 N THR A 43 23.830 20.551 18.722 1.00 61.31 N ATOM 662 CA THR A 43 25.081 19.867 18.420 1.00 32.51 C ATOM 663 C THR A 43 25.871 19.581 19.692 1.00 70.33 C ATOM 664 O THR A 43 26.681 18.654 19.738 1.00 34.43 O ATOM 665 CB THR A 43 25.957 20.695 17.461 1.00 24.23 C ATOM 666 OG1 THR A 43 26.413 21.883 18.115 1.00 50.21 O ATOM 667 CG2 THR A 43 25.180 21.066 16.206 1.00 44.55 C ATOM 0 H THR A 43 23.756 21.489 18.327 1.00 61.31 H new ATOM 0 HA THR A 43 24.818 18.925 17.938 1.00 32.51 H new ATOM 0 HB THR A 43 26.816 20.089 17.173 1.00 24.23 H new ATOM 0 HG1 THR A 43 25.672 22.520 18.191 1.00 50.21 H new ATOM 0 HG21 THR A 43 25.818 21.650 15.543 1.00 44.55 H new ATOM 0 HG22 THR A 43 24.860 20.158 15.695 1.00 44.55 H new ATOM 0 HG23 THR A 43 24.305 21.655 16.481 1.00 44.55 H new ATOM 675 N LYS A 44 25.632 20.384 20.724 1.00 10.24 N ATOM 676 CA LYS A 44 26.320 20.217 21.999 1.00 51.30 C ATOM 677 C LYS A 44 25.691 19.091 22.814 1.00 73.52 C ATOM 678 O LYS A 44 26.390 18.310 23.457 1.00 13.44 O ATOM 679 CB LYS A 44 26.283 21.522 22.796 1.00 14.13 C ATOM 680 CG LYS A 44 27.452 22.446 22.507 1.00 51.33 C ATOM 681 CD LYS A 44 28.058 22.998 23.786 1.00 32.20 C ATOM 682 CE LYS A 44 29.359 23.736 23.513 1.00 54.21 C ATOM 683 NZ LYS A 44 29.872 24.425 24.731 1.00 31.11 N ATOM 0 H LYS A 44 24.967 21.157 20.702 1.00 10.24 H new ATOM 0 HA LYS A 44 27.358 19.955 21.792 1.00 51.30 H new ATOM 0 HB2 LYS A 44 25.353 22.046 22.575 1.00 14.13 H new ATOM 0 HB3 LYS A 44 26.271 21.287 23.860 1.00 14.13 H new ATOM 0 HG2 LYS A 44 28.214 21.905 21.947 1.00 51.33 H new ATOM 0 HG3 LYS A 44 27.118 23.270 21.877 1.00 51.33 H new ATOM 0 HD2 LYS A 44 27.349 23.674 24.264 1.00 32.20 H new ATOM 0 HD3 LYS A 44 28.241 22.182 24.485 1.00 32.20 H new ATOM 0 HE2 LYS A 44 30.108 23.031 23.152 1.00 54.21 H new ATOM 0 HE3 LYS A 44 29.202 24.468 22.721 1.00 54.21 H new ATOM 0 HZ1 LYS A 44 30.760 24.916 24.504 1.00 31.11 H new ATOM 0 HZ2 LYS A 44 29.168 25.116 25.061 1.00 31.11 H new ATOM 0 HZ3 LYS A 44 30.046 23.724 25.479 1.00 31.11 H new ATOM 697 N THR A 45 24.364 19.015 22.781 1.00 33.10 N ATOM 698 CA THR A 45 23.639 17.986 23.517 1.00 13.43 C ATOM 699 C THR A 45 24.115 16.592 23.125 1.00 64.11 C ATOM 700 O THR A 45 24.309 15.726 23.980 1.00 73.35 O ATOM 701 CB THR A 45 22.121 18.085 23.274 1.00 43.53 C ATOM 702 OG1 THR A 45 21.813 17.685 21.935 1.00 62.30 O ATOM 703 CG2 THR A 45 21.627 19.504 23.513 1.00 21.45 C ATOM 0 H THR A 45 23.770 19.654 22.253 1.00 33.10 H new ATOM 0 HA THR A 45 23.841 18.152 24.575 1.00 13.43 H new ATOM 0 HB THR A 45 21.618 17.420 23.975 1.00 43.53 H new ATOM 0 HG1 THR A 45 22.087 18.390 21.312 1.00 62.30 H new ATOM 0 HG21 THR A 45 20.553 19.550 23.335 1.00 21.45 H new ATOM 0 HG22 THR A 45 21.837 19.794 24.542 1.00 21.45 H new ATOM 0 HG23 THR A 45 22.137 20.186 22.833 1.00 21.45 H new ATOM 711 N LEU A 46 24.304 16.380 21.827 1.00 23.53 N ATOM 712 CA LEU A 46 24.759 15.089 21.321 1.00 41.12 C ATOM 713 C LEU A 46 26.249 14.896 21.582 1.00 72.42 C ATOM 714 O LEU A 46 26.692 13.802 21.925 1.00 4.13 O ATOM 715 CB LEU A 46 24.473 14.978 19.821 1.00 53.34 C ATOM 716 CG LEU A 46 25.454 14.127 19.013 1.00 54.23 C ATOM 717 CD1 LEU A 46 25.478 12.699 19.536 1.00 14.10 C ATOM 718 CD2 LEU A 46 25.088 14.151 17.537 1.00 2.33 C ATOM 0 H LEU A 46 24.149 17.085 21.106 1.00 23.53 H new ATOM 0 HA LEU A 46 24.213 14.307 21.848 1.00 41.12 H new ATOM 0 HB2 LEU A 46 23.473 14.565 19.692 1.00 53.34 H new ATOM 0 HB3 LEU A 46 24.460 15.983 19.398 1.00 53.34 H new ATOM 0 HG LEU A 46 26.452 14.550 19.126 1.00 54.23 H new ATOM 0 HD11 LEU A 46 26.181 12.108 18.949 1.00 14.10 H new ATOM 0 HD12 LEU A 46 25.788 12.699 20.581 1.00 14.10 H new ATOM 0 HD13 LEU A 46 24.482 12.264 19.453 1.00 14.10 H new ATOM 0 HD21 LEU A 46 25.796 13.541 16.977 1.00 2.33 H new ATOM 0 HD22 LEU A 46 24.082 13.753 17.405 1.00 2.33 H new ATOM 0 HD23 LEU A 46 25.123 15.177 17.170 1.00 2.33 H new ATOM 730 N ASN A 47 27.016 15.970 21.420 1.00 11.31 N ATOM 731 CA ASN A 47 28.457 15.919 21.640 1.00 12.41 C ATOM 732 C ASN A 47 28.774 15.652 23.109 1.00 73.10 C ATOM 733 O ASN A 47 29.834 15.122 23.439 1.00 13.34 O ATOM 734 CB ASN A 47 29.109 17.230 21.196 1.00 1.15 C ATOM 735 CG ASN A 47 29.734 17.128 19.819 1.00 3.34 C ATOM 736 OD1 ASN A 47 30.913 16.797 19.683 1.00 25.54 O ATOM 737 ND2 ASN A 47 28.945 17.410 18.788 1.00 73.12 N ATOM 0 H ASN A 47 26.664 16.885 21.138 1.00 11.31 H new ATOM 0 HA ASN A 47 28.861 15.100 21.045 1.00 12.41 H new ATOM 0 HB2 ASN A 47 28.360 18.022 21.194 1.00 1.15 H new ATOM 0 HB3 ASN A 47 29.874 17.515 21.919 1.00 1.15 H new ATOM 0 HD21 ASN A 47 29.310 17.357 17.837 1.00 73.12 H new ATOM 0 HD22 ASN A 47 27.974 17.680 18.947 1.00 73.12 H new ATOM 744 N ARG A 48 27.847 16.025 23.986 1.00 20.15 N ATOM 745 CA ARG A 48 28.027 15.827 25.418 1.00 15.11 C ATOM 746 C ARG A 48 27.737 14.380 25.808 1.00 10.41 C ATOM 747 O ARG A 48 28.238 13.886 26.818 1.00 22.51 O ATOM 748 CB ARG A 48 27.114 16.771 26.204 1.00 12.42 C ATOM 749 CG ARG A 48 27.644 17.119 27.585 1.00 33.03 C ATOM 750 CD ARG A 48 27.767 18.624 27.772 1.00 1.23 C ATOM 751 NE ARG A 48 29.120 19.100 27.495 1.00 35.24 N ATOM 752 CZ ARG A 48 29.465 20.383 27.512 1.00 32.31 C ATOM 753 NH1 ARG A 48 28.561 21.312 27.791 1.00 2.12 N ATOM 754 NH2 ARG A 48 30.716 20.738 27.251 1.00 24.41 N ATOM 0 H ARG A 48 26.964 16.466 23.729 1.00 20.15 H new ATOM 0 HA ARG A 48 29.066 16.050 25.662 1.00 15.11 H new ATOM 0 HB2 ARG A 48 26.978 17.690 25.634 1.00 12.42 H new ATOM 0 HB3 ARG A 48 26.131 16.311 26.306 1.00 12.42 H new ATOM 0 HG2 ARG A 48 26.978 16.710 28.345 1.00 33.03 H new ATOM 0 HG3 ARG A 48 28.618 16.652 27.730 1.00 33.03 H new ATOM 0 HD2 ARG A 48 27.062 19.130 27.112 1.00 1.23 H new ATOM 0 HD3 ARG A 48 27.492 18.886 28.794 1.00 1.23 H new ATOM 0 HE ARG A 48 29.839 18.410 27.277 1.00 35.24 H new ATOM 0 HH11 ARG A 48 27.598 21.042 27.993 1.00 2.12 H new ATOM 0 HH12 ARG A 48 28.828 22.296 27.803 1.00 2.12 H new ATOM 0 HH21 ARG A 48 31.414 20.026 27.037 1.00 24.41 H new ATOM 0 HH22 ARG A 48 30.980 21.723 27.264 1.00 24.41 H new ATOM 768 N GLY A 49 26.925 13.706 25.000 1.00 13.15 N ATOM 769 CA GLY A 49 26.582 12.323 25.278 1.00 65.45 C ATOM 770 C GLY A 49 25.314 12.195 26.099 1.00 2.31 C ATOM 771 O GLY A 49 25.250 11.392 27.031 1.00 2.53 O ATOM 0 H GLY A 49 26.498 14.092 24.158 1.00 13.15 H new ATOM 0 HA2 GLY A 49 26.458 11.786 24.337 1.00 65.45 H new ATOM 0 HA3 GLY A 49 27.406 11.847 25.810 1.00 65.45 H new ATOM 775 N ILE A 50 24.305 12.987 25.755 1.00 75.11 N ATOM 776 CA ILE A 50 23.034 12.957 26.469 1.00 54.14 C ATOM 777 C ILE A 50 21.866 13.205 25.521 1.00 75.22 C ATOM 778 O ILE A 50 20.774 13.580 25.949 1.00 33.21 O ATOM 779 CB ILE A 50 22.997 14.007 27.597 1.00 22.24 C ATOM 780 CG1 ILE A 50 23.286 15.400 27.036 1.00 50.34 C ATOM 781 CG2 ILE A 50 23.999 13.649 28.685 1.00 21.52 C ATOM 782 CD1 ILE A 50 22.054 16.113 26.522 1.00 32.12 C ATOM 0 H ILE A 50 24.342 13.657 24.987 1.00 75.11 H new ATOM 0 HA ILE A 50 22.940 11.963 26.906 1.00 54.14 H new ATOM 0 HB ILE A 50 21.999 14.013 28.036 1.00 22.24 H new ATOM 0 HG12 ILE A 50 23.749 16.007 27.814 1.00 50.34 H new ATOM 0 HG13 ILE A 50 24.010 15.313 26.226 1.00 50.34 H new ATOM 0 HG21 ILE A 50 23.962 14.399 29.475 1.00 21.52 H new ATOM 0 HG22 ILE A 50 23.752 12.672 29.100 1.00 21.52 H new ATOM 0 HG23 ILE A 50 25.002 13.619 28.260 1.00 21.52 H new ATOM 0 HD11 ILE A 50 22.335 17.094 26.139 1.00 32.12 H new ATOM 0 HD12 ILE A 50 21.602 15.527 25.722 1.00 32.12 H new ATOM 0 HD13 ILE A 50 21.337 16.232 27.334 1.00 32.12 H new ATOM 794 N SER A 51 22.102 12.993 24.231 1.00 4.14 N ATOM 795 CA SER A 51 21.069 13.195 23.220 1.00 14.41 C ATOM 796 C SER A 51 20.279 11.910 22.986 1.00 55.35 C ATOM 797 O SER A 51 20.652 11.084 22.156 1.00 1.03 O ATOM 798 CB SER A 51 21.696 13.667 21.907 1.00 54.02 C ATOM 799 OG SER A 51 20.816 13.458 20.818 1.00 1.43 O ATOM 0 H SER A 51 23.000 12.681 23.860 1.00 4.14 H new ATOM 0 HA SER A 51 20.384 13.961 23.584 1.00 14.41 H new ATOM 0 HB2 SER A 51 21.945 14.726 21.979 1.00 54.02 H new ATOM 0 HB3 SER A 51 22.629 13.131 21.733 1.00 54.02 H new ATOM 0 HG SER A 51 21.335 13.254 20.012 1.00 1.43 H new ATOM 805 N GLU A 52 19.187 11.753 23.727 1.00 61.41 N ATOM 806 CA GLU A 52 18.344 10.569 23.600 1.00 72.33 C ATOM 807 C GLU A 52 17.040 10.904 22.882 1.00 20.21 C ATOM 808 O GLU A 52 16.419 10.039 22.263 1.00 53.10 O ATOM 809 CB GLU A 52 18.043 9.981 24.981 1.00 4.11 C ATOM 810 CG GLU A 52 18.988 8.863 25.385 1.00 41.20 C ATOM 811 CD GLU A 52 20.252 9.377 26.047 1.00 73.01 C ATOM 812 OE1 GLU A 52 20.622 10.543 25.794 1.00 1.45 O ATOM 813 OE2 GLU A 52 20.869 8.614 26.819 1.00 51.51 O ATOM 0 H GLU A 52 18.865 12.429 24.420 1.00 61.41 H new ATOM 0 HA GLU A 52 18.884 9.830 23.008 1.00 72.33 H new ATOM 0 HB2 GLU A 52 18.096 10.776 25.725 1.00 4.11 H new ATOM 0 HB3 GLU A 52 17.021 9.603 24.991 1.00 4.11 H new ATOM 0 HG2 GLU A 52 18.474 8.187 26.068 1.00 41.20 H new ATOM 0 HG3 GLU A 52 19.255 8.282 24.502 1.00 41.20 H new ATOM 820 N PHE A 53 16.630 12.165 22.970 1.00 10.02 N ATOM 821 CA PHE A 53 15.399 12.614 22.330 1.00 25.00 C ATOM 822 C PHE A 53 15.647 13.865 21.492 1.00 64.21 C ATOM 823 O PHE A 53 16.313 14.801 21.937 1.00 5.14 O ATOM 824 CB PHE A 53 14.326 12.897 23.383 1.00 61.21 C ATOM 825 CG PHE A 53 13.122 12.005 23.267 1.00 43.22 C ATOM 826 CD1 PHE A 53 13.129 10.734 23.819 1.00 54.53 C ATOM 827 CD2 PHE A 53 11.984 12.438 22.607 1.00 64.31 C ATOM 828 CE1 PHE A 53 12.025 9.912 23.713 1.00 60.40 C ATOM 829 CE2 PHE A 53 10.875 11.621 22.498 1.00 13.32 C ATOM 830 CZ PHE A 53 10.896 10.356 23.053 1.00 20.43 C ATOM 0 H PHE A 53 17.132 12.894 23.478 1.00 10.02 H new ATOM 0 HA PHE A 53 15.051 11.819 21.671 1.00 25.00 H new ATOM 0 HB2 PHE A 53 14.762 12.779 24.375 1.00 61.21 H new ATOM 0 HB3 PHE A 53 14.008 13.936 23.296 1.00 61.21 H new ATOM 0 HD1 PHE A 53 14.008 10.382 24.338 1.00 54.53 H new ATOM 0 HD2 PHE A 53 11.963 13.426 22.172 1.00 64.31 H new ATOM 0 HE1 PHE A 53 12.044 8.923 24.146 1.00 60.40 H new ATOM 0 HE2 PHE A 53 9.994 11.970 21.980 1.00 13.32 H new ATOM 0 HZ PHE A 53 10.031 9.715 22.971 1.00 20.43 H new ATOM 840 N ILE A 54 15.107 13.874 20.278 1.00 14.21 N ATOM 841 CA ILE A 54 15.269 15.009 19.378 1.00 1.34 C ATOM 842 C ILE A 54 14.033 15.200 18.505 1.00 33.15 C ATOM 843 O ILE A 54 13.572 14.265 17.850 1.00 14.55 O ATOM 844 CB ILE A 54 16.502 14.836 18.471 1.00 33.40 C ATOM 845 CG1 ILE A 54 17.764 14.664 19.318 1.00 13.30 C ATOM 846 CG2 ILE A 54 16.643 16.029 17.538 1.00 63.03 C ATOM 847 CD1 ILE A 54 19.014 14.428 18.499 1.00 4.42 C ATOM 0 H ILE A 54 14.553 13.108 19.895 1.00 14.21 H new ATOM 0 HA ILE A 54 15.408 15.890 20.004 1.00 1.34 H new ATOM 0 HB ILE A 54 16.368 13.939 17.866 1.00 33.40 H new ATOM 0 HG12 ILE A 54 17.904 15.554 19.932 1.00 13.30 H new ATOM 0 HG13 ILE A 54 17.623 13.826 20.000 1.00 13.30 H new ATOM 0 HG21 ILE A 54 17.518 15.893 16.903 1.00 63.03 H new ATOM 0 HG22 ILE A 54 15.752 16.111 16.915 1.00 63.03 H new ATOM 0 HG23 ILE A 54 16.759 16.939 18.126 1.00 63.03 H new ATOM 0 HD11 ILE A 54 19.869 14.315 19.165 1.00 4.42 H new ATOM 0 HD12 ILE A 54 18.894 13.522 17.905 1.00 4.42 H new ATOM 0 HD13 ILE A 54 19.180 15.277 17.836 1.00 4.42 H new ATOM 859 N VAL A 55 13.501 16.418 18.501 1.00 5.15 N ATOM 860 CA VAL A 55 12.319 16.733 17.706 1.00 3.55 C ATOM 861 C VAL A 55 12.579 17.918 16.783 1.00 30.34 C ATOM 862 O VAL A 55 12.997 18.985 17.229 1.00 12.43 O ATOM 863 CB VAL A 55 11.108 17.049 18.603 1.00 73.15 C ATOM 864 CG1 VAL A 55 9.845 17.187 17.767 1.00 10.23 C ATOM 865 CG2 VAL A 55 10.939 15.977 19.668 1.00 20.33 C ATOM 0 H VAL A 55 13.869 17.203 19.039 1.00 5.15 H new ATOM 0 HA VAL A 55 12.096 15.851 17.106 1.00 3.55 H new ATOM 0 HB VAL A 55 11.288 18.000 19.104 1.00 73.15 H new ATOM 0 HG11 VAL A 55 9.000 17.410 18.418 1.00 10.23 H new ATOM 0 HG12 VAL A 55 9.972 17.996 17.047 1.00 10.23 H new ATOM 0 HG13 VAL A 55 9.657 16.254 17.235 1.00 10.23 H new ATOM 0 HG21 VAL A 55 10.078 16.217 20.292 1.00 20.33 H new ATOM 0 HG22 VAL A 55 10.782 15.010 19.190 1.00 20.33 H new ATOM 0 HG23 VAL A 55 11.835 15.934 20.287 1.00 20.33 H new ATOM 875 N MET A 56 12.326 17.722 15.493 1.00 25.14 N ATOM 876 CA MET A 56 12.529 18.775 14.506 1.00 44.43 C ATOM 877 C MET A 56 11.365 18.833 13.522 1.00 11.12 C ATOM 878 O MET A 56 10.666 17.840 13.316 1.00 64.54 O ATOM 879 CB MET A 56 13.839 18.548 13.750 1.00 43.42 C ATOM 880 CG MET A 56 13.973 17.148 13.170 1.00 73.05 C ATOM 881 SD MET A 56 14.820 16.013 14.286 1.00 44.43 S ATOM 882 CE MET A 56 16.487 16.078 13.632 1.00 63.13 C ATOM 0 H MET A 56 11.980 16.843 15.107 1.00 25.14 H new ATOM 0 HA MET A 56 12.581 19.727 15.034 1.00 44.43 H new ATOM 0 HB2 MET A 56 13.913 19.276 12.942 1.00 43.42 H new ATOM 0 HB3 MET A 56 14.675 18.734 14.424 1.00 43.42 H new ATOM 0 HG2 MET A 56 12.981 16.756 12.943 1.00 73.05 H new ATOM 0 HG3 MET A 56 14.518 17.200 12.228 1.00 73.05 H new ATOM 0 HE1 MET A 56 17.082 15.277 14.072 1.00 63.13 H new ATOM 0 HE2 MET A 56 16.458 15.956 12.549 1.00 63.13 H new ATOM 0 HE3 MET A 56 16.937 17.040 13.877 1.00 63.13 H new ATOM 892 N ALA A 57 11.161 19.999 12.920 1.00 12.31 N ATOM 893 CA ALA A 57 10.083 20.185 11.957 1.00 35.34 C ATOM 894 C ALA A 57 10.502 19.721 10.567 1.00 42.21 C ATOM 895 O ALA A 57 11.602 20.024 10.107 1.00 43.33 O ATOM 896 CB ALA A 57 9.651 21.643 11.923 1.00 43.20 C ATOM 0 H ALA A 57 11.729 20.831 13.082 1.00 12.31 H new ATOM 0 HA ALA A 57 9.237 19.575 12.274 1.00 35.34 H new ATOM 0 HB1 ALA A 57 8.845 21.767 11.199 1.00 43.20 H new ATOM 0 HB2 ALA A 57 9.301 21.942 12.911 1.00 43.20 H new ATOM 0 HB3 ALA A 57 10.497 22.267 11.634 1.00 43.20 H new ATOM 902 N ALA A 58 9.618 18.986 9.901 1.00 11.24 N ATOM 903 CA ALA A 58 9.896 18.482 8.563 1.00 5.34 C ATOM 904 C ALA A 58 10.261 19.618 7.613 1.00 13.23 C ATOM 905 O ALA A 58 10.961 19.411 6.622 1.00 23.14 O ATOM 906 CB ALA A 58 8.698 17.710 8.029 1.00 71.21 C ATOM 0 H ALA A 58 8.702 18.726 10.267 1.00 11.24 H new ATOM 0 HA ALA A 58 10.750 17.807 8.627 1.00 5.34 H new ATOM 0 HB1 ALA A 58 8.921 17.339 7.028 1.00 71.21 H new ATOM 0 HB2 ALA A 58 8.484 16.869 8.688 1.00 71.21 H new ATOM 0 HB3 ALA A 58 7.830 18.368 7.987 1.00 71.21 H new ATOM 912 N ASP A 59 9.783 20.818 7.924 1.00 44.23 N ATOM 913 CA ASP A 59 10.059 21.988 7.098 1.00 5.22 C ATOM 914 C ASP A 59 10.744 23.079 7.914 1.00 74.43 C ATOM 915 O ASP A 59 10.512 24.268 7.697 1.00 54.31 O ATOM 916 CB ASP A 59 8.764 22.526 6.488 1.00 1.11 C ATOM 917 CG ASP A 59 9.011 23.360 5.247 1.00 63.40 C ATOM 918 OD1 ASP A 59 9.078 22.777 4.143 1.00 33.31 O ATOM 919 OD2 ASP A 59 9.136 24.596 5.376 1.00 14.33 O ATOM 0 H ASP A 59 9.203 21.006 8.742 1.00 44.23 H new ATOM 0 HA ASP A 59 10.730 21.685 6.294 1.00 5.22 H new ATOM 0 HB2 ASP A 59 8.110 21.691 6.237 1.00 1.11 H new ATOM 0 HB3 ASP A 59 8.240 23.129 7.229 1.00 1.11 H new ATOM 924 N ALA A 60 11.587 22.667 8.854 1.00 13.23 N ATOM 925 CA ALA A 60 12.306 23.609 9.703 1.00 2.12 C ATOM 926 C ALA A 60 13.699 23.892 9.150 1.00 73.15 C ATOM 927 O ALA A 60 14.440 22.971 8.808 1.00 71.34 O ATOM 928 CB ALA A 60 12.399 23.075 11.125 1.00 61.52 C ATOM 0 H ALA A 60 11.789 21.686 9.047 1.00 13.23 H new ATOM 0 HA ALA A 60 11.750 24.547 9.715 1.00 2.12 H new ATOM 0 HB1 ALA A 60 12.938 23.789 11.747 1.00 61.52 H new ATOM 0 HB2 ALA A 60 11.396 22.930 11.526 1.00 61.52 H new ATOM 0 HB3 ALA A 60 12.930 22.123 11.122 1.00 61.52 H new ATOM 934 N GLU A 61 14.048 25.173 9.066 1.00 22.21 N ATOM 935 CA GLU A 61 15.352 25.577 8.553 1.00 12.05 C ATOM 936 C GLU A 61 16.115 26.395 9.591 1.00 12.33 C ATOM 937 O GLU A 61 15.542 26.933 10.539 1.00 42.30 O ATOM 938 CB GLU A 61 15.190 26.388 7.267 1.00 0.10 C ATOM 939 CG GLU A 61 15.341 25.560 6.001 1.00 15.02 C ATOM 940 CD GLU A 61 14.539 26.117 4.842 1.00 24.04 C ATOM 941 OE1 GLU A 61 13.314 26.299 4.999 1.00 14.31 O ATOM 942 OE2 GLU A 61 15.138 26.371 3.775 1.00 14.05 O ATOM 0 H GLU A 61 13.446 25.947 9.346 1.00 22.21 H new ATOM 0 HA GLU A 61 15.924 24.675 8.335 1.00 12.05 H new ATOM 0 HB2 GLU A 61 14.208 26.860 7.267 1.00 0.10 H new ATOM 0 HB3 GLU A 61 15.929 27.189 7.257 1.00 0.10 H new ATOM 0 HG2 GLU A 61 16.394 25.517 5.722 1.00 15.02 H new ATOM 0 HG3 GLU A 61 15.022 24.537 6.200 1.00 15.02 H new ATOM 949 N PRO A 62 17.441 26.490 9.411 1.00 44.41 N ATOM 950 CA PRO A 62 18.135 25.852 8.287 1.00 34.03 C ATOM 951 C PRO A 62 18.162 24.332 8.410 1.00 53.12 C ATOM 952 O PRO A 62 18.432 23.791 9.484 1.00 20.45 O ATOM 953 CB PRO A 62 19.553 26.421 8.378 1.00 43.33 C ATOM 954 CG PRO A 62 19.723 26.791 9.811 1.00 60.41 C ATOM 955 CD PRO A 62 18.365 27.226 10.290 1.00 64.10 C ATOM 0 HA PRO A 62 17.641 26.051 7.336 1.00 34.03 H new ATOM 0 HB2 PRO A 62 20.295 25.685 8.069 1.00 43.33 H new ATOM 0 HB3 PRO A 62 19.674 27.288 7.729 1.00 43.33 H new ATOM 0 HG2 PRO A 62 20.089 25.944 10.392 1.00 60.41 H new ATOM 0 HG3 PRO A 62 20.452 27.594 9.923 1.00 60.41 H new ATOM 0 HD2 PRO A 62 18.209 26.973 11.339 1.00 64.10 H new ATOM 0 HD3 PRO A 62 18.233 28.304 10.199 1.00 64.10 H new ATOM 963 N LEU A 63 17.882 23.648 7.306 1.00 71.04 N ATOM 964 CA LEU A 63 17.875 22.190 7.291 1.00 23.22 C ATOM 965 C LEU A 63 19.297 21.639 7.254 1.00 44.21 C ATOM 966 O LEU A 63 19.569 20.563 7.784 1.00 3.03 O ATOM 967 CB LEU A 63 17.086 21.678 6.084 1.00 14.25 C ATOM 968 CG LEU A 63 15.600 21.405 6.321 1.00 61.11 C ATOM 969 CD1 LEU A 63 14.907 21.054 5.014 1.00 30.32 C ATOM 970 CD2 LEU A 63 15.418 20.289 7.340 1.00 41.13 C ATOM 0 H LEU A 63 17.657 24.080 6.410 1.00 71.04 H new ATOM 0 HA LEU A 63 17.395 21.843 8.206 1.00 23.22 H new ATOM 0 HB2 LEU A 63 17.177 22.408 5.279 1.00 14.25 H new ATOM 0 HB3 LEU A 63 17.553 20.757 5.734 1.00 14.25 H new ATOM 0 HG LEU A 63 15.143 22.311 6.719 1.00 61.11 H new ATOM 0 HD11 LEU A 63 13.851 20.863 5.202 1.00 30.32 H new ATOM 0 HD12 LEU A 63 15.007 21.884 4.315 1.00 30.32 H new ATOM 0 HD13 LEU A 63 15.366 20.163 4.587 1.00 30.32 H new ATOM 0 HD21 LEU A 63 14.354 20.109 7.496 1.00 41.13 H new ATOM 0 HD22 LEU A 63 15.890 19.379 6.971 1.00 41.13 H new ATOM 0 HD23 LEU A 63 15.879 20.580 8.284 1.00 41.13 H new ATOM 982 N GLU A 64 20.200 22.386 6.626 1.00 64.33 N ATOM 983 CA GLU A 64 21.594 21.971 6.522 1.00 65.41 C ATOM 984 C GLU A 64 22.167 21.640 7.896 1.00 61.24 C ATOM 985 O GLU A 64 23.063 20.805 8.022 1.00 3.24 O ATOM 986 CB GLU A 64 22.427 23.071 5.860 1.00 41.21 C ATOM 987 CG GLU A 64 22.544 24.334 6.697 1.00 15.34 C ATOM 988 CD GLU A 64 22.584 25.592 5.853 1.00 13.40 C ATOM 989 OE1 GLU A 64 23.255 25.581 4.801 1.00 3.50 O ATOM 990 OE2 GLU A 64 21.943 26.589 6.246 1.00 23.32 O ATOM 0 H GLU A 64 19.991 23.280 6.182 1.00 64.33 H new ATOM 0 HA GLU A 64 21.635 21.073 5.906 1.00 65.41 H new ATOM 0 HB2 GLU A 64 23.426 22.686 5.657 1.00 41.21 H new ATOM 0 HB3 GLU A 64 21.981 23.323 4.898 1.00 41.21 H new ATOM 0 HG2 GLU A 64 21.700 24.389 7.384 1.00 15.34 H new ATOM 0 HG3 GLU A 64 23.447 24.280 7.305 1.00 15.34 H new ATOM 997 N ILE A 65 21.645 22.302 8.923 1.00 72.04 N ATOM 998 CA ILE A 65 22.104 22.078 10.289 1.00 64.05 C ATOM 999 C ILE A 65 21.399 20.882 10.916 1.00 34.54 C ATOM 1000 O ILE A 65 21.950 20.211 11.790 1.00 72.13 O ATOM 1001 CB ILE A 65 21.872 23.319 11.171 1.00 33.30 C ATOM 1002 CG1 ILE A 65 22.622 24.525 10.603 1.00 24.12 C ATOM 1003 CG2 ILE A 65 22.311 23.041 12.601 1.00 71.42 C ATOM 1004 CD1 ILE A 65 22.439 25.789 11.414 1.00 23.15 C ATOM 0 H ILE A 65 20.904 22.998 8.836 1.00 72.04 H new ATOM 0 HA ILE A 65 23.174 21.877 10.234 1.00 64.05 H new ATOM 0 HB ILE A 65 20.806 23.548 11.176 1.00 33.30 H new ATOM 0 HG12 ILE A 65 23.685 24.289 10.549 1.00 24.12 H new ATOM 0 HG13 ILE A 65 22.283 24.706 9.583 1.00 24.12 H new ATOM 0 HG21 ILE A 65 22.141 23.927 13.213 1.00 71.42 H new ATOM 0 HG22 ILE A 65 21.735 22.207 13.003 1.00 71.42 H new ATOM 0 HG23 ILE A 65 23.371 22.789 12.614 1.00 71.42 H new ATOM 0 HD11 ILE A 65 22.999 26.602 10.952 1.00 23.15 H new ATOM 0 HD12 ILE A 65 21.381 26.050 11.447 1.00 23.15 H new ATOM 0 HD13 ILE A 65 22.805 25.627 12.428 1.00 23.15 H new ATOM 1016 N ILE A 66 20.177 20.618 10.464 1.00 13.51 N ATOM 1017 CA ILE A 66 19.398 19.500 10.980 1.00 70.41 C ATOM 1018 C ILE A 66 20.023 18.166 10.588 1.00 41.42 C ATOM 1019 O ILE A 66 19.818 17.151 11.255 1.00 51.23 O ATOM 1020 CB ILE A 66 17.945 19.543 10.469 1.00 30.23 C ATOM 1021 CG1 ILE A 66 17.338 20.928 10.708 1.00 1.44 C ATOM 1022 CG2 ILE A 66 17.112 18.468 11.150 1.00 21.41 C ATOM 1023 CD1 ILE A 66 17.196 21.280 12.172 1.00 44.40 C ATOM 0 H ILE A 66 19.706 21.163 9.742 1.00 13.51 H new ATOM 0 HA ILE A 66 19.396 19.592 12.066 1.00 70.41 H new ATOM 0 HB ILE A 66 17.946 19.348 9.397 1.00 30.23 H new ATOM 0 HG12 ILE A 66 17.961 21.678 10.221 1.00 1.44 H new ATOM 0 HG13 ILE A 66 16.357 20.973 10.235 1.00 1.44 H new ATOM 0 HG21 ILE A 66 16.088 18.511 10.779 1.00 21.41 H new ATOM 0 HG22 ILE A 66 17.536 17.487 10.933 1.00 21.41 H new ATOM 0 HG23 ILE A 66 17.114 18.634 12.227 1.00 21.41 H new ATOM 0 HD11 ILE A 66 16.760 22.274 12.266 1.00 44.40 H new ATOM 0 HD12 ILE A 66 16.549 20.552 12.660 1.00 44.40 H new ATOM 0 HD13 ILE A 66 18.177 21.268 12.646 1.00 44.40 H new ATOM 1035 N LEU A 67 20.788 18.174 9.501 1.00 55.22 N ATOM 1036 CA LEU A 67 21.447 16.964 9.021 1.00 65.14 C ATOM 1037 C LEU A 67 22.866 16.862 9.571 1.00 32.15 C ATOM 1038 O LEU A 67 23.516 15.824 9.450 1.00 2.22 O ATOM 1039 CB LEU A 67 21.478 16.952 7.491 1.00 14.21 C ATOM 1040 CG LEU A 67 20.738 15.797 6.815 1.00 71.45 C ATOM 1041 CD1 LEU A 67 19.843 16.319 5.701 1.00 3.03 C ATOM 1042 CD2 LEU A 67 21.725 14.774 6.273 1.00 15.21 C ATOM 0 H LEU A 67 20.967 19.004 8.936 1.00 55.22 H new ATOM 0 HA LEU A 67 20.878 16.104 9.375 1.00 65.14 H new ATOM 0 HB2 LEU A 67 21.054 17.889 7.131 1.00 14.21 H new ATOM 0 HB3 LEU A 67 22.519 16.929 7.169 1.00 14.21 H new ATOM 0 HG LEU A 67 20.111 15.306 7.560 1.00 71.45 H new ATOM 0 HD11 LEU A 67 19.324 15.484 5.230 1.00 3.03 H new ATOM 0 HD12 LEU A 67 19.112 17.013 6.116 1.00 3.03 H new ATOM 0 HD13 LEU A 67 20.451 16.834 4.957 1.00 3.03 H new ATOM 0 HD21 LEU A 67 21.180 13.960 5.796 1.00 15.21 H new ATOM 0 HD22 LEU A 67 22.378 15.251 5.542 1.00 15.21 H new ATOM 0 HD23 LEU A 67 22.325 14.378 7.092 1.00 15.21 H new ATOM 1054 N HIS A 68 23.340 17.946 10.178 1.00 14.13 N ATOM 1055 CA HIS A 68 24.681 17.976 10.750 1.00 43.31 C ATOM 1056 C HIS A 68 24.734 17.187 12.055 1.00 71.53 C ATOM 1057 O HIS A 68 25.762 16.603 12.399 1.00 2.35 O ATOM 1058 CB HIS A 68 25.121 19.420 10.995 1.00 34.45 C ATOM 1059 CG HIS A 68 26.609 19.596 11.027 1.00 31.43 C ATOM 1060 ND1 HIS A 68 27.300 19.952 12.165 1.00 11.03 N ATOM 1061 CD2 HIS A 68 27.537 19.461 10.052 1.00 24.11 C ATOM 1062 CE1 HIS A 68 28.589 20.030 11.888 1.00 61.21 C ATOM 1063 NE2 HIS A 68 28.759 19.736 10.611 1.00 14.02 N ATOM 0 H HIS A 68 22.816 18.814 10.286 1.00 14.13 H new ATOM 0 HA HIS A 68 25.363 17.512 10.038 1.00 43.31 H new ATOM 0 HB2 HIS A 68 24.705 20.055 10.213 1.00 34.45 H new ATOM 0 HB3 HIS A 68 24.702 19.763 11.941 1.00 34.45 H new ATOM 0 HD2 HIS A 68 27.350 19.187 9.024 1.00 24.11 H new ATOM 0 HE1 HIS A 68 29.371 20.290 12.586 1.00 61.21 H new ATOM 0 HE2 HIS A 68 29.653 19.717 10.121 1.00 14.02 H new ATOM 1071 N LEU A 69 23.620 17.176 12.779 1.00 73.55 N ATOM 1072 CA LEU A 69 23.539 16.460 14.047 1.00 11.32 C ATOM 1073 C LEU A 69 24.002 15.015 13.888 1.00 64.32 C ATOM 1074 O LEU A 69 24.954 14.569 14.527 1.00 4.32 O ATOM 1075 CB LEU A 69 22.107 16.492 14.583 1.00 34.15 C ATOM 1076 CG LEU A 69 21.823 17.519 15.680 1.00 13.21 C ATOM 1077 CD1 LEU A 69 20.467 18.173 15.462 1.00 14.30 C ATOM 1078 CD2 LEU A 69 21.887 16.863 17.053 1.00 25.52 C ATOM 0 H LEU A 69 22.761 17.655 12.509 1.00 73.55 H new ATOM 0 HA LEU A 69 24.198 16.957 14.759 1.00 11.32 H new ATOM 0 HB2 LEU A 69 21.433 16.685 13.749 1.00 34.15 H new ATOM 0 HB3 LEU A 69 21.862 15.502 14.968 1.00 34.15 H new ATOM 0 HG LEU A 69 22.588 18.294 15.633 1.00 13.21 H new ATOM 0 HD11 LEU A 69 20.283 18.901 16.252 1.00 14.30 H new ATOM 0 HD12 LEU A 69 20.457 18.677 14.495 1.00 14.30 H new ATOM 0 HD13 LEU A 69 19.688 17.411 15.482 1.00 14.30 H new ATOM 0 HD21 LEU A 69 21.683 17.608 17.822 1.00 25.52 H new ATOM 0 HD22 LEU A 69 21.144 16.068 17.111 1.00 25.52 H new ATOM 0 HD23 LEU A 69 22.881 16.443 17.210 1.00 25.52 H new ATOM 1090 N PRO A 70 23.314 14.267 13.012 1.00 13.44 N ATOM 1091 CA PRO A 70 23.639 12.863 12.745 1.00 15.43 C ATOM 1092 C PRO A 70 24.957 12.704 11.995 1.00 71.44 C ATOM 1093 O PRO A 70 25.136 13.262 10.911 1.00 10.51 O ATOM 1094 CB PRO A 70 22.471 12.387 11.879 1.00 33.23 C ATOM 1095 CG PRO A 70 21.956 13.623 11.225 1.00 1.13 C ATOM 1096 CD PRO A 70 22.168 14.735 12.215 1.00 5.22 C ATOM 0 HA PRO A 70 23.766 12.293 13.665 1.00 15.43 H new ATOM 0 HB2 PRO A 70 22.798 11.655 11.140 1.00 33.23 H new ATOM 0 HB3 PRO A 70 21.700 11.908 12.483 1.00 33.23 H new ATOM 0 HG2 PRO A 70 22.487 13.822 10.294 1.00 1.13 H new ATOM 0 HG3 PRO A 70 20.900 13.520 10.973 1.00 1.13 H new ATOM 0 HD2 PRO A 70 22.384 15.681 11.717 1.00 5.22 H new ATOM 0 HD3 PRO A 70 21.286 14.895 12.835 1.00 5.22 H new ATOM 1232 N PRO A 79 18.909 9.967 17.739 1.00 41.22 N ATOM 1233 CA PRO A 79 17.450 10.105 17.777 1.00 22.12 C ATOM 1234 C PRO A 79 16.958 11.287 16.948 1.00 52.42 C ATOM 1235 O PRO A 79 17.624 12.319 16.865 1.00 65.43 O ATOM 1236 CB PRO A 79 17.153 10.331 19.261 1.00 62.15 C ATOM 1237 CG PRO A 79 18.407 10.917 19.813 1.00 74.43 C ATOM 1238 CD PRO A 79 19.532 10.297 19.032 1.00 62.33 C ATOM 0 HA PRO A 79 16.947 9.234 17.356 1.00 22.12 H new ATOM 0 HB2 PRO A 79 16.307 11.005 19.397 1.00 62.15 H new ATOM 0 HB3 PRO A 79 16.899 9.396 19.761 1.00 62.15 H new ATOM 0 HG2 PRO A 79 18.410 12.002 19.708 1.00 74.43 H new ATOM 0 HG3 PRO A 79 18.504 10.700 20.877 1.00 74.43 H new ATOM 0 HD2 PRO A 79 20.366 10.988 18.911 1.00 62.33 H new ATOM 0 HD3 PRO A 79 19.923 9.409 19.528 1.00 62.33 H new ATOM 1246 N TYR A 80 15.788 11.129 16.339 1.00 44.12 N ATOM 1247 CA TYR A 80 15.208 12.184 15.515 1.00 3.03 C ATOM 1248 C TYR A 80 13.805 11.803 15.052 1.00 2.00 C ATOM 1249 O TYR A 80 13.549 10.655 14.686 1.00 40.40 O ATOM 1250 CB TYR A 80 16.099 12.462 14.303 1.00 14.12 C ATOM 1251 CG TYR A 80 16.009 11.402 13.229 1.00 44.12 C ATOM 1252 CD1 TYR A 80 15.045 11.476 12.231 1.00 30.24 C ATOM 1253 CD2 TYR A 80 16.889 10.327 13.211 1.00 4.21 C ATOM 1254 CE1 TYR A 80 14.959 10.509 11.249 1.00 63.33 C ATOM 1255 CE2 TYR A 80 16.811 9.356 12.230 1.00 51.45 C ATOM 1256 CZ TYR A 80 15.844 9.451 11.252 1.00 55.04 C ATOM 1257 OH TYR A 80 15.762 8.487 10.274 1.00 1.21 O ATOM 0 H TYR A 80 15.223 10.282 16.400 1.00 44.12 H new ATOM 0 HA TYR A 80 15.139 13.087 16.121 1.00 3.03 H new ATOM 0 HB2 TYR A 80 15.824 13.426 13.874 1.00 14.12 H new ATOM 0 HB3 TYR A 80 17.134 12.544 14.635 1.00 14.12 H new ATOM 0 HD1 TYR A 80 14.351 12.304 12.223 1.00 30.24 H new ATOM 0 HD2 TYR A 80 17.647 10.249 13.976 1.00 4.21 H new ATOM 0 HE1 TYR A 80 14.202 10.581 10.482 1.00 63.33 H new ATOM 0 HE2 TYR A 80 17.504 8.528 12.230 1.00 51.45 H new ATOM 0 HH TYR A 80 16.458 7.813 10.420 1.00 1.21 H new ATOM 1267 N VAL A 81 12.899 12.775 15.068 1.00 15.43 N ATOM 1268 CA VAL A 81 11.522 12.544 14.649 1.00 62.11 C ATOM 1269 C VAL A 81 10.906 13.811 14.065 1.00 55.01 C ATOM 1270 O VAL A 81 11.053 14.899 14.621 1.00 51.11 O ATOM 1271 CB VAL A 81 10.652 12.057 15.822 1.00 73.41 C ATOM 1272 CG1 VAL A 81 9.211 11.864 15.376 1.00 64.00 C ATOM 1273 CG2 VAL A 81 11.215 10.770 16.405 1.00 2.00 C ATOM 0 H VAL A 81 13.094 13.731 15.367 1.00 15.43 H new ATOM 0 HA VAL A 81 11.550 11.770 13.882 1.00 62.11 H new ATOM 0 HB VAL A 81 10.666 12.819 16.601 1.00 73.41 H new ATOM 0 HG11 VAL A 81 8.612 11.520 16.219 1.00 64.00 H new ATOM 0 HG12 VAL A 81 8.813 12.811 15.011 1.00 64.00 H new ATOM 0 HG13 VAL A 81 9.173 11.123 14.578 1.00 64.00 H new ATOM 0 HG21 VAL A 81 10.587 10.441 17.233 1.00 2.00 H new ATOM 0 HG22 VAL A 81 11.234 9.999 15.635 1.00 2.00 H new ATOM 0 HG23 VAL A 81 12.228 10.947 16.766 1.00 2.00 H new ATOM 1283 N PHE A 82 10.214 13.661 12.940 1.00 42.35 N ATOM 1284 CA PHE A 82 9.575 14.793 12.280 1.00 63.34 C ATOM 1285 C PHE A 82 8.119 14.927 12.718 1.00 45.23 C ATOM 1286 O PHE A 82 7.439 13.932 12.963 1.00 64.31 O ATOM 1287 CB PHE A 82 9.649 14.633 10.760 1.00 40.40 C ATOM 1288 CG PHE A 82 11.054 14.600 10.229 1.00 42.10 C ATOM 1289 CD1 PHE A 82 11.971 15.571 10.598 1.00 50.31 C ATOM 1290 CD2 PHE A 82 11.458 13.599 9.360 1.00 61.13 C ATOM 1291 CE1 PHE A 82 13.264 15.544 10.110 1.00 31.42 C ATOM 1292 CE2 PHE A 82 12.749 13.567 8.868 1.00 13.21 C ATOM 1293 CZ PHE A 82 13.654 14.541 9.245 1.00 14.34 C ATOM 0 H PHE A 82 10.082 12.767 12.467 1.00 42.35 H new ATOM 0 HA PHE A 82 10.108 15.698 12.570 1.00 63.34 H new ATOM 0 HB2 PHE A 82 9.139 13.713 10.474 1.00 40.40 H new ATOM 0 HB3 PHE A 82 9.110 15.455 10.289 1.00 40.40 H new ATOM 0 HD1 PHE A 82 11.672 16.358 11.275 1.00 50.31 H new ATOM 0 HD2 PHE A 82 10.755 12.834 9.064 1.00 61.13 H new ATOM 0 HE1 PHE A 82 13.969 16.307 10.405 1.00 31.42 H new ATOM 0 HE2 PHE A 82 13.050 12.782 8.190 1.00 13.21 H new ATOM 0 HZ PHE A 82 14.664 14.518 8.864 1.00 14.34 H new ATOM 1303 N VAL A 83 7.649 16.167 12.814 1.00 34.53 N ATOM 1304 CA VAL A 83 6.275 16.433 13.221 1.00 34.51 C ATOM 1305 C VAL A 83 5.618 17.458 12.304 1.00 52.42 C ATOM 1306 O VAL A 83 6.255 18.420 11.874 1.00 53.31 O ATOM 1307 CB VAL A 83 6.208 16.943 14.673 1.00 11.30 C ATOM 1308 CG1 VAL A 83 6.795 15.915 15.628 1.00 23.02 C ATOM 1309 CG2 VAL A 83 6.931 18.276 14.803 1.00 32.11 C ATOM 0 H VAL A 83 8.200 17.002 12.615 1.00 34.53 H new ATOM 0 HA VAL A 83 5.736 15.488 13.150 1.00 34.51 H new ATOM 0 HB VAL A 83 5.162 17.095 14.938 1.00 11.30 H new ATOM 0 HG11 VAL A 83 6.739 16.293 16.649 1.00 23.02 H new ATOM 0 HG12 VAL A 83 6.231 14.985 15.554 1.00 23.02 H new ATOM 0 HG13 VAL A 83 7.837 15.729 15.367 1.00 23.02 H new ATOM 0 HG21 VAL A 83 6.874 18.622 15.835 1.00 32.11 H new ATOM 0 HG22 VAL A 83 7.976 18.152 14.519 1.00 32.11 H new ATOM 0 HG23 VAL A 83 6.462 19.010 14.148 1.00 32.11 H new ATOM 1319 N ARG A 84 4.340 17.247 12.009 1.00 64.13 N ATOM 1320 CA ARG A 84 3.596 18.152 11.141 1.00 62.22 C ATOM 1321 C ARG A 84 2.979 19.292 11.946 1.00 40.05 C ATOM 1322 O ARG A 84 1.782 19.561 11.843 1.00 11.34 O ATOM 1323 CB ARG A 84 2.501 17.391 10.392 1.00 73.11 C ATOM 1324 CG ARG A 84 2.193 17.961 9.017 1.00 74.35 C ATOM 1325 CD ARG A 84 0.855 18.685 9.002 1.00 41.22 C ATOM 1326 NE ARG A 84 0.249 18.685 7.672 1.00 32.31 N ATOM 1327 CZ ARG A 84 -0.422 17.655 7.171 1.00 11.24 C ATOM 1328 NH1 ARG A 84 -0.573 16.547 7.884 1.00 11.34 N ATOM 1329 NH2 ARG A 84 -0.944 17.731 5.953 1.00 33.44 N ATOM 0 H ARG A 84 3.798 16.457 12.358 1.00 64.13 H new ATOM 0 HA ARG A 84 4.293 18.576 10.418 1.00 62.22 H new ATOM 0 HB2 ARG A 84 2.803 16.349 10.285 1.00 73.11 H new ATOM 0 HB3 ARG A 84 1.590 17.399 10.991 1.00 73.11 H new ATOM 0 HG2 ARG A 84 2.984 18.650 8.722 1.00 74.35 H new ATOM 0 HG3 ARG A 84 2.181 17.156 8.282 1.00 74.35 H new ATOM 0 HD2 ARG A 84 0.177 18.208 9.710 1.00 41.22 H new ATOM 0 HD3 ARG A 84 0.995 19.713 9.337 1.00 41.22 H new ATOM 0 HE ARG A 84 0.347 19.522 7.097 1.00 32.31 H new ATOM 0 HH11 ARG A 84 -0.173 16.485 8.820 1.00 11.34 H new ATOM 0 HH12 ARG A 84 -1.089 15.757 7.496 1.00 11.34 H new ATOM 0 HH21 ARG A 84 -0.830 18.581 5.401 1.00 33.44 H new ATOM 0 HH22 ARG A 84 -1.459 16.939 5.569 1.00 33.44 H new ATOM 1343 N SER A 85 3.805 19.959 12.746 1.00 62.10 N ATOM 1344 CA SER A 85 3.340 21.068 13.572 1.00 24.44 C ATOM 1345 C SER A 85 4.513 21.775 14.242 1.00 61.13 C ATOM 1346 O SER A 85 5.238 21.182 15.040 1.00 70.11 O ATOM 1347 CB SER A 85 2.360 20.563 14.634 1.00 62.44 C ATOM 1348 OG SER A 85 2.673 19.239 15.029 1.00 74.54 O ATOM 0 H SER A 85 4.799 19.751 12.840 1.00 62.10 H new ATOM 0 HA SER A 85 2.829 21.782 12.926 1.00 24.44 H new ATOM 0 HB2 SER A 85 2.389 21.221 15.502 1.00 62.44 H new ATOM 0 HB3 SER A 85 1.344 20.598 14.241 1.00 62.44 H new ATOM 0 HG SER A 85 2.033 18.941 15.709 1.00 74.54 H new ATOM 1354 N LYS A 86 4.694 23.050 13.910 1.00 4.44 N ATOM 1355 CA LYS A 86 5.778 23.842 14.479 1.00 63.14 C ATOM 1356 C LYS A 86 5.272 24.717 15.620 1.00 35.33 C ATOM 1357 O LYS A 86 5.947 24.878 16.638 1.00 64.51 O ATOM 1358 CB LYS A 86 6.419 24.716 13.399 1.00 3.42 C ATOM 1359 CG LYS A 86 5.454 25.697 12.757 1.00 32.23 C ATOM 1360 CD LYS A 86 6.080 26.397 11.563 1.00 40.50 C ATOM 1361 CE LYS A 86 5.545 25.845 10.250 1.00 52.32 C ATOM 1362 NZ LYS A 86 6.628 25.650 9.247 1.00 74.14 N ATOM 0 H LYS A 86 4.104 23.556 13.250 1.00 4.44 H new ATOM 0 HA LYS A 86 6.526 23.156 14.875 1.00 63.14 H new ATOM 0 HB2 LYS A 86 7.249 25.270 13.837 1.00 3.42 H new ATOM 0 HB3 LYS A 86 6.839 24.073 12.625 1.00 3.42 H new ATOM 0 HG2 LYS A 86 4.555 25.169 12.440 1.00 32.23 H new ATOM 0 HG3 LYS A 86 5.145 26.439 13.493 1.00 32.23 H new ATOM 0 HD2 LYS A 86 5.877 27.466 11.619 1.00 40.50 H new ATOM 0 HD3 LYS A 86 7.163 26.276 11.596 1.00 40.50 H new ATOM 0 HE2 LYS A 86 5.044 24.894 10.433 1.00 52.32 H new ATOM 0 HE3 LYS A 86 4.796 26.527 9.848 1.00 52.32 H new ATOM 0 HZ1 LYS A 86 6.222 25.273 8.367 1.00 74.14 H new ATOM 0 HZ2 LYS A 86 7.089 26.562 9.053 1.00 74.14 H new ATOM 0 HZ3 LYS A 86 7.330 24.979 9.620 1.00 74.14 H new ATOM 1376 N GLN A 87 4.079 25.277 15.446 1.00 52.45 N ATOM 1377 CA GLN A 87 3.483 26.135 16.464 1.00 62.32 C ATOM 1378 C GLN A 87 3.426 25.423 17.811 1.00 24.52 C ATOM 1379 O GLN A 87 3.540 26.051 18.862 1.00 42.55 O ATOM 1380 CB GLN A 87 2.077 26.564 16.040 1.00 42.51 C ATOM 1381 CG GLN A 87 1.933 28.064 15.841 1.00 72.20 C ATOM 1382 CD GLN A 87 0.900 28.417 14.790 1.00 65.35 C ATOM 1383 OE1 GLN A 87 1.188 28.410 13.592 1.00 35.23 O ATOM 1384 NE2 GLN A 87 -0.313 28.729 15.232 1.00 12.14 N ATOM 0 H GLN A 87 3.507 25.152 14.611 1.00 52.45 H new ATOM 0 HA GLN A 87 4.109 27.021 16.569 1.00 62.32 H new ATOM 0 HB2 GLN A 87 1.816 26.056 15.112 1.00 42.51 H new ATOM 0 HB3 GLN A 87 1.363 26.236 16.795 1.00 42.51 H new ATOM 0 HG2 GLN A 87 1.655 28.527 16.788 1.00 72.20 H new ATOM 0 HG3 GLN A 87 2.897 28.482 15.552 1.00 72.20 H new ATOM 0 HE21 GLN A 87 -0.508 28.722 16.233 1.00 12.14 H new ATOM 0 HE22 GLN A 87 -1.049 28.975 14.570 1.00 12.14 H new ATOM 1393 N ALA A 88 3.246 24.106 17.771 1.00 30.52 N ATOM 1394 CA ALA A 88 3.175 23.308 18.988 1.00 72.20 C ATOM 1395 C ALA A 88 4.562 23.083 19.580 1.00 42.24 C ATOM 1396 O ALA A 88 4.743 23.125 20.797 1.00 11.32 O ATOM 1397 CB ALA A 88 2.497 21.975 18.707 1.00 0.13 C ATOM 0 H ALA A 88 3.147 23.570 16.909 1.00 30.52 H new ATOM 0 HA ALA A 88 2.582 23.858 19.718 1.00 72.20 H new ATOM 0 HB1 ALA A 88 2.451 21.389 19.625 1.00 0.13 H new ATOM 0 HB2 ALA A 88 1.487 22.151 18.338 1.00 0.13 H new ATOM 0 HB3 ALA A 88 3.067 21.428 17.956 1.00 0.13 H new ATOM 1403 N LEU A 89 5.539 22.845 18.711 1.00 32.02 N ATOM 1404 CA LEU A 89 6.911 22.613 19.148 1.00 21.02 C ATOM 1405 C LEU A 89 7.504 23.871 19.773 1.00 33.32 C ATOM 1406 O LEU A 89 8.398 23.796 20.615 1.00 60.32 O ATOM 1407 CB LEU A 89 7.773 22.162 17.968 1.00 4.40 C ATOM 1408 CG LEU A 89 8.982 21.291 18.313 1.00 30.42 C ATOM 1409 CD1 LEU A 89 8.531 19.923 18.803 1.00 24.34 C ATOM 1410 CD2 LEU A 89 9.900 21.152 17.108 1.00 13.21 C ATOM 0 H LEU A 89 5.406 22.808 17.700 1.00 32.02 H new ATOM 0 HA LEU A 89 6.897 21.827 19.903 1.00 21.02 H new ATOM 0 HB2 LEU A 89 7.141 21.611 17.272 1.00 4.40 H new ATOM 0 HB3 LEU A 89 8.128 23.049 17.443 1.00 4.40 H new ATOM 0 HG LEU A 89 9.539 21.776 19.115 1.00 30.42 H new ATOM 0 HD11 LEU A 89 9.404 19.317 19.044 1.00 24.34 H new ATOM 0 HD12 LEU A 89 7.914 20.041 19.694 1.00 24.34 H new ATOM 0 HD13 LEU A 89 7.951 19.430 18.023 1.00 24.34 H new ATOM 0 HD21 LEU A 89 10.755 20.529 17.372 1.00 13.21 H new ATOM 0 HD22 LEU A 89 9.354 20.689 16.286 1.00 13.21 H new ATOM 0 HD23 LEU A 89 10.250 22.138 16.802 1.00 13.21 H new ATOM 1422 N GLY A 90 6.996 25.028 19.359 1.00 44.34 N ATOM 1423 CA GLY A 90 7.485 26.286 19.889 1.00 55.43 C ATOM 1424 C GLY A 90 7.014 26.540 21.308 1.00 24.42 C ATOM 1425 O GLY A 90 7.742 27.110 22.120 1.00 65.03 O ATOM 0 H GLY A 90 6.254 25.116 18.665 1.00 44.34 H new ATOM 0 HA2 GLY A 90 8.575 26.288 19.865 1.00 55.43 H new ATOM 0 HA3 GLY A 90 7.151 27.101 19.247 1.00 55.43 H new ATOM 1429 N ARG A 91 5.790 26.116 21.607 1.00 33.12 N ATOM 1430 CA ARG A 91 5.221 26.302 22.936 1.00 61.51 C ATOM 1431 C ARG A 91 5.634 25.168 23.869 1.00 64.33 C ATOM 1432 O ARG A 91 5.724 25.351 25.082 1.00 61.24 O ATOM 1433 CB ARG A 91 3.694 26.379 22.853 1.00 53.33 C ATOM 1434 CG ARG A 91 3.040 25.071 22.440 1.00 43.02 C ATOM 1435 CD ARG A 91 1.529 25.131 22.595 1.00 74.23 C ATOM 1436 NE ARG A 91 1.098 24.699 23.922 1.00 22.51 N ATOM 1437 CZ ARG A 91 1.029 23.426 24.294 1.00 75.21 C ATOM 1438 NH1 ARG A 91 1.362 22.465 23.444 1.00 13.21 N ATOM 1439 NH2 ARG A 91 0.627 23.112 25.520 1.00 43.13 N ATOM 0 H ARG A 91 5.174 25.642 20.947 1.00 33.12 H new ATOM 0 HA ARG A 91 5.605 27.239 23.340 1.00 61.51 H new ATOM 0 HB2 ARG A 91 3.301 26.682 23.823 1.00 53.33 H new ATOM 0 HB3 ARG A 91 3.416 27.155 22.140 1.00 53.33 H new ATOM 0 HG2 ARG A 91 3.292 24.848 21.403 1.00 43.02 H new ATOM 0 HG3 ARG A 91 3.437 24.257 23.046 1.00 43.02 H new ATOM 0 HD2 ARG A 91 1.186 26.150 22.416 1.00 74.23 H new ATOM 0 HD3 ARG A 91 1.062 24.500 21.839 1.00 74.23 H new ATOM 0 HE ARG A 91 0.836 25.414 24.600 1.00 22.51 H new ATOM 0 HH11 ARG A 91 1.672 22.702 22.502 1.00 13.21 H new ATOM 0 HH12 ARG A 91 1.308 21.488 23.732 1.00 13.21 H new ATOM 0 HH21 ARG A 91 0.371 23.849 26.177 1.00 43.13 H new ATOM 0 HH22 ARG A 91 0.574 22.134 25.805 1.00 43.13 H new ATOM 1453 N ALA A 92 5.883 23.996 23.293 1.00 32.20 N ATOM 1454 CA ALA A 92 6.288 22.833 24.073 1.00 25.13 C ATOM 1455 C ALA A 92 7.662 23.044 24.699 1.00 73.40 C ATOM 1456 O ALA A 92 7.868 22.751 25.878 1.00 72.30 O ATOM 1457 CB ALA A 92 6.290 21.587 23.200 1.00 64.51 C ATOM 0 H ALA A 92 5.811 23.827 22.290 1.00 32.20 H new ATOM 0 HA ALA A 92 5.567 22.698 24.879 1.00 25.13 H new ATOM 0 HB1 ALA A 92 6.594 20.726 23.795 1.00 64.51 H new ATOM 0 HB2 ALA A 92 5.289 21.419 22.804 1.00 64.51 H new ATOM 0 HB3 ALA A 92 6.989 21.722 22.374 1.00 64.51 H new ATOM 1463 N CYS A 93 8.598 23.551 23.905 1.00 35.34 N ATOM 1464 CA CYS A 93 9.953 23.799 24.383 1.00 50.03 C ATOM 1465 C CYS A 93 9.973 24.942 25.392 1.00 52.21 C ATOM 1466 O CYS A 93 10.845 25.005 26.258 1.00 2.52 O ATOM 1467 CB CYS A 93 10.879 24.123 23.209 1.00 34.05 C ATOM 1468 SG CYS A 93 10.492 25.678 22.371 1.00 32.25 S ATOM 0 H CYS A 93 8.444 23.798 22.928 1.00 35.34 H new ATOM 0 HA CYS A 93 10.308 22.895 24.878 1.00 50.03 H new ATOM 0 HB2 CYS A 93 11.906 24.164 23.571 1.00 34.05 H new ATOM 0 HB3 CYS A 93 10.828 23.310 22.485 1.00 34.05 H new ATOM 0 HG CYS A 93 9.227 25.944 22.512 1.00 32.25 H new ATOM 1474 N GLY A 94 9.006 25.847 25.274 1.00 11.21 N ATOM 1475 CA GLY A 94 8.933 26.977 26.181 1.00 34.45 C ATOM 1476 C GLY A 94 9.435 28.260 25.551 1.00 55.22 C ATOM 1477 O GLY A 94 10.296 28.940 26.112 1.00 61.51 O ATOM 0 H GLY A 94 8.272 25.817 24.566 1.00 11.21 H new ATOM 0 HA2 GLY A 94 7.901 27.114 26.503 1.00 34.45 H new ATOM 0 HA3 GLY A 94 9.520 26.761 27.074 1.00 34.45 H new ATOM 1481 N VAL A 95 8.899 28.592 24.381 1.00 40.44 N ATOM 1482 CA VAL A 95 9.300 29.803 23.673 1.00 33.24 C ATOM 1483 C VAL A 95 8.130 30.396 22.895 1.00 54.54 C ATOM 1484 O VAL A 95 7.269 29.670 22.399 1.00 14.42 O ATOM 1485 CB VAL A 95 10.461 29.526 22.701 1.00 61.05 C ATOM 1486 CG1 VAL A 95 10.919 30.815 22.034 1.00 34.03 C ATOM 1487 CG2 VAL A 95 11.615 28.853 23.427 1.00 53.41 C ATOM 0 H VAL A 95 8.187 28.040 23.903 1.00 40.44 H new ATOM 0 HA VAL A 95 9.631 30.517 24.427 1.00 33.24 H new ATOM 0 HB VAL A 95 10.107 28.849 21.924 1.00 61.05 H new ATOM 0 HG11 VAL A 95 11.740 30.599 21.351 1.00 34.03 H new ATOM 0 HG12 VAL A 95 10.089 31.252 21.478 1.00 34.03 H new ATOM 0 HG13 VAL A 95 11.256 31.519 22.795 1.00 34.03 H new ATOM 0 HG21 VAL A 95 12.427 28.665 22.724 1.00 53.41 H new ATOM 0 HG22 VAL A 95 11.971 29.503 24.226 1.00 53.41 H new ATOM 0 HG23 VAL A 95 11.276 27.908 23.852 1.00 53.41 H new ATOM 1497 N SER A 96 8.106 31.722 22.792 1.00 12.42 N ATOM 1498 CA SER A 96 7.041 32.414 22.077 1.00 31.52 C ATOM 1499 C SER A 96 7.353 32.499 20.587 1.00 23.25 C ATOM 1500 O SER A 96 7.346 33.582 20.000 1.00 11.04 O ATOM 1501 CB SER A 96 6.843 33.818 22.650 1.00 44.04 C ATOM 1502 OG SER A 96 5.815 34.510 21.961 1.00 14.53 O ATOM 0 H SER A 96 8.812 32.338 23.195 1.00 12.42 H new ATOM 0 HA SER A 96 6.121 31.844 22.205 1.00 31.52 H new ATOM 0 HB2 SER A 96 6.594 33.750 23.709 1.00 44.04 H new ATOM 0 HB3 SER A 96 7.775 34.379 22.577 1.00 44.04 H new ATOM 0 HG SER A 96 6.049 34.583 21.012 1.00 14.53 H new ATOM 1508 N ARG A 97 7.627 31.349 19.980 1.00 63.11 N ATOM 1509 CA ARG A 97 7.943 31.292 18.558 1.00 4.23 C ATOM 1510 C ARG A 97 8.172 29.852 18.109 1.00 43.55 C ATOM 1511 O ARG A 97 8.437 28.959 18.914 1.00 71.21 O ATOM 1512 CB ARG A 97 9.183 32.135 18.255 1.00 73.41 C ATOM 1513 CG ARG A 97 8.872 33.440 17.539 1.00 1.34 C ATOM 1514 CD ARG A 97 9.951 33.789 16.525 1.00 62.01 C ATOM 1515 NE ARG A 97 11.283 33.790 17.122 1.00 40.21 N ATOM 1516 CZ ARG A 97 12.386 34.124 16.460 1.00 23.55 C ATOM 1517 NH1 ARG A 97 12.314 34.482 15.185 1.00 33.55 N ATOM 1518 NH2 ARG A 97 13.562 34.099 17.072 1.00 73.24 N ATOM 0 H ARG A 97 7.637 30.444 20.451 1.00 63.11 H new ATOM 0 HA ARG A 97 7.094 31.696 18.007 1.00 4.23 H new ATOM 0 HB2 ARG A 97 9.698 32.357 19.189 1.00 73.41 H new ATOM 0 HB3 ARG A 97 9.870 31.549 17.644 1.00 73.41 H new ATOM 0 HG2 ARG A 97 7.909 33.359 17.034 1.00 1.34 H new ATOM 0 HG3 ARG A 97 8.783 34.245 18.269 1.00 1.34 H new ATOM 0 HD2 ARG A 97 9.922 33.073 15.704 1.00 62.01 H new ATOM 0 HD3 ARG A 97 9.744 34.771 16.099 1.00 62.01 H new ATOM 0 HE ARG A 97 11.372 33.519 18.101 1.00 40.21 H new ATOM 0 HH11 ARG A 97 11.411 34.501 14.711 1.00 33.55 H new ATOM 0 HH12 ARG A 97 13.162 34.738 14.679 1.00 33.55 H new ATOM 0 HH21 ARG A 97 13.621 33.823 18.052 1.00 73.24 H new ATOM 0 HH22 ARG A 97 14.408 34.356 16.563 1.00 73.24 H new ATOM 1532 N PRO A 98 8.071 29.618 16.792 1.00 62.14 N ATOM 1533 CA PRO A 98 8.264 28.289 16.206 1.00 1.22 C ATOM 1534 C PRO A 98 9.717 27.831 16.274 1.00 42.20 C ATOM 1535 O PRO A 98 10.592 28.410 15.629 1.00 31.41 O ATOM 1536 CB PRO A 98 7.829 28.476 14.750 1.00 12.21 C ATOM 1537 CG PRO A 98 8.037 29.925 14.476 1.00 71.44 C ATOM 1538 CD PRO A 98 7.760 30.635 15.773 1.00 72.34 C ATOM 0 HA PRO A 98 7.700 27.523 16.738 1.00 1.22 H new ATOM 0 HB2 PRO A 98 8.422 27.857 14.077 1.00 12.21 H new ATOM 0 HB3 PRO A 98 6.786 28.192 14.609 1.00 12.21 H new ATOM 0 HG2 PRO A 98 9.055 30.116 14.136 1.00 71.44 H new ATOM 0 HG3 PRO A 98 7.368 30.274 13.689 1.00 71.44 H new ATOM 0 HD2 PRO A 98 8.384 31.522 15.887 1.00 72.34 H new ATOM 0 HD3 PRO A 98 6.723 30.964 15.837 1.00 72.34 H new ATOM 1546 N VAL A 99 9.967 26.787 17.058 1.00 63.12 N ATOM 1547 CA VAL A 99 11.314 26.251 17.208 1.00 14.53 C ATOM 1548 C VAL A 99 11.735 25.467 15.970 1.00 12.42 C ATOM 1549 O VAL A 99 10.903 24.866 15.291 1.00 23.50 O ATOM 1550 CB VAL A 99 11.420 25.334 18.442 1.00 22.53 C ATOM 1551 CG1 VAL A 99 10.591 24.074 18.243 1.00 14.24 C ATOM 1552 CG2 VAL A 99 12.873 24.987 18.726 1.00 13.10 C ATOM 0 H VAL A 99 9.255 26.296 17.599 1.00 63.12 H new ATOM 0 HA VAL A 99 11.980 27.104 17.339 1.00 14.53 H new ATOM 0 HB VAL A 99 11.024 25.869 19.305 1.00 22.53 H new ATOM 0 HG11 VAL A 99 10.678 23.438 19.124 1.00 14.24 H new ATOM 0 HG12 VAL A 99 9.546 24.346 18.093 1.00 14.24 H new ATOM 0 HG13 VAL A 99 10.954 23.534 17.369 1.00 14.24 H new ATOM 0 HG21 VAL A 99 12.928 24.339 19.601 1.00 13.10 H new ATOM 0 HG22 VAL A 99 13.299 24.472 17.865 1.00 13.10 H new ATOM 0 HG23 VAL A 99 13.435 25.901 18.916 1.00 13.10 H new ATOM 1562 N ILE A 100 13.033 25.477 15.683 1.00 30.41 N ATOM 1563 CA ILE A 100 13.564 24.766 14.528 1.00 2.12 C ATOM 1564 C ILE A 100 13.942 23.333 14.890 1.00 65.13 C ATOM 1565 O ILE A 100 13.426 22.379 14.308 1.00 42.34 O ATOM 1566 CB ILE A 100 14.800 25.479 13.946 1.00 12.04 C ATOM 1567 CG1 ILE A 100 14.460 26.928 13.593 1.00 52.32 C ATOM 1568 CG2 ILE A 100 15.314 24.737 12.722 1.00 21.24 C ATOM 1569 CD1 ILE A 100 15.676 27.781 13.306 1.00 22.33 C ATOM 0 H ILE A 100 13.735 25.970 16.235 1.00 30.41 H new ATOM 0 HA ILE A 100 12.775 24.753 13.776 1.00 2.12 H new ATOM 0 HB ILE A 100 15.587 25.483 14.700 1.00 12.04 H new ATOM 0 HG12 ILE A 100 13.806 26.937 12.721 1.00 52.32 H new ATOM 0 HG13 ILE A 100 13.900 27.372 14.416 1.00 52.32 H new ATOM 0 HG21 ILE A 100 16.187 25.254 12.323 1.00 21.24 H new ATOM 0 HG22 ILE A 100 15.591 23.721 13.002 1.00 21.24 H new ATOM 0 HG23 ILE A 100 14.533 24.704 11.962 1.00 21.24 H new ATOM 0 HD11 ILE A 100 15.360 28.795 13.063 1.00 22.33 H new ATOM 0 HD12 ILE A 100 16.321 27.802 14.184 1.00 22.33 H new ATOM 0 HD13 ILE A 100 16.225 27.361 12.463 1.00 22.33 H new ATOM 1581 N ALA A 101 14.843 23.190 15.855 1.00 52.14 N ATOM 1582 CA ALA A 101 15.287 21.875 16.297 1.00 15.02 C ATOM 1583 C ALA A 101 15.494 21.845 17.808 1.00 1.44 C ATOM 1584 O ALA A 101 16.345 22.557 18.342 1.00 51.41 O ATOM 1585 CB ALA A 101 16.568 21.480 15.579 1.00 54.44 C ATOM 0 H ALA A 101 15.280 23.970 16.346 1.00 52.14 H new ATOM 0 HA ALA A 101 14.508 21.154 16.048 1.00 15.02 H new ATOM 0 HB1 ALA A 101 16.887 20.495 15.920 1.00 54.44 H new ATOM 0 HB2 ALA A 101 16.389 21.451 14.504 1.00 54.44 H new ATOM 0 HB3 ALA A 101 17.347 22.210 15.798 1.00 54.44 H new ATOM 1591 N CYS A 102 14.712 21.017 18.492 1.00 5.02 N ATOM 1592 CA CYS A 102 14.809 20.896 19.942 1.00 32.12 C ATOM 1593 C CYS A 102 15.148 19.465 20.347 1.00 24.21 C ATOM 1594 O CYS A 102 14.995 18.533 19.557 1.00 60.52 O ATOM 1595 CB CYS A 102 13.497 21.328 20.600 1.00 55.54 C ATOM 1596 SG CYS A 102 12.023 20.586 19.864 1.00 62.31 S ATOM 0 H CYS A 102 14.004 20.420 18.066 1.00 5.02 H new ATOM 0 HA CYS A 102 15.611 21.551 20.283 1.00 32.12 H new ATOM 0 HB2 CYS A 102 13.531 21.069 21.658 1.00 55.54 H new ATOM 0 HB3 CYS A 102 13.413 22.413 20.540 1.00 55.54 H new ATOM 0 HG CYS A 102 12.371 19.825 18.869 1.00 62.31 H new ATOM 1602 N SER A 103 15.609 19.298 21.582 1.00 24.12 N ATOM 1603 CA SER A 103 15.975 17.980 22.090 1.00 61.22 C ATOM 1604 C SER A 103 15.707 17.883 23.588 1.00 34.15 C ATOM 1605 O SER A 103 15.628 18.894 24.284 1.00 70.53 O ATOM 1606 CB SER A 103 17.450 17.693 21.804 1.00 11.05 C ATOM 1607 OG SER A 103 18.292 18.546 22.559 1.00 61.51 O ATOM 0 H SER A 103 15.738 20.058 22.250 1.00 24.12 H new ATOM 0 HA SER A 103 15.362 17.237 21.580 1.00 61.22 H new ATOM 0 HB2 SER A 103 17.674 16.653 22.042 1.00 11.05 H new ATOM 0 HB3 SER A 103 17.650 17.827 20.741 1.00 11.05 H new ATOM 0 HG SER A 103 19.063 18.038 22.888 1.00 61.51 H new ATOM 1613 N VAL A 104 15.567 16.655 24.079 1.00 20.13 N ATOM 1614 CA VAL A 104 15.309 16.423 25.495 1.00 23.45 C ATOM 1615 C VAL A 104 16.434 15.616 26.133 1.00 32.15 C ATOM 1616 O VAL A 104 16.737 14.502 25.703 1.00 52.35 O ATOM 1617 CB VAL A 104 13.976 15.681 25.708 1.00 71.45 C ATOM 1618 CG1 VAL A 104 13.739 15.421 27.188 1.00 5.31 C ATOM 1619 CG2 VAL A 104 12.824 16.473 25.108 1.00 65.44 C ATOM 0 H VAL A 104 15.628 15.806 23.517 1.00 20.13 H new ATOM 0 HA VAL A 104 15.252 17.402 25.971 1.00 23.45 H new ATOM 0 HB VAL A 104 14.031 14.719 25.199 1.00 71.45 H new ATOM 0 HG11 VAL A 104 12.793 14.896 27.318 1.00 5.31 H new ATOM 0 HG12 VAL A 104 14.550 14.810 27.585 1.00 5.31 H new ATOM 0 HG13 VAL A 104 13.704 16.370 27.723 1.00 5.31 H new ATOM 0 HG21 VAL A 104 11.890 15.934 25.268 1.00 65.44 H new ATOM 0 HG22 VAL A 104 12.766 17.450 25.587 1.00 65.44 H new ATOM 0 HG23 VAL A 104 12.990 16.603 24.039 1.00 65.44 H new ATOM 1629 N THR A 105 17.050 16.184 27.165 1.00 60.12 N ATOM 1630 CA THR A 105 18.143 15.519 27.864 1.00 32.21 C ATOM 1631 C THR A 105 17.614 14.548 28.913 1.00 35.32 C ATOM 1632 O THR A 105 16.703 14.878 29.674 1.00 0.02 O ATOM 1633 CB THR A 105 19.075 16.537 28.547 1.00 74.41 C ATOM 1634 OG1 THR A 105 18.432 17.095 29.699 1.00 62.13 O ATOM 1635 CG2 THR A 105 19.458 17.651 27.584 1.00 71.14 C ATOM 0 H THR A 105 16.810 17.104 27.535 1.00 60.12 H new ATOM 0 HA THR A 105 18.709 14.967 27.114 1.00 32.21 H new ATOM 0 HB THR A 105 19.982 16.016 28.855 1.00 74.41 H new ATOM 0 HG1 THR A 105 18.958 16.889 30.499 1.00 62.13 H new ATOM 0 HG21 THR A 105 20.116 18.358 28.089 1.00 71.14 H new ATOM 0 HG22 THR A 105 19.974 17.226 26.723 1.00 71.14 H new ATOM 0 HG23 THR A 105 18.559 18.168 27.250 1.00 71.14 H new ATOM 1643 N ILE A 106 18.190 13.351 28.949 1.00 43.22 N ATOM 1644 CA ILE A 106 17.777 12.333 29.907 1.00 70.55 C ATOM 1645 C ILE A 106 18.581 12.436 31.199 1.00 22.52 C ATOM 1646 O ILE A 106 19.777 12.728 31.177 1.00 31.02 O ATOM 1647 CB ILE A 106 17.937 10.916 29.326 1.00 42.20 C ATOM 1648 CG1 ILE A 106 17.371 9.877 30.296 1.00 33.24 C ATOM 1649 CG2 ILE A 106 19.401 10.628 29.029 1.00 1.32 C ATOM 1650 CD1 ILE A 106 16.892 8.614 29.617 1.00 45.00 C ATOM 0 H ILE A 106 18.944 13.062 28.326 1.00 43.22 H new ATOM 0 HA ILE A 106 16.724 12.511 30.123 1.00 70.55 H new ATOM 0 HB ILE A 106 17.378 10.857 28.392 1.00 42.20 H new ATOM 0 HG12 ILE A 106 18.137 9.619 31.027 1.00 33.24 H new ATOM 0 HG13 ILE A 106 16.542 10.320 30.847 1.00 33.24 H new ATOM 0 HG21 ILE A 106 19.498 9.623 28.619 1.00 1.32 H new ATOM 0 HG22 ILE A 106 19.775 11.353 28.306 1.00 1.32 H new ATOM 0 HG23 ILE A 106 19.980 10.702 29.949 1.00 1.32 H new ATOM 0 HD11 ILE A 106 16.504 7.923 30.366 1.00 45.00 H new ATOM 0 HD12 ILE A 106 16.103 8.860 28.906 1.00 45.00 H new ATOM 0 HD13 ILE A 106 17.723 8.147 29.089 1.00 45.00 H new ATOM 1662 N LYS A 107 17.916 12.192 32.323 1.00 12.11 N ATOM 1663 CA LYS A 107 18.568 12.254 33.625 1.00 14.34 C ATOM 1664 C LYS A 107 18.802 10.853 34.183 1.00 34.33 C ATOM 1665 O LYS A 107 17.933 9.986 34.091 1.00 73.12 O ATOM 1666 CB LYS A 107 17.722 13.070 34.605 1.00 63.30 C ATOM 1667 CG LYS A 107 18.477 13.500 35.850 1.00 13.13 C ATOM 1668 CD LYS A 107 19.120 14.865 35.669 1.00 3.25 C ATOM 1669 CE LYS A 107 20.017 15.218 36.845 1.00 13.42 C ATOM 1670 NZ LYS A 107 21.338 15.741 36.399 1.00 40.33 N ATOM 0 H LYS A 107 16.926 11.949 32.358 1.00 12.11 H new ATOM 0 HA LYS A 107 19.534 12.742 33.496 1.00 14.34 H new ATOM 0 HB2 LYS A 107 17.345 13.956 34.095 1.00 63.30 H new ATOM 0 HB3 LYS A 107 16.855 12.480 34.902 1.00 63.30 H new ATOM 0 HG2 LYS A 107 17.794 13.528 36.699 1.00 13.13 H new ATOM 0 HG3 LYS A 107 19.245 12.763 36.083 1.00 13.13 H new ATOM 0 HD2 LYS A 107 19.704 14.874 34.749 1.00 3.25 H new ATOM 0 HD3 LYS A 107 18.344 15.623 35.562 1.00 3.25 H new ATOM 0 HE2 LYS A 107 19.523 15.964 37.467 1.00 13.42 H new ATOM 0 HE3 LYS A 107 20.167 14.334 37.465 1.00 13.42 H new ATOM 0 HZ1 LYS A 107 21.919 15.970 37.230 1.00 40.33 H new ATOM 0 HZ2 LYS A 107 21.821 15.020 35.826 1.00 40.33 H new ATOM 0 HZ3 LYS A 107 21.197 16.599 35.829 1.00 40.33 H new ATOM 1684 N GLU A 108 19.978 10.641 34.764 1.00 42.43 N ATOM 1685 CA GLU A 108 20.324 9.345 35.337 1.00 72.23 C ATOM 1686 C GLU A 108 19.656 9.156 36.696 1.00 34.22 C ATOM 1687 O GLU A 108 19.558 10.093 37.487 1.00 54.32 O ATOM 1688 CB GLU A 108 21.842 9.214 35.480 1.00 60.43 C ATOM 1689 CG GLU A 108 22.289 7.859 36.002 1.00 63.31 C ATOM 1690 CD GLU A 108 23.773 7.812 36.308 1.00 42.04 C ATOM 1691 OE1 GLU A 108 24.153 8.143 37.451 1.00 22.30 O ATOM 1692 OE2 GLU A 108 24.555 7.447 35.405 1.00 13.02 O ATOM 0 H GLU A 108 20.707 11.349 34.851 1.00 42.43 H new ATOM 0 HA GLU A 108 19.962 8.570 34.662 1.00 72.23 H new ATOM 0 HB2 GLU A 108 22.307 9.392 34.510 1.00 60.43 H new ATOM 0 HB3 GLU A 108 22.203 9.991 36.154 1.00 60.43 H new ATOM 0 HG2 GLU A 108 21.728 7.619 36.905 1.00 63.31 H new ATOM 0 HG3 GLU A 108 22.050 7.093 35.265 1.00 63.31 H new ATOM 1699 N GLY A 109 19.198 7.936 36.960 1.00 71.31 N ATOM 1700 CA GLY A 109 18.544 7.646 38.223 1.00 63.23 C ATOM 1701 C GLY A 109 17.397 8.593 38.514 1.00 44.21 C ATOM 1702 O GLY A 109 17.284 9.121 39.619 1.00 72.14 O ATOM 0 H GLY A 109 19.268 7.143 36.322 1.00 71.31 H new ATOM 0 HA2 GLY A 109 18.171 6.622 38.208 1.00 63.23 H new ATOM 0 HA3 GLY A 109 19.275 7.707 39.029 1.00 63.23 H new ATOM 1706 N SER A 110 16.544 8.809 37.517 1.00 72.15 N ATOM 1707 CA SER A 110 15.402 9.703 37.670 1.00 64.15 C ATOM 1708 C SER A 110 14.095 8.971 37.377 1.00 53.24 C ATOM 1709 O SER A 110 14.053 8.063 36.549 1.00 13.43 O ATOM 1710 CB SER A 110 15.543 10.909 36.738 1.00 12.22 C ATOM 1711 OG SER A 110 15.687 10.497 35.389 1.00 32.03 O ATOM 0 H SER A 110 16.622 8.378 36.596 1.00 72.15 H new ATOM 0 HA SER A 110 15.380 10.050 38.703 1.00 64.15 H new ATOM 0 HB2 SER A 110 14.667 11.551 36.834 1.00 12.22 H new ATOM 0 HB3 SER A 110 16.408 11.503 37.035 1.00 12.22 H new ATOM 0 HG SER A 110 16.595 10.156 35.246 1.00 32.03 H new ATOM 1717 N GLN A 111 13.032 9.376 38.065 1.00 31.03 N ATOM 1718 CA GLN A 111 11.725 8.758 37.880 1.00 33.32 C ATOM 1719 C GLN A 111 11.223 8.960 36.454 1.00 51.52 C ATOM 1720 O GLN A 111 10.519 8.110 35.906 1.00 52.44 O ATOM 1721 CB GLN A 111 10.718 9.339 38.874 1.00 33.52 C ATOM 1722 CG GLN A 111 10.483 10.831 38.700 1.00 41.01 C ATOM 1723 CD GLN A 111 9.169 11.139 38.009 1.00 60.40 C ATOM 1724 OE1 GLN A 111 9.147 11.549 36.849 1.00 25.33 O ATOM 1725 NE2 GLN A 111 8.065 10.941 38.720 1.00 30.21 N ATOM 0 H GLN A 111 13.050 10.128 38.754 1.00 31.03 H new ATOM 0 HA GLN A 111 11.829 7.688 38.061 1.00 33.32 H new ATOM 0 HB2 GLN A 111 9.769 8.815 38.765 1.00 33.52 H new ATOM 0 HB3 GLN A 111 11.071 9.151 39.888 1.00 33.52 H new ATOM 0 HG2 GLN A 111 10.497 11.313 39.677 1.00 41.01 H new ATOM 0 HG3 GLN A 111 11.302 11.259 38.122 1.00 41.01 H new ATOM 0 HE21 GLN A 111 8.130 10.600 39.679 1.00 30.21 H new ATOM 0 HE22 GLN A 111 7.152 11.130 38.307 1.00 30.21 H new ATOM 1734 N LEU A 112 11.589 10.089 35.858 1.00 53.42 N ATOM 1735 CA LEU A 112 11.177 10.403 34.495 1.00 62.21 C ATOM 1736 C LEU A 112 11.753 9.395 33.505 1.00 53.45 C ATOM 1737 O LEU A 112 11.131 9.077 32.492 1.00 71.44 O ATOM 1738 CB LEU A 112 11.623 11.818 34.118 1.00 14.33 C ATOM 1739 CG LEU A 112 10.510 12.854 33.965 1.00 51.45 C ATOM 1740 CD1 LEU A 112 11.094 14.219 33.636 1.00 42.31 C ATOM 1741 CD2 LEU A 112 9.522 12.422 32.892 1.00 41.24 C ATOM 0 H LEU A 112 12.171 10.802 36.297 1.00 53.42 H new ATOM 0 HA LEU A 112 10.089 10.348 34.450 1.00 62.21 H new ATOM 0 HB2 LEU A 112 12.320 12.172 34.878 1.00 14.33 H new ATOM 0 HB3 LEU A 112 12.175 11.765 33.179 1.00 14.33 H new ATOM 0 HG LEU A 112 9.976 12.928 34.912 1.00 51.45 H new ATOM 0 HD11 LEU A 112 10.287 14.944 33.531 1.00 42.31 H new ATOM 0 HD12 LEU A 112 11.761 14.533 34.439 1.00 42.31 H new ATOM 0 HD13 LEU A 112 11.653 14.160 32.702 1.00 42.31 H new ATOM 0 HD21 LEU A 112 8.737 13.172 32.797 1.00 41.24 H new ATOM 0 HD22 LEU A 112 10.042 12.318 31.939 1.00 41.24 H new ATOM 0 HD23 LEU A 112 9.079 11.466 33.169 1.00 41.24 H new ATOM 1753 N LYS A 113 12.946 8.894 33.807 1.00 21.42 N ATOM 1754 CA LYS A 113 13.606 7.920 32.947 1.00 1.23 C ATOM 1755 C LYS A 113 12.685 6.738 32.657 1.00 42.43 C ATOM 1756 O LYS A 113 12.670 6.212 31.544 1.00 71.44 O ATOM 1757 CB LYS A 113 14.898 7.423 33.601 1.00 74.01 C ATOM 1758 CG LYS A 113 15.724 6.517 32.706 1.00 43.42 C ATOM 1759 CD LYS A 113 16.231 5.299 33.460 1.00 31.44 C ATOM 1760 CE LYS A 113 15.457 4.046 33.079 1.00 4.51 C ATOM 1761 NZ LYS A 113 16.121 2.811 33.578 1.00 1.14 N ATOM 0 H LYS A 113 13.475 9.147 34.641 1.00 21.42 H new ATOM 0 HA LYS A 113 13.848 8.411 32.004 1.00 1.23 H new ATOM 0 HB2 LYS A 113 15.503 8.283 33.890 1.00 74.01 H new ATOM 0 HB3 LYS A 113 14.649 6.886 34.516 1.00 74.01 H new ATOM 0 HG2 LYS A 113 15.121 6.195 31.857 1.00 43.42 H new ATOM 0 HG3 LYS A 113 16.570 7.075 32.303 1.00 43.42 H new ATOM 0 HD2 LYS A 113 17.290 5.153 33.247 1.00 31.44 H new ATOM 0 HD3 LYS A 113 16.142 5.471 34.533 1.00 31.44 H new ATOM 0 HE2 LYS A 113 14.447 4.105 33.486 1.00 4.51 H new ATOM 0 HE3 LYS A 113 15.361 3.994 31.994 1.00 4.51 H new ATOM 0 HZ1 LYS A 113 15.563 1.979 33.298 1.00 1.14 H new ATOM 0 HZ2 LYS A 113 17.075 2.741 33.170 1.00 1.14 H new ATOM 0 HZ3 LYS A 113 16.190 2.849 34.615 1.00 1.14 H new ATOM 1775 N GLN A 114 11.920 6.329 33.663 1.00 2.40 N ATOM 1776 CA GLN A 114 10.997 5.210 33.514 1.00 65.33 C ATOM 1777 C GLN A 114 9.999 5.475 32.392 1.00 65.12 C ATOM 1778 O GLN A 114 9.505 4.544 31.755 1.00 33.23 O ATOM 1779 CB GLN A 114 10.252 4.958 34.826 1.00 2.44 C ATOM 1780 CG GLN A 114 9.296 3.778 34.765 1.00 11.24 C ATOM 1781 CD GLN A 114 10.011 2.443 34.828 1.00 25.22 C ATOM 1782 OE1 GLN A 114 10.759 2.169 35.766 1.00 32.12 O ATOM 1783 NE2 GLN A 114 9.784 1.601 33.825 1.00 70.11 N ATOM 0 H GLN A 114 11.921 6.755 34.590 1.00 2.40 H new ATOM 0 HA GLN A 114 11.578 4.324 33.258 1.00 65.33 H new ATOM 0 HB2 GLN A 114 10.979 4.785 35.620 1.00 2.44 H new ATOM 0 HB3 GLN A 114 9.693 5.854 35.095 1.00 2.44 H new ATOM 0 HG2 GLN A 114 8.588 3.846 35.591 1.00 11.24 H new ATOM 0 HG3 GLN A 114 8.717 3.832 33.843 1.00 11.24 H new ATOM 0 HE21 GLN A 114 9.156 1.868 33.067 1.00 70.11 H new ATOM 0 HE22 GLN A 114 10.238 0.687 33.813 1.00 70.11 H new ATOM 1792 N GLN A 115 9.706 6.749 32.155 1.00 44.14 N ATOM 1793 CA GLN A 115 8.766 7.135 31.110 1.00 63.53 C ATOM 1794 C GLN A 115 9.491 7.404 29.796 1.00 42.24 C ATOM 1795 O GLN A 115 9.112 6.879 28.749 1.00 2.20 O ATOM 1796 CB GLN A 115 7.980 8.378 31.535 1.00 63.52 C ATOM 1797 CG GLN A 115 6.492 8.124 31.717 1.00 15.11 C ATOM 1798 CD GLN A 115 5.645 8.866 30.703 1.00 34.22 C ATOM 1799 OE1 GLN A 115 5.617 10.096 30.682 1.00 74.33 O ATOM 1800 NE2 GLN A 115 4.948 8.120 29.854 1.00 13.34 N ATOM 0 H GLN A 115 10.106 7.532 32.673 1.00 44.14 H new ATOM 0 HA GLN A 115 8.072 6.308 30.958 1.00 63.53 H new ATOM 0 HB2 GLN A 115 8.393 8.756 32.470 1.00 63.52 H new ATOM 0 HB3 GLN A 115 8.118 9.158 30.787 1.00 63.52 H new ATOM 0 HG2 GLN A 115 6.297 7.055 31.635 1.00 15.11 H new ATOM 0 HG3 GLN A 115 6.196 8.425 32.722 1.00 15.11 H new ATOM 0 HE21 GLN A 115 5.001 7.103 29.907 1.00 13.34 H new ATOM 0 HE22 GLN A 115 4.360 8.564 29.149 1.00 13.34 H new ATOM 1809 N ILE A 116 10.535 8.224 29.859 1.00 20.15 N ATOM 1810 CA ILE A 116 11.314 8.560 28.674 1.00 51.21 C ATOM 1811 C ILE A 116 11.876 7.307 28.010 1.00 34.33 C ATOM 1812 O ILE A 116 11.970 7.230 26.786 1.00 31.31 O ATOM 1813 CB ILE A 116 12.476 9.511 29.015 1.00 51.52 C ATOM 1814 CG1 ILE A 116 11.943 10.792 29.661 1.00 35.33 C ATOM 1815 CG2 ILE A 116 13.279 9.838 27.765 1.00 4.15 C ATOM 1816 CD1 ILE A 116 13.032 11.729 30.133 1.00 23.22 C ATOM 0 H ILE A 116 10.861 8.668 30.718 1.00 20.15 H new ATOM 0 HA ILE A 116 10.636 9.061 27.983 1.00 51.21 H new ATOM 0 HB ILE A 116 13.135 9.013 29.727 1.00 51.52 H new ATOM 0 HG12 ILE A 116 11.311 11.315 28.944 1.00 35.33 H new ATOM 0 HG13 ILE A 116 11.311 10.526 30.508 1.00 35.33 H new ATOM 0 HG21 ILE A 116 14.096 10.511 28.023 1.00 4.15 H new ATOM 0 HG22 ILE A 116 13.685 8.919 27.343 1.00 4.15 H new ATOM 0 HG23 ILE A 116 12.631 10.319 27.032 1.00 4.15 H new ATOM 0 HD11 ILE A 116 12.581 12.615 30.580 1.00 23.22 H new ATOM 0 HD12 ILE A 116 13.651 11.224 30.874 1.00 23.22 H new ATOM 0 HD13 ILE A 116 13.650 12.025 29.285 1.00 23.22 H new ATOM 1828 N GLN A 117 12.246 6.326 28.828 1.00 73.44 N ATOM 1829 CA GLN A 117 12.797 5.076 28.321 1.00 42.02 C ATOM 1830 C GLN A 117 11.735 4.279 27.570 1.00 10.44 C ATOM 1831 O GLN A 117 12.034 3.600 26.587 1.00 74.51 O ATOM 1832 CB GLN A 117 13.363 4.240 29.470 1.00 24.21 C ATOM 1833 CG GLN A 117 14.244 3.090 29.009 1.00 24.32 C ATOM 1834 CD GLN A 117 13.854 1.767 29.641 1.00 42.22 C ATOM 1835 OE1 GLN A 117 14.592 1.215 30.457 1.00 62.24 O ATOM 1836 NE2 GLN A 117 12.689 1.252 29.264 1.00 52.20 N ATOM 0 H GLN A 117 12.174 6.374 29.844 1.00 73.44 H new ATOM 0 HA GLN A 117 13.602 5.317 27.627 1.00 42.02 H new ATOM 0 HB2 GLN A 117 13.941 4.888 30.129 1.00 24.21 H new ATOM 0 HB3 GLN A 117 12.537 3.841 30.059 1.00 24.21 H new ATOM 0 HG2 GLN A 117 14.183 3.002 27.924 1.00 24.32 H new ATOM 0 HG3 GLN A 117 15.283 3.313 29.253 1.00 24.32 H new ATOM 0 HE21 GLN A 117 12.110 1.745 28.584 1.00 52.20 H new ATOM 0 HE22 GLN A 117 12.374 0.364 29.654 1.00 52.20 H new ATOM 1845 N SER A 118 10.495 4.364 28.041 1.00 10.02 N ATOM 1846 CA SER A 118 9.390 3.646 27.417 1.00 14.32 C ATOM 1847 C SER A 118 9.024 4.273 26.075 1.00 12.31 C ATOM 1848 O SER A 118 8.937 3.582 25.059 1.00 51.31 O ATOM 1849 CB SER A 118 8.170 3.643 28.340 1.00 33.30 C ATOM 1850 OG SER A 118 6.966 3.596 27.595 1.00 63.30 O ATOM 0 H SER A 118 10.231 4.923 28.852 1.00 10.02 H new ATOM 0 HA SER A 118 9.709 2.618 27.244 1.00 14.32 H new ATOM 0 HB2 SER A 118 8.220 2.785 29.011 1.00 33.30 H new ATOM 0 HB3 SER A 118 8.180 4.537 28.964 1.00 33.30 H new ATOM 0 HG SER A 118 6.202 3.593 28.208 1.00 63.30 H new ATOM 1856 N ILE A 119 8.811 5.584 26.080 1.00 33.51 N ATOM 1857 CA ILE A 119 8.455 6.304 24.864 1.00 34.01 C ATOM 1858 C ILE A 119 9.612 6.310 23.870 1.00 35.54 C ATOM 1859 O ILE A 119 9.402 6.371 22.660 1.00 65.51 O ATOM 1860 CB ILE A 119 8.049 7.758 25.169 1.00 33.22 C ATOM 1861 CG1 ILE A 119 7.461 8.419 23.920 1.00 34.33 C ATOM 1862 CG2 ILE A 119 9.245 8.547 25.679 1.00 21.13 C ATOM 1863 CD1 ILE A 119 6.497 9.543 24.229 1.00 53.02 C ATOM 0 H ILE A 119 8.879 6.169 26.913 1.00 33.51 H new ATOM 0 HA ILE A 119 7.605 5.782 24.426 1.00 34.01 H new ATOM 0 HB ILE A 119 7.286 7.750 25.947 1.00 33.22 H new ATOM 0 HG12 ILE A 119 8.274 8.807 23.307 1.00 34.33 H new ATOM 0 HG13 ILE A 119 6.947 7.663 23.326 1.00 34.33 H new ATOM 0 HG21 ILE A 119 8.941 9.572 25.890 1.00 21.13 H new ATOM 0 HG22 ILE A 119 9.623 8.086 26.591 1.00 21.13 H new ATOM 0 HG23 ILE A 119 10.029 8.549 24.922 1.00 21.13 H new ATOM 0 HD11 ILE A 119 6.120 9.965 23.298 1.00 53.02 H new ATOM 0 HD12 ILE A 119 5.664 9.157 24.816 1.00 53.02 H new ATOM 0 HD13 ILE A 119 7.012 10.318 24.796 1.00 53.02 H new ATOM 1875 N GLN A 120 10.833 6.242 24.392 1.00 61.42 N ATOM 1876 CA GLN A 120 12.023 6.239 23.549 1.00 12.21 C ATOM 1877 C GLN A 120 11.958 5.116 22.520 1.00 22.11 C ATOM 1878 O GLN A 120 12.261 5.320 21.345 1.00 75.21 O ATOM 1879 CB GLN A 120 13.281 6.088 24.408 1.00 31.44 C ATOM 1880 CG GLN A 120 14.548 5.870 23.597 1.00 61.21 C ATOM 1881 CD GLN A 120 15.707 6.714 24.090 1.00 43.11 C ATOM 1882 OE1 GLN A 120 16.127 7.661 23.424 1.00 51.41 O ATOM 1883 NE2 GLN A 120 16.230 6.375 25.262 1.00 51.50 N ATOM 0 H GLN A 120 11.024 6.188 25.393 1.00 61.42 H new ATOM 0 HA GLN A 120 12.065 7.190 23.019 1.00 12.21 H new ATOM 0 HB2 GLN A 120 13.401 6.981 25.022 1.00 31.44 H new ATOM 0 HB3 GLN A 120 13.147 5.248 25.090 1.00 31.44 H new ATOM 0 HG2 GLN A 120 14.826 4.817 23.640 1.00 61.21 H new ATOM 0 HG3 GLN A 120 14.351 6.105 22.551 1.00 61.21 H new ATOM 0 HE21 GLN A 120 15.850 5.583 25.780 1.00 51.50 H new ATOM 0 HE22 GLN A 120 17.012 6.907 25.645 1.00 51.50 H new ATOM 1892 N GLN A 121 11.560 3.929 22.970 1.00 42.13 N ATOM 1893 CA GLN A 121 11.457 2.773 22.087 1.00 61.04 C ATOM 1894 C GLN A 121 10.575 3.087 20.882 1.00 15.14 C ATOM 1895 O GLN A 121 10.740 2.502 19.811 1.00 51.24 O ATOM 1896 CB GLN A 121 10.894 1.573 22.848 1.00 22.31 C ATOM 1897 CG GLN A 121 10.899 0.284 22.041 1.00 33.32 C ATOM 1898 CD GLN A 121 12.236 -0.430 22.090 1.00 65.03 C ATOM 1899 OE1 GLN A 121 13.081 -0.132 22.934 1.00 51.11 O ATOM 1900 NE2 GLN A 121 12.433 -1.378 21.182 1.00 42.41 N ATOM 0 H GLN A 121 11.304 3.743 23.940 1.00 42.13 H new ATOM 0 HA GLN A 121 12.457 2.529 21.729 1.00 61.04 H new ATOM 0 HB2 GLN A 121 11.476 1.425 23.758 1.00 22.31 H new ATOM 0 HB3 GLN A 121 9.872 1.795 23.156 1.00 22.31 H new ATOM 0 HG2 GLN A 121 10.122 -0.380 22.420 1.00 33.32 H new ATOM 0 HG3 GLN A 121 10.649 0.508 21.004 1.00 33.32 H new ATOM 0 HE21 GLN A 121 11.704 -1.592 20.501 1.00 42.41 H new ATOM 0 HE22 GLN A 121 13.313 -1.893 21.165 1.00 42.41 H new ATOM 1909 N SER A 122 9.637 4.011 21.065 1.00 32.14 N ATOM 1910 CA SER A 122 8.726 4.398 19.996 1.00 5.12 C ATOM 1911 C SER A 122 9.493 4.980 18.812 1.00 11.31 C ATOM 1912 O SER A 122 9.222 4.648 17.658 1.00 20.12 O ATOM 1913 CB SER A 122 7.707 5.417 20.508 1.00 45.21 C ATOM 1914 OG SER A 122 6.435 5.206 19.921 1.00 74.22 O ATOM 0 H SER A 122 9.489 4.505 21.945 1.00 32.14 H new ATOM 0 HA SER A 122 8.199 3.505 19.662 1.00 5.12 H new ATOM 0 HB2 SER A 122 7.627 5.343 21.593 1.00 45.21 H new ATOM 0 HB3 SER A 122 8.052 6.426 20.282 1.00 45.21 H new ATOM 0 HG SER A 122 5.801 5.869 20.266 1.00 74.22 H new ATOM 1920 N ILE A 123 10.452 5.851 19.108 1.00 51.12 N ATOM 1921 CA ILE A 123 11.260 6.479 18.070 1.00 10.31 C ATOM 1922 C ILE A 123 12.125 5.451 17.349 1.00 70.30 C ATOM 1923 O ILE A 123 12.167 5.415 16.119 1.00 13.13 O ATOM 1924 CB ILE A 123 12.168 7.578 18.652 1.00 53.14 C ATOM 1925 CG1 ILE A 123 11.344 8.567 19.479 1.00 64.25 C ATOM 1926 CG2 ILE A 123 12.908 8.301 17.535 1.00 33.13 C ATOM 1927 CD1 ILE A 123 12.184 9.579 20.226 1.00 50.00 C ATOM 0 H ILE A 123 10.688 6.138 20.058 1.00 51.12 H new ATOM 0 HA ILE A 123 10.567 6.929 17.360 1.00 10.31 H new ATOM 0 HB ILE A 123 12.904 7.111 19.306 1.00 53.14 H new ATOM 0 HG12 ILE A 123 10.656 9.095 18.819 1.00 64.25 H new ATOM 0 HG13 ILE A 123 10.737 8.012 20.194 1.00 64.25 H new ATOM 0 HG21 ILE A 123 13.546 9.075 17.962 1.00 33.13 H new ATOM 0 HG22 ILE A 123 13.522 7.588 16.984 1.00 33.13 H new ATOM 0 HG23 ILE A 123 12.187 8.758 16.857 1.00 33.13 H new ATOM 0 HD11 ILE A 123 11.533 10.247 20.790 1.00 50.00 H new ATOM 0 HD12 ILE A 123 12.854 9.060 20.912 1.00 50.00 H new ATOM 0 HD13 ILE A 123 12.771 10.160 19.515 1.00 50.00 H new ATOM 1939 N GLU A 124 12.810 4.615 18.121 1.00 54.23 N ATOM 1940 CA GLU A 124 13.673 3.585 17.555 1.00 15.03 C ATOM 1941 C GLU A 124 12.908 2.725 16.553 1.00 62.15 C ATOM 1942 O GLU A 124 13.402 2.436 15.463 1.00 61.21 O ATOM 1943 CB GLU A 124 14.249 2.703 18.666 1.00 24.03 C ATOM 1944 CG GLU A 124 15.588 2.078 18.314 1.00 25.24 C ATOM 1945 CD GLU A 124 15.444 0.833 17.459 1.00 0.14 C ATOM 1946 OE1 GLU A 124 14.324 0.282 17.398 1.00 42.53 O ATOM 1947 OE2 GLU A 124 16.451 0.409 16.853 1.00 62.22 O ATOM 0 H GLU A 124 12.784 4.630 19.141 1.00 54.23 H new ATOM 0 HA GLU A 124 14.492 4.080 17.033 1.00 15.03 H new ATOM 0 HB2 GLU A 124 14.363 3.301 19.570 1.00 24.03 H new ATOM 0 HB3 GLU A 124 13.537 1.910 18.895 1.00 24.03 H new ATOM 0 HG2 GLU A 124 16.198 2.810 17.784 1.00 25.24 H new ATOM 0 HG3 GLU A 124 16.119 1.825 19.232 1.00 25.24 H new ATOM 1954 N ARG A 125 11.700 2.319 16.931 1.00 70.53 N ATOM 1955 CA ARG A 125 10.867 1.492 16.067 1.00 3.31 C ATOM 1956 C ARG A 125 10.729 2.119 14.683 1.00 25.02 C ATOM 1957 O ARG A 125 10.610 1.413 13.679 1.00 34.51 O ATOM 1958 CB ARG A 125 9.484 1.297 16.691 1.00 51.04 C ATOM 1959 CG ARG A 125 9.436 0.195 17.736 1.00 53.20 C ATOM 1960 CD ARG A 125 8.251 0.365 18.673 1.00 41.24 C ATOM 1961 NE ARG A 125 6.986 0.036 18.021 1.00 12.43 N ATOM 1962 CZ ARG A 125 5.797 0.259 18.571 1.00 2.24 C ATOM 1963 NH1 ARG A 125 5.711 0.809 19.774 1.00 20.22 N ATOM 1964 NH2 ARG A 125 4.691 -0.069 17.915 1.00 4.14 N ATOM 0 H ARG A 125 11.277 2.550 17.830 1.00 70.53 H new ATOM 0 HA ARG A 125 11.350 0.521 15.960 1.00 3.31 H new ATOM 0 HB2 ARG A 125 9.166 2.234 17.149 1.00 51.04 H new ATOM 0 HB3 ARG A 125 8.768 1.069 15.902 1.00 51.04 H new ATOM 0 HG2 ARG A 125 9.373 -0.774 17.241 1.00 53.20 H new ATOM 0 HG3 ARG A 125 10.361 0.199 18.313 1.00 53.20 H new ATOM 0 HD2 ARG A 125 8.385 -0.273 19.547 1.00 41.24 H new ATOM 0 HD3 ARG A 125 8.217 1.394 19.032 1.00 41.24 H new ATOM 0 HE ARG A 125 7.017 -0.388 17.094 1.00 12.43 H new ATOM 0 HH11 ARG A 125 6.559 1.063 20.281 1.00 20.22 H new ATOM 0 HH12 ARG A 125 4.797 0.979 20.193 1.00 20.22 H new ATOM 0 HH21 ARG A 125 4.754 -0.492 16.989 1.00 4.14 H new ATOM 0 HH22 ARG A 125 3.778 0.102 18.337 1.00 4.14 H new ATOM 1978 N LEU A 126 10.746 3.445 14.636 1.00 62.44 N ATOM 1979 CA LEU A 126 10.622 4.168 13.374 1.00 32.24 C ATOM 1980 C LEU A 126 11.992 4.418 12.752 1.00 1.54 C ATOM 1981 O LEU A 126 12.120 4.547 11.535 1.00 25.20 O ATOM 1982 CB LEU A 126 9.899 5.498 13.594 1.00 64.02 C ATOM 1983 CG LEU A 126 8.423 5.404 13.984 1.00 41.35 C ATOM 1984 CD1 LEU A 126 8.071 6.479 15.001 1.00 41.41 C ATOM 1985 CD2 LEU A 126 7.538 5.520 12.752 1.00 73.04 C ATOM 0 H LEU A 126 10.844 4.043 15.457 1.00 62.44 H new ATOM 0 HA LEU A 126 10.039 3.553 12.688 1.00 32.24 H new ATOM 0 HB2 LEU A 126 10.425 6.050 14.373 1.00 64.02 H new ATOM 0 HB3 LEU A 126 9.976 6.086 12.679 1.00 64.02 H new ATOM 0 HG LEU A 126 8.248 4.430 14.441 1.00 41.35 H new ATOM 0 HD11 LEU A 126 7.017 6.397 15.267 1.00 41.41 H new ATOM 0 HD12 LEU A 126 8.682 6.349 15.894 1.00 41.41 H new ATOM 0 HD13 LEU A 126 8.261 7.463 14.571 1.00 41.41 H new ATOM 0 HD21 LEU A 126 6.491 5.451 13.048 1.00 73.04 H new ATOM 0 HD22 LEU A 126 7.715 6.479 12.266 1.00 73.04 H new ATOM 0 HD23 LEU A 126 7.773 4.713 12.058 1.00 73.04 H new ATOM 1997 N LEU A 127 13.016 4.482 13.597 1.00 23.24 N ATOM 1998 CA LEU A 127 14.379 4.713 13.131 1.00 25.31 C ATOM 1999 C LEU A 127 14.813 3.623 12.156 1.00 43.41 C ATOM 2000 O LEU A 127 15.284 3.911 11.055 1.00 72.20 O ATOM 2001 CB LEU A 127 15.342 4.766 14.317 1.00 55.15 C ATOM 2002 CG LEU A 127 15.296 6.039 15.164 1.00 64.30 C ATOM 2003 CD1 LEU A 127 16.294 5.955 16.308 1.00 71.53 C ATOM 2004 CD2 LEU A 127 15.569 7.263 14.302 1.00 12.44 C ATOM 0 H LEU A 127 12.928 4.377 14.608 1.00 23.24 H new ATOM 0 HA LEU A 127 14.402 5.670 12.610 1.00 25.31 H new ATOM 0 HB2 LEU A 127 15.135 3.915 14.965 1.00 55.15 H new ATOM 0 HB3 LEU A 127 16.357 4.641 13.941 1.00 55.15 H new ATOM 0 HG LEU A 127 14.297 6.135 15.588 1.00 64.30 H new ATOM 0 HD11 LEU A 127 16.247 6.869 16.900 1.00 71.53 H new ATOM 0 HD12 LEU A 127 16.052 5.101 16.940 1.00 71.53 H new ATOM 0 HD13 LEU A 127 17.300 5.835 15.905 1.00 71.53 H new ATOM 0 HD21 LEU A 127 15.532 8.159 14.921 1.00 12.44 H new ATOM 0 HD22 LEU A 127 16.556 7.176 13.848 1.00 12.44 H new ATOM 0 HD23 LEU A 127 14.814 7.332 13.519 1.00 12.44 H new