USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=21 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 52:sc= 0.471 USER MOD Set 1.2: A 103 SER OG : rot -50:sc= -0.9 USER MOD Set 2.1: A 40 ASN : amide:sc= 0 X(o=1.3,f=1.3) USER MOD Set 2.2: A 43 THR OG1 : rot -73:sc= 1.28 USER MOD Set 3.1: A 28 GLN : amide:sc= 0 K(o=-0.1,f=-1.2) USER MOD Set 3.2: A 115 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.01) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc=-0.00119 X(o=-0.0012,f=-0.0011) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.245 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0165 X(o=-0.017,f=0) USER MOD Single : A 29 SER OG : rot -64:sc= 0.486 USER MOD Single : A 30 CYS SG : rot -20:sc= 0.581 USER MOD Single : A 31 ASN : amide:sc= -0.0783 X(o=-0.078,f=-0.14) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.252 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -1.06 K(o=-1.1,f=-3.3) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN :FLIP amide:sc= 1.06 F(o=-0.33,f=1.1) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -132:sc= -1.35 (180deg=-5.96!) USER MOD Single : A 68 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.32) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= -0.441 USER MOD Single : A 86 LYS NZ :NH3+ 152:sc= 0 (180deg=-0.393) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 CYS SG : rot 92:sc= -0.0725 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot 150:sc= -0.982 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0109 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -66:sc= 1.21 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=-0.07) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.8!) 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= -0.652 K(o=-0.65,f=-1.6!) USER MOD Single : A 121 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 SER OG : rot 69:sc= 0.927 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 10.570 13.507 4.412 1.00 73.24 N ATOM 136 CA ALA A 10 9.984 13.987 5.658 1.00 43.21 C ATOM 137 C ALA A 10 9.588 12.824 6.560 1.00 35.32 C ATOM 138 O ALA A 10 8.622 12.917 7.320 1.00 0.34 O ATOM 139 CB ALA A 10 8.779 14.869 5.368 1.00 34.33 C ATOM 0 HA ALA A 10 10.735 14.579 6.182 1.00 43.21 H new ATOM 0 HB1 ALA A 10 8.351 15.221 6.307 1.00 34.33 H new ATOM 0 HB2 ALA A 10 9.090 15.724 4.768 1.00 34.33 H new ATOM 0 HB3 ALA A 10 8.031 14.295 4.821 1.00 34.33 H new ATOM 145 N TYR A 11 10.338 11.731 6.474 1.00 70.31 N ATOM 146 CA TYR A 11 10.062 10.549 7.282 1.00 24.01 C ATOM 147 C TYR A 11 11.292 10.140 8.086 1.00 5.10 C ATOM 148 O TYR A 11 12.423 10.509 7.769 1.00 54.25 O ATOM 149 CB TYR A 11 9.612 9.390 6.391 1.00 24.33 C ATOM 150 CG TYR A 11 8.126 9.116 6.458 1.00 51.44 C ATOM 151 CD1 TYR A 11 7.202 10.118 6.190 1.00 12.24 C ATOM 152 CD2 TYR A 11 7.648 7.854 6.791 1.00 71.23 C ATOM 153 CE1 TYR A 11 5.844 9.872 6.251 1.00 71.21 C ATOM 154 CE2 TYR A 11 6.291 7.599 6.853 1.00 52.21 C ATOM 155 CZ TYR A 11 5.394 8.612 6.583 1.00 5.45 C ATOM 156 OH TYR A 11 4.042 8.361 6.645 1.00 40.53 O ATOM 0 H TYR A 11 11.142 11.639 5.853 1.00 70.31 H new ATOM 0 HA TYR A 11 9.260 10.795 7.979 1.00 24.01 H new ATOM 0 HB2 TYR A 11 9.886 9.608 5.359 1.00 24.33 H new ATOM 0 HB3 TYR A 11 10.153 8.489 6.681 1.00 24.33 H new ATOM 0 HD1 TYR A 11 7.551 11.106 5.930 1.00 12.24 H new ATOM 0 HD2 TYR A 11 8.348 7.060 7.005 1.00 71.23 H new ATOM 0 HE1 TYR A 11 5.139 10.662 6.040 1.00 71.21 H new ATOM 0 HE2 TYR A 11 5.935 6.613 7.111 1.00 52.21 H new ATOM 0 HH TYR A 11 3.894 7.424 6.891 1.00 40.53 H new ATOM 166 N PRO A 12 11.068 9.356 9.150 1.00 11.34 N ATOM 167 CA PRO A 12 9.725 8.910 9.536 1.00 73.01 C ATOM 168 C PRO A 12 8.867 10.051 10.073 1.00 44.23 C ATOM 169 O PRO A 12 9.372 11.134 10.371 1.00 32.00 O ATOM 170 CB PRO A 12 9.996 7.882 10.637 1.00 12.53 C ATOM 171 CG PRO A 12 11.317 8.275 11.206 1.00 4.54 C ATOM 172 CD PRO A 12 12.106 8.845 10.061 1.00 44.52 C ATOM 0 HA PRO A 12 9.169 8.511 8.688 1.00 73.01 H new ATOM 0 HB2 PRO A 12 9.216 7.902 11.398 1.00 12.53 H new ATOM 0 HB3 PRO A 12 10.024 6.869 10.235 1.00 12.53 H new ATOM 0 HG2 PRO A 12 11.196 9.010 12.001 1.00 4.54 H new ATOM 0 HG3 PRO A 12 11.826 7.415 11.641 1.00 4.54 H new ATOM 0 HD2 PRO A 12 12.777 9.638 10.391 1.00 44.52 H new ATOM 0 HD3 PRO A 12 12.723 8.085 9.581 1.00 44.52 H new ATOM 180 N LEU A 13 7.568 9.802 10.191 1.00 14.01 N ATOM 181 CA LEU A 13 6.639 10.809 10.692 1.00 41.01 C ATOM 182 C LEU A 13 5.629 10.189 11.653 1.00 13.50 C ATOM 183 O LEU A 13 4.843 9.323 11.269 1.00 44.11 O ATOM 184 CB LEU A 13 5.907 11.480 9.528 1.00 34.15 C ATOM 185 CG LEU A 13 4.877 12.544 9.908 1.00 72.23 C ATOM 186 CD1 LEU A 13 5.450 13.938 9.700 1.00 34.21 C ATOM 187 CD2 LEU A 13 3.601 12.365 9.098 1.00 51.24 C ATOM 0 H LEU A 13 7.134 8.912 9.947 1.00 14.01 H new ATOM 0 HA LEU A 13 7.214 11.560 11.234 1.00 41.01 H new ATOM 0 HB2 LEU A 13 6.649 11.938 8.874 1.00 34.15 H new ATOM 0 HB3 LEU A 13 5.404 10.707 8.947 1.00 34.15 H new ATOM 0 HG LEU A 13 4.633 12.426 10.964 1.00 72.23 H new ATOM 0 HD11 LEU A 13 4.704 14.683 9.975 1.00 34.21 H new ATOM 0 HD12 LEU A 13 6.335 14.064 10.323 1.00 34.21 H new ATOM 0 HD13 LEU A 13 5.722 14.067 8.652 1.00 34.21 H new ATOM 0 HD21 LEU A 13 2.879 13.131 9.382 1.00 51.24 H new ATOM 0 HD22 LEU A 13 3.828 12.456 8.036 1.00 51.24 H new ATOM 0 HD23 LEU A 13 3.180 11.379 9.295 1.00 51.24 H new ATOM 199 N ALA A 14 5.656 10.639 12.903 1.00 74.22 N ATOM 200 CA ALA A 14 4.740 10.131 13.918 1.00 44.11 C ATOM 201 C ALA A 14 3.366 10.781 13.792 1.00 3.21 C ATOM 202 O ALA A 14 3.237 12.003 13.869 1.00 45.43 O ATOM 203 CB ALA A 14 5.312 10.365 15.308 1.00 33.30 C ATOM 0 H ALA A 14 6.302 11.354 13.238 1.00 74.22 H new ATOM 0 HA ALA A 14 4.621 9.059 13.762 1.00 44.11 H new ATOM 0 HB1 ALA A 14 4.618 9.981 16.056 1.00 33.30 H new ATOM 0 HB2 ALA A 14 6.267 9.848 15.400 1.00 33.30 H new ATOM 0 HB3 ALA A 14 5.461 11.433 15.465 1.00 33.30 H new ATOM 209 N ASP A 15 2.343 9.958 13.597 1.00 2.54 N ATOM 210 CA ASP A 15 0.978 10.452 13.461 1.00 31.30 C ATOM 211 C ASP A 15 0.589 11.311 14.661 1.00 24.10 C ATOM 212 O ASP A 15 1.183 11.202 15.732 1.00 71.51 O ATOM 213 CB ASP A 15 0.001 9.284 13.316 1.00 43.51 C ATOM 214 CG ASP A 15 0.119 8.287 14.453 1.00 24.43 C ATOM 215 OD1 ASP A 15 0.797 8.604 15.452 1.00 31.35 O ATOM 216 OD2 ASP A 15 -0.466 7.189 14.341 1.00 13.43 O ATOM 0 H ASP A 15 2.433 8.944 13.529 1.00 2.54 H new ATOM 0 HA ASP A 15 0.929 11.069 12.564 1.00 31.30 H new ATOM 0 HB2 ASP A 15 -1.018 9.669 13.278 1.00 43.51 H new ATOM 0 HB3 ASP A 15 0.185 8.775 12.370 1.00 43.51 H new ATOM 221 N ALA A 16 -0.411 12.165 14.470 1.00 72.13 N ATOM 222 CA ALA A 16 -0.880 13.041 15.537 1.00 43.24 C ATOM 223 C ALA A 16 -1.184 12.250 16.804 1.00 4.42 C ATOM 224 O ALA A 16 -1.004 12.747 17.917 1.00 22.44 O ATOM 225 CB ALA A 16 -2.112 13.811 15.084 1.00 13.21 C ATOM 0 H ALA A 16 -0.912 12.269 13.587 1.00 72.13 H new ATOM 0 HA ALA A 16 -0.085 13.751 15.766 1.00 43.24 H new ATOM 0 HB1 ALA A 16 -2.452 14.461 15.890 1.00 13.21 H new ATOM 0 HB2 ALA A 16 -1.863 14.415 14.211 1.00 13.21 H new ATOM 0 HB3 ALA A 16 -2.905 13.109 14.825 1.00 13.21 H new ATOM 231 N HIS A 17 -1.647 11.016 16.629 1.00 64.23 N ATOM 232 CA HIS A 17 -1.977 10.155 17.760 1.00 51.15 C ATOM 233 C HIS A 17 -0.773 9.985 18.682 1.00 62.32 C ATOM 234 O HIS A 17 -0.913 9.966 19.906 1.00 2.24 O ATOM 235 CB HIS A 17 -2.452 8.789 17.266 1.00 24.21 C ATOM 236 CG HIS A 17 -3.240 8.025 18.286 1.00 64.10 C ATOM 237 ND1 HIS A 17 -4.599 7.815 18.184 1.00 62.41 N ATOM 238 CD2 HIS A 17 -2.853 7.418 19.431 1.00 51.42 C ATOM 239 CE1 HIS A 17 -5.013 7.114 19.224 1.00 44.00 C ATOM 240 NE2 HIS A 17 -3.972 6.859 19.995 1.00 75.41 N ATOM 0 H HIS A 17 -1.802 10.590 15.715 1.00 64.23 H new ATOM 0 HA HIS A 17 -2.781 10.629 18.324 1.00 51.15 H new ATOM 0 HB2 HIS A 17 -3.064 8.927 16.374 1.00 24.21 H new ATOM 0 HB3 HIS A 17 -1.586 8.197 16.970 1.00 24.21 H new ATOM 0 HD2 HIS A 17 -1.849 7.380 19.828 1.00 51.42 H new ATOM 0 HE1 HIS A 17 -6.030 6.802 19.412 1.00 44.00 H new ATOM 0 HE2 HIS A 17 -3.996 6.332 20.868 1.00 75.41 H new ATOM 248 N LEU A 18 0.409 9.862 18.088 1.00 50.24 N ATOM 249 CA LEU A 18 1.638 9.693 18.855 1.00 14.03 C ATOM 250 C LEU A 18 2.218 11.045 19.260 1.00 41.21 C ATOM 251 O LEU A 18 2.794 11.188 20.339 1.00 51.20 O ATOM 252 CB LEU A 18 2.666 8.906 18.043 1.00 4.11 C ATOM 253 CG LEU A 18 2.540 7.383 18.094 1.00 51.33 C ATOM 254 CD1 LEU A 18 3.582 6.731 17.199 1.00 2.43 C ATOM 255 CD2 LEU A 18 2.677 6.885 19.526 1.00 51.42 C ATOM 0 H LEU A 18 0.542 9.876 17.077 1.00 50.24 H new ATOM 0 HA LEU A 18 1.398 9.136 19.761 1.00 14.03 H new ATOM 0 HB2 LEU A 18 2.595 9.221 17.002 1.00 4.11 H new ATOM 0 HB3 LEU A 18 3.662 9.180 18.392 1.00 4.11 H new ATOM 0 HG LEU A 18 1.552 7.106 17.727 1.00 51.33 H new ATOM 0 HD11 LEU A 18 3.477 5.647 17.248 1.00 2.43 H new ATOM 0 HD12 LEU A 18 3.438 7.063 16.171 1.00 2.43 H new ATOM 0 HD13 LEU A 18 4.579 7.014 17.535 1.00 2.43 H new ATOM 0 HD21 LEU A 18 2.585 5.799 19.544 1.00 51.42 H new ATOM 0 HD22 LEU A 18 3.652 7.173 19.920 1.00 51.42 H new ATOM 0 HD23 LEU A 18 1.893 7.326 20.141 1.00 51.42 H new ATOM 267 N THR A 19 2.060 12.036 18.388 1.00 2.25 N ATOM 268 CA THR A 19 2.566 13.376 18.653 1.00 51.22 C ATOM 269 C THR A 19 1.843 14.012 19.835 1.00 54.34 C ATOM 270 O THR A 19 2.429 14.792 20.588 1.00 51.11 O ATOM 271 CB THR A 19 2.416 14.288 17.421 1.00 15.41 C ATOM 272 OG1 THR A 19 2.372 13.497 16.229 1.00 45.44 O ATOM 273 CG2 THR A 19 3.567 15.278 17.337 1.00 74.33 C ATOM 0 H THR A 19 1.585 11.935 17.491 1.00 2.25 H new ATOM 0 HA THR A 19 3.625 13.273 18.891 1.00 51.22 H new ATOM 0 HB THR A 19 1.485 14.846 17.521 1.00 15.41 H new ATOM 0 HG1 THR A 19 2.275 14.084 15.450 1.00 45.44 H new ATOM 0 HG21 THR A 19 3.439 15.911 16.459 1.00 74.33 H new ATOM 0 HG22 THR A 19 3.579 15.898 18.233 1.00 74.33 H new ATOM 0 HG23 THR A 19 4.509 14.735 17.259 1.00 74.33 H new ATOM 281 N LYS A 20 0.568 13.677 19.993 1.00 4.43 N ATOM 282 CA LYS A 20 -0.236 14.213 21.085 1.00 22.12 C ATOM 283 C LYS A 20 0.421 13.933 22.432 1.00 72.12 C ATOM 284 O LYS A 20 0.550 14.827 23.271 1.00 25.44 O ATOM 285 CB LYS A 20 -1.641 13.610 21.055 1.00 33.32 C ATOM 286 CG LYS A 20 -2.613 14.373 20.171 1.00 41.00 C ATOM 287 CD LYS A 20 -3.669 15.092 20.993 1.00 52.53 C ATOM 288 CE LYS A 20 -4.273 16.258 20.227 1.00 74.53 C ATOM 289 NZ LYS A 20 -5.621 16.623 20.745 1.00 52.24 N ATOM 0 H LYS A 20 0.068 13.036 19.378 1.00 4.43 H new ATOM 0 HA LYS A 20 -0.309 15.293 20.954 1.00 22.12 H new ATOM 0 HB2 LYS A 20 -1.577 12.580 20.705 1.00 33.32 H new ATOM 0 HB3 LYS A 20 -2.035 13.578 22.071 1.00 33.32 H new ATOM 0 HG2 LYS A 20 -2.066 15.097 19.567 1.00 41.00 H new ATOM 0 HG3 LYS A 20 -3.097 13.682 19.480 1.00 41.00 H new ATOM 0 HD2 LYS A 20 -4.456 14.391 21.270 1.00 52.53 H new ATOM 0 HD3 LYS A 20 -3.225 15.455 21.920 1.00 52.53 H new ATOM 0 HE2 LYS A 20 -3.611 17.121 20.298 1.00 74.53 H new ATOM 0 HE3 LYS A 20 -4.348 15.999 19.171 1.00 74.53 H new ATOM 0 HZ1 LYS A 20 -5.999 17.422 20.197 1.00 52.24 H new ATOM 0 HZ2 LYS A 20 -6.260 15.808 20.654 1.00 52.24 H new ATOM 0 HZ3 LYS A 20 -5.546 16.895 21.746 1.00 52.24 H new ATOM 303 N LYS A 21 0.837 12.688 22.636 1.00 50.21 N ATOM 304 CA LYS A 21 1.483 12.289 23.880 1.00 74.42 C ATOM 305 C LYS A 21 2.923 12.790 23.930 1.00 32.12 C ATOM 306 O LYS A 21 3.414 13.195 24.985 1.00 45.12 O ATOM 307 CB LYS A 21 1.456 10.767 24.029 1.00 21.21 C ATOM 308 CG LYS A 21 0.166 10.238 24.632 1.00 31.05 C ATOM 309 CD LYS A 21 0.039 8.735 24.446 1.00 11.32 C ATOM 310 CE LYS A 21 -0.744 8.393 23.188 1.00 1.04 C ATOM 311 NZ LYS A 21 -2.189 8.179 23.476 1.00 30.03 N ATOM 0 H LYS A 21 0.738 11.936 21.954 1.00 50.21 H new ATOM 0 HA LYS A 21 0.931 12.738 24.706 1.00 74.42 H new ATOM 0 HB2 LYS A 21 1.603 10.312 23.050 1.00 21.21 H new ATOM 0 HB3 LYS A 21 2.293 10.456 24.654 1.00 21.21 H new ATOM 0 HG2 LYS A 21 0.135 10.478 25.695 1.00 31.05 H new ATOM 0 HG3 LYS A 21 -0.685 10.736 24.168 1.00 31.05 H new ATOM 0 HD2 LYS A 21 1.032 8.289 24.390 1.00 11.32 H new ATOM 0 HD3 LYS A 21 -0.457 8.301 25.314 1.00 11.32 H new ATOM 0 HE2 LYS A 21 -0.634 9.198 22.461 1.00 1.04 H new ATOM 0 HE3 LYS A 21 -0.327 7.494 22.734 1.00 1.04 H new ATOM 0 HZ1 LYS A 21 -2.688 7.948 22.593 1.00 30.03 H new ATOM 0 HZ2 LYS A 21 -2.296 7.394 24.150 1.00 30.03 H new ATOM 0 HZ3 LYS A 21 -2.593 9.045 23.886 1.00 30.03 H new ATOM 325 N LEU A 22 3.594 12.761 22.784 1.00 54.33 N ATOM 326 CA LEU A 22 4.979 13.214 22.697 1.00 60.32 C ATOM 327 C LEU A 22 5.100 14.677 23.109 1.00 63.51 C ATOM 328 O LEU A 22 5.999 15.049 23.864 1.00 13.42 O ATOM 329 CB LEU A 22 5.507 13.027 21.274 1.00 53.33 C ATOM 330 CG LEU A 22 6.840 13.709 20.959 1.00 0.34 C ATOM 331 CD1 LEU A 22 7.709 12.807 20.095 1.00 34.13 C ATOM 332 CD2 LEU A 22 6.606 15.046 20.271 1.00 11.52 C ATOM 0 H LEU A 22 3.203 12.429 21.903 1.00 54.33 H new ATOM 0 HA LEU A 22 5.577 12.613 23.382 1.00 60.32 H new ATOM 0 HB2 LEU A 22 5.614 11.959 21.085 1.00 53.33 H new ATOM 0 HB3 LEU A 22 4.757 13.400 20.577 1.00 53.33 H new ATOM 0 HG LEU A 22 7.363 13.893 21.897 1.00 0.34 H new ATOM 0 HD11 LEU A 22 8.653 13.308 19.881 1.00 34.13 H new ATOM 0 HD12 LEU A 22 7.905 11.875 20.625 1.00 34.13 H new ATOM 0 HD13 LEU A 22 7.192 12.591 19.160 1.00 34.13 H new ATOM 0 HD21 LEU A 22 7.565 15.517 20.055 1.00 11.52 H new ATOM 0 HD22 LEU A 22 6.062 14.886 19.340 1.00 11.52 H new ATOM 0 HD23 LEU A 22 6.023 15.695 20.925 1.00 11.52 H new ATOM 344 N LEU A 23 4.189 15.505 22.609 1.00 33.54 N ATOM 345 CA LEU A 23 4.191 16.929 22.927 1.00 11.23 C ATOM 346 C LEU A 23 4.157 17.150 24.436 1.00 63.12 C ATOM 347 O LEU A 23 4.689 18.139 24.940 1.00 70.31 O ATOM 348 CB LEU A 23 2.994 17.620 22.271 1.00 53.13 C ATOM 349 CG LEU A 23 3.325 18.661 21.200 1.00 34.24 C ATOM 350 CD1 LEU A 23 3.567 17.987 19.859 1.00 62.24 C ATOM 351 CD2 LEU A 23 2.205 19.685 21.090 1.00 64.42 C ATOM 0 H LEU A 23 3.439 15.215 21.981 1.00 33.54 H new ATOM 0 HA LEU A 23 5.112 17.362 22.536 1.00 11.23 H new ATOM 0 HB2 LEU A 23 2.359 16.856 21.823 1.00 53.13 H new ATOM 0 HB3 LEU A 23 2.407 18.104 23.051 1.00 53.13 H new ATOM 0 HG LEU A 23 4.238 19.180 21.493 1.00 34.24 H new ATOM 0 HD11 LEU A 23 3.801 18.743 19.109 1.00 62.24 H new ATOM 0 HD12 LEU A 23 4.402 17.292 19.947 1.00 62.24 H new ATOM 0 HD13 LEU A 23 2.672 17.443 19.559 1.00 62.24 H new ATOM 0 HD21 LEU A 23 2.456 20.418 20.324 1.00 64.42 H new ATOM 0 HD22 LEU A 23 1.277 19.181 20.820 1.00 64.42 H new ATOM 0 HD23 LEU A 23 2.078 20.190 22.048 1.00 64.42 H new ATOM 363 N ASP A 24 3.530 16.222 25.151 1.00 43.02 N ATOM 364 CA ASP A 24 3.429 16.314 26.602 1.00 41.31 C ATOM 365 C ASP A 24 4.791 16.101 27.256 1.00 5.12 C ATOM 366 O ASP A 24 5.059 16.617 28.342 1.00 12.14 O ATOM 367 CB ASP A 24 2.429 15.286 27.131 1.00 0.02 C ATOM 368 CG ASP A 24 1.663 15.791 28.338 1.00 34.40 C ATOM 369 OD1 ASP A 24 2.255 15.849 29.436 1.00 4.20 O ATOM 370 OD2 ASP A 24 0.470 16.128 28.186 1.00 65.41 O ATOM 0 H ASP A 24 3.084 15.398 24.749 1.00 43.02 H new ATOM 0 HA ASP A 24 3.077 17.314 26.854 1.00 41.31 H new ATOM 0 HB2 ASP A 24 1.725 15.028 26.340 1.00 0.02 H new ATOM 0 HB3 ASP A 24 2.959 14.372 27.397 1.00 0.02 H new ATOM 375 N LEU A 25 5.649 15.336 26.589 1.00 71.44 N ATOM 376 CA LEU A 25 6.984 15.053 27.105 1.00 63.41 C ATOM 377 C LEU A 25 7.766 16.343 27.330 1.00 30.23 C ATOM 378 O LEU A 25 8.474 16.486 28.326 1.00 51.41 O ATOM 379 CB LEU A 25 7.744 14.145 26.137 1.00 1.24 C ATOM 380 CG LEU A 25 8.745 13.179 26.770 1.00 3.45 C ATOM 381 CD1 LEU A 25 9.798 13.941 27.558 1.00 14.52 C ATOM 382 CD2 LEU A 25 8.028 12.178 27.665 1.00 3.34 C ATOM 0 H LEU A 25 5.444 14.901 25.690 1.00 71.44 H new ATOM 0 HA LEU A 25 6.876 14.544 28.063 1.00 63.41 H new ATOM 0 HB2 LEU A 25 7.018 13.564 25.569 1.00 1.24 H new ATOM 0 HB3 LEU A 25 8.277 14.773 25.423 1.00 1.24 H new ATOM 0 HG LEU A 25 9.245 12.630 25.972 1.00 3.45 H new ATOM 0 HD11 LEU A 25 10.502 13.236 28.001 1.00 14.52 H new ATOM 0 HD12 LEU A 25 10.333 14.617 26.891 1.00 14.52 H new ATOM 0 HD13 LEU A 25 9.315 14.517 28.348 1.00 14.52 H new ATOM 0 HD21 LEU A 25 8.756 11.498 28.107 1.00 3.34 H new ATOM 0 HD22 LEU A 25 7.501 12.710 28.457 1.00 3.34 H new ATOM 0 HD23 LEU A 25 7.312 11.608 27.073 1.00 3.34 H new ATOM 394 N VAL A 26 7.630 17.282 26.399 1.00 34.23 N ATOM 395 CA VAL A 26 8.320 18.562 26.498 1.00 74.34 C ATOM 396 C VAL A 26 8.058 19.225 27.846 1.00 62.41 C ATOM 397 O VAL A 26 8.990 19.616 28.548 1.00 44.14 O ATOM 398 CB VAL A 26 7.888 19.522 25.374 1.00 24.05 C ATOM 399 CG1 VAL A 26 8.635 20.841 25.480 1.00 42.45 C ATOM 400 CG2 VAL A 26 8.111 18.880 24.012 1.00 65.44 C ATOM 0 H VAL A 26 7.048 17.180 25.568 1.00 34.23 H new ATOM 0 HA VAL A 26 9.386 18.355 26.399 1.00 74.34 H new ATOM 0 HB VAL A 26 6.823 19.727 25.484 1.00 24.05 H new ATOM 0 HG11 VAL A 26 8.316 21.505 24.677 1.00 42.45 H new ATOM 0 HG12 VAL A 26 8.419 21.305 26.442 1.00 42.45 H new ATOM 0 HG13 VAL A 26 9.707 20.660 25.397 1.00 42.45 H new ATOM 0 HG21 VAL A 26 7.801 19.571 23.229 1.00 65.44 H new ATOM 0 HG22 VAL A 26 9.168 18.644 23.890 1.00 65.44 H new ATOM 0 HG23 VAL A 26 7.524 17.964 23.941 1.00 65.44 H new ATOM 410 N GLN A 27 6.783 19.349 28.200 1.00 71.03 N ATOM 411 CA GLN A 27 6.398 19.965 29.464 1.00 61.43 C ATOM 412 C GLN A 27 7.058 19.254 30.641 1.00 43.21 C ATOM 413 O GLN A 27 7.343 19.868 31.669 1.00 3.30 O ATOM 414 CB GLN A 27 4.878 19.941 29.627 1.00 25.25 C ATOM 415 CG GLN A 27 4.383 20.699 30.847 1.00 54.15 C ATOM 416 CD GLN A 27 3.732 22.021 30.488 1.00 33.24 C ATOM 417 OE1 GLN A 27 2.550 22.238 30.763 1.00 3.44 O ATOM 418 NE2 GLN A 27 4.499 22.912 29.873 1.00 31.21 N ATOM 0 H GLN A 27 5.999 19.031 27.630 1.00 71.03 H new ATOM 0 HA GLN A 27 6.738 21.000 29.451 1.00 61.43 H new ATOM 0 HB2 GLN A 27 4.419 20.367 28.735 1.00 25.25 H new ATOM 0 HB3 GLN A 27 4.545 18.905 29.694 1.00 25.25 H new ATOM 0 HG2 GLN A 27 3.667 20.081 31.388 1.00 54.15 H new ATOM 0 HG3 GLN A 27 5.220 20.882 31.521 1.00 54.15 H new ATOM 0 HE21 GLN A 27 5.473 22.690 29.665 1.00 31.21 H new ATOM 0 HE22 GLN A 27 4.115 23.819 29.608 1.00 31.21 H new ATOM 427 N GLN A 28 7.299 17.957 30.481 1.00 10.52 N ATOM 428 CA GLN A 28 7.926 17.162 31.531 1.00 10.33 C ATOM 429 C GLN A 28 9.418 17.459 31.621 1.00 53.41 C ATOM 430 O GLN A 28 10.011 17.391 32.699 1.00 22.22 O ATOM 431 CB GLN A 28 7.705 15.670 31.271 1.00 51.35 C ATOM 432 CG GLN A 28 6.239 15.277 31.188 1.00 63.33 C ATOM 433 CD GLN A 28 5.995 13.843 31.612 1.00 33.34 C ATOM 434 OE1 GLN A 28 6.204 12.910 30.837 1.00 74.11 O ATOM 435 NE2 GLN A 28 5.548 13.660 32.850 1.00 44.31 N ATOM 0 H GLN A 28 7.070 17.434 29.635 1.00 10.52 H new ATOM 0 HA GLN A 28 7.463 17.431 32.481 1.00 10.33 H new ATOM 0 HB2 GLN A 28 8.199 15.395 30.339 1.00 51.35 H new ATOM 0 HB3 GLN A 28 8.182 15.097 32.066 1.00 51.35 H new ATOM 0 HG2 GLN A 28 5.652 15.944 31.820 1.00 63.33 H new ATOM 0 HG3 GLN A 28 5.887 15.415 30.166 1.00 63.33 H new ATOM 0 HE21 GLN A 28 5.389 14.463 33.459 1.00 44.31 H new ATOM 0 HE22 GLN A 28 5.364 12.717 33.192 1.00 44.31 H new ATOM 444 N SER A 29 10.021 17.788 30.483 1.00 51.41 N ATOM 445 CA SER A 29 11.447 18.092 30.434 1.00 0.35 C ATOM 446 C SER A 29 11.741 19.429 31.107 1.00 3.10 C ATOM 447 O SER A 29 12.605 19.520 31.980 1.00 63.10 O ATOM 448 CB SER A 29 11.934 18.119 28.983 1.00 11.01 C ATOM 449 OG SER A 29 13.345 18.228 28.922 1.00 63.35 O ATOM 0 H SER A 29 9.545 17.851 29.583 1.00 51.41 H new ATOM 0 HA SER A 29 11.980 17.309 30.974 1.00 0.35 H new ATOM 0 HB2 SER A 29 11.614 17.211 28.471 1.00 11.01 H new ATOM 0 HB3 SER A 29 11.478 18.959 28.458 1.00 11.01 H new ATOM 0 HG SER A 29 13.623 19.089 29.299 1.00 63.35 H new ATOM 455 N CYS A 30 11.018 20.464 30.694 1.00 5.33 N ATOM 456 CA CYS A 30 11.201 21.798 31.255 1.00 40.20 C ATOM 457 C CYS A 30 10.885 21.808 32.747 1.00 4.32 C ATOM 458 O CYS A 30 11.412 22.628 33.497 1.00 21.22 O ATOM 459 CB CYS A 30 10.313 22.807 30.525 1.00 72.01 C ATOM 460 SG CYS A 30 8.546 22.601 30.845 1.00 4.21 S ATOM 0 H CYS A 30 10.299 20.405 29.972 1.00 5.33 H new ATOM 0 HA CYS A 30 12.245 22.082 31.122 1.00 40.20 H new ATOM 0 HB2 CYS A 30 10.609 23.814 30.818 1.00 72.01 H new ATOM 0 HB3 CYS A 30 10.490 22.722 29.453 1.00 72.01 H new ATOM 0 HG CYS A 30 8.323 21.400 31.291 1.00 4.21 H new ATOM 466 N ASN A 31 10.020 20.891 33.169 1.00 72.21 N ATOM 467 CA ASN A 31 9.632 20.796 34.571 1.00 1.25 C ATOM 468 C ASN A 31 10.767 20.223 35.413 1.00 11.53 C ATOM 469 O ASN A 31 10.811 20.413 36.629 1.00 10.14 O ATOM 470 CB ASN A 31 8.383 19.924 34.719 1.00 64.53 C ATOM 471 CG ASN A 31 8.035 19.652 36.169 1.00 50.02 C ATOM 472 OD1 ASN A 31 7.973 20.570 36.987 1.00 63.14 O ATOM 473 ND2 ASN A 31 7.805 18.385 36.495 1.00 5.30 N ATOM 0 H ASN A 31 9.575 20.204 32.560 1.00 72.21 H new ATOM 0 HA ASN A 31 9.410 21.802 34.928 1.00 1.25 H new ATOM 0 HB2 ASN A 31 7.541 20.416 34.232 1.00 64.53 H new ATOM 0 HB3 ASN A 31 8.541 18.977 34.203 1.00 64.53 H new ATOM 0 HD21 ASN A 31 7.566 18.141 37.456 1.00 5.30 H new ATOM 0 HD22 ASN A 31 7.867 17.656 35.784 1.00 5.30 H new ATOM 480 N TYR A 32 11.685 19.519 34.758 1.00 72.41 N ATOM 481 CA TYR A 32 12.820 18.916 35.445 1.00 54.01 C ATOM 482 C TYR A 32 14.044 19.824 35.376 1.00 44.01 C ATOM 483 O TYR A 32 15.182 19.364 35.486 1.00 25.51 O ATOM 484 CB TYR A 32 13.148 17.553 34.835 1.00 22.14 C ATOM 485 CG TYR A 32 12.984 16.402 35.802 1.00 10.13 C ATOM 486 CD1 TYR A 32 11.722 15.937 36.153 1.00 61.40 C ATOM 487 CD2 TYR A 32 14.091 15.777 36.363 1.00 24.24 C ATOM 488 CE1 TYR A 32 11.568 14.886 37.036 1.00 73.30 C ATOM 489 CE2 TYR A 32 13.947 14.725 37.246 1.00 31.11 C ATOM 490 CZ TYR A 32 12.683 14.284 37.580 1.00 4.22 C ATOM 491 OH TYR A 32 12.534 13.235 38.459 1.00 43.12 O ATOM 0 H TYR A 32 11.664 19.352 33.752 1.00 72.41 H new ATOM 0 HA TYR A 32 12.548 18.782 36.492 1.00 54.01 H new ATOM 0 HB2 TYR A 32 12.504 17.386 33.972 1.00 22.14 H new ATOM 0 HB3 TYR A 32 14.175 17.566 34.469 1.00 22.14 H new ATOM 0 HD1 TYR A 32 10.847 16.406 35.728 1.00 61.40 H new ATOM 0 HD2 TYR A 32 15.082 16.120 36.104 1.00 24.24 H new ATOM 0 HE1 TYR A 32 10.580 14.538 37.299 1.00 73.30 H new ATOM 0 HE2 TYR A 32 14.818 14.250 37.672 1.00 31.11 H new ATOM 0 HH TYR A 32 13.417 12.923 38.749 1.00 43.12 H new ATOM 501 N LYS A 33 13.805 21.118 35.192 1.00 34.54 N ATOM 502 CA LYS A 33 14.885 22.093 35.109 1.00 21.45 C ATOM 503 C LYS A 33 15.850 21.741 33.982 1.00 62.53 C ATOM 504 O LYS A 33 17.045 22.019 34.067 1.00 72.43 O ATOM 505 CB LYS A 33 15.639 22.163 36.438 1.00 41.05 C ATOM 506 CG LYS A 33 14.738 22.383 37.640 1.00 24.45 C ATOM 507 CD LYS A 33 15.294 23.449 38.568 1.00 53.24 C ATOM 508 CE LYS A 33 14.946 23.160 40.020 1.00 62.04 C ATOM 509 NZ LYS A 33 16.077 23.479 40.936 1.00 64.21 N ATOM 0 H LYS A 33 12.871 21.516 35.097 1.00 34.54 H new ATOM 0 HA LYS A 33 14.446 23.068 34.896 1.00 21.45 H new ATOM 0 HB2 LYS A 33 16.197 21.237 36.578 1.00 41.05 H new ATOM 0 HB3 LYS A 33 16.369 22.971 36.389 1.00 41.05 H new ATOM 0 HG2 LYS A 33 13.744 22.677 37.302 1.00 24.45 H new ATOM 0 HG3 LYS A 33 14.625 21.447 38.187 1.00 24.45 H new ATOM 0 HD2 LYS A 33 16.377 23.502 38.456 1.00 53.24 H new ATOM 0 HD3 LYS A 33 14.896 24.423 38.284 1.00 53.24 H new ATOM 0 HE2 LYS A 33 14.071 23.743 40.307 1.00 62.04 H new ATOM 0 HE3 LYS A 33 14.678 22.109 40.127 1.00 62.04 H new ATOM 0 HZ1 LYS A 33 15.800 23.268 41.916 1.00 64.21 H new ATOM 0 HZ2 LYS A 33 16.905 22.904 40.679 1.00 64.21 H new ATOM 0 HZ3 LYS A 33 16.317 24.488 40.853 1.00 64.21 H new ATOM 523 N GLN A 34 15.322 21.129 32.926 1.00 60.54 N ATOM 524 CA GLN A 34 16.138 20.741 31.782 1.00 2.21 C ATOM 525 C GLN A 34 15.407 21.019 30.473 1.00 3.41 C ATOM 526 O GLN A 34 14.225 20.702 30.330 1.00 74.35 O ATOM 527 CB GLN A 34 16.505 19.258 31.870 1.00 73.32 C ATOM 528 CG GLN A 34 15.314 18.351 32.132 1.00 34.11 C ATOM 529 CD GLN A 34 15.721 16.918 32.412 1.00 63.11 C ATOM 530 OE1 GLN A 34 16.788 16.661 32.972 1.00 60.55 O ATOM 531 NE2 GLN A 34 14.872 15.974 32.022 1.00 52.20 N ATOM 0 H GLN A 34 14.334 20.892 32.840 1.00 60.54 H new ATOM 0 HA GLN A 34 17.051 21.336 31.801 1.00 2.21 H new ATOM 0 HB2 GLN A 34 16.984 18.955 30.939 1.00 73.32 H new ATOM 0 HB3 GLN A 34 17.238 19.120 32.665 1.00 73.32 H new ATOM 0 HG2 GLN A 34 14.749 18.736 32.981 1.00 34.11 H new ATOM 0 HG3 GLN A 34 14.649 18.373 31.269 1.00 34.11 H new ATOM 0 HE21 GLN A 34 13.999 16.232 31.562 1.00 52.20 H new ATOM 0 HE22 GLN A 34 15.093 14.991 32.183 1.00 52.20 H new ATOM 540 N LEU A 35 16.117 21.610 29.518 1.00 54.24 N ATOM 541 CA LEU A 35 15.536 21.932 28.219 1.00 12.21 C ATOM 542 C LEU A 35 16.617 22.354 27.230 1.00 25.34 C ATOM 543 O LEU A 35 17.605 22.984 27.606 1.00 25.50 O ATOM 544 CB LEU A 35 14.498 23.046 28.365 1.00 0.45 C ATOM 545 CG LEU A 35 13.209 22.870 27.561 1.00 31.11 C ATOM 546 CD1 LEU A 35 13.502 22.893 26.070 1.00 61.23 C ATOM 547 CD2 LEU A 35 12.511 21.574 27.949 1.00 33.12 C ATOM 0 H LEU A 35 17.096 21.876 29.619 1.00 54.24 H new ATOM 0 HA LEU A 35 15.047 21.037 27.834 1.00 12.21 H new ATOM 0 HB2 LEU A 35 14.236 23.136 29.419 1.00 0.45 H new ATOM 0 HB3 LEU A 35 14.961 23.988 28.070 1.00 0.45 H new ATOM 0 HG LEU A 35 12.543 23.702 27.792 1.00 31.11 H new ATOM 0 HD11 LEU A 35 12.573 22.766 25.515 1.00 61.23 H new ATOM 0 HD12 LEU A 35 13.957 23.847 25.803 1.00 61.23 H new ATOM 0 HD13 LEU A 35 14.187 22.082 25.821 1.00 61.23 H new ATOM 0 HD21 LEU A 35 11.596 21.465 27.367 1.00 33.12 H new ATOM 0 HD22 LEU A 35 13.171 20.731 27.748 1.00 33.12 H new ATOM 0 HD23 LEU A 35 12.265 21.597 29.011 1.00 33.12 H new ATOM 559 N ARG A 36 16.419 22.006 25.962 1.00 2.24 N ATOM 560 CA ARG A 36 17.376 22.349 24.917 1.00 72.13 C ATOM 561 C ARG A 36 16.659 22.699 23.617 1.00 23.30 C ATOM 562 O ARG A 36 16.012 21.849 23.003 1.00 55.35 O ATOM 563 CB ARG A 36 18.345 21.189 24.681 1.00 71.43 C ATOM 564 CG ARG A 36 19.716 21.630 24.197 1.00 62.25 C ATOM 565 CD ARG A 36 20.630 21.988 25.360 1.00 32.43 C ATOM 566 NE ARG A 36 22.040 21.925 24.988 1.00 32.23 N ATOM 567 CZ ARG A 36 23.018 22.441 25.723 1.00 54.01 C ATOM 568 NH1 ARG A 36 22.740 23.057 26.864 1.00 11.14 N ATOM 569 NH2 ARG A 36 24.278 22.343 25.319 1.00 64.32 N ATOM 0 H ARG A 36 15.605 21.487 25.634 1.00 2.24 H new ATOM 0 HA ARG A 36 17.939 23.222 25.248 1.00 72.13 H new ATOM 0 HB2 ARG A 36 18.460 20.628 25.608 1.00 71.43 H new ATOM 0 HB3 ARG A 36 17.912 20.508 23.948 1.00 71.43 H new ATOM 0 HG2 ARG A 36 20.169 20.832 23.609 1.00 62.25 H new ATOM 0 HG3 ARG A 36 19.610 22.491 23.537 1.00 62.25 H new ATOM 0 HD2 ARG A 36 20.393 22.992 25.712 1.00 32.43 H new ATOM 0 HD3 ARG A 36 20.444 21.307 26.190 1.00 32.43 H new ATOM 0 HE ARG A 36 22.288 21.459 24.115 1.00 32.23 H new ATOM 0 HH11 ARG A 36 21.773 23.135 27.179 1.00 11.14 H new ATOM 0 HH12 ARG A 36 23.493 23.452 27.427 1.00 11.14 H new ATOM 0 HH21 ARG A 36 24.497 21.870 24.442 1.00 64.32 H new ATOM 0 HH22 ARG A 36 25.028 22.740 25.885 1.00 64.32 H new ATOM 583 N LYS A 37 16.776 23.956 23.202 1.00 4.52 N ATOM 584 CA LYS A 37 16.141 24.419 21.975 1.00 24.44 C ATOM 585 C LYS A 37 17.166 25.037 21.030 1.00 73.01 C ATOM 586 O LYS A 37 17.492 26.219 21.139 1.00 23.02 O ATOM 587 CB LYS A 37 15.047 25.441 22.296 1.00 32.21 C ATOM 588 CG LYS A 37 14.017 24.935 23.291 1.00 74.54 C ATOM 589 CD LYS A 37 13.727 25.969 24.367 1.00 71.31 C ATOM 590 CE LYS A 37 14.939 26.203 25.255 1.00 50.12 C ATOM 591 NZ LYS A 37 14.616 27.077 26.417 1.00 14.12 N ATOM 0 H LYS A 37 17.306 24.673 23.699 1.00 4.52 H new ATOM 0 HA LYS A 37 15.692 23.557 21.482 1.00 24.44 H new ATOM 0 HB2 LYS A 37 15.510 26.344 22.693 1.00 32.21 H new ATOM 0 HB3 LYS A 37 14.541 25.721 21.372 1.00 32.21 H new ATOM 0 HG2 LYS A 37 13.095 24.686 22.766 1.00 74.54 H new ATOM 0 HG3 LYS A 37 14.378 24.017 23.755 1.00 74.54 H new ATOM 0 HD2 LYS A 37 13.430 26.908 23.900 1.00 71.31 H new ATOM 0 HD3 LYS A 37 12.887 25.636 24.976 1.00 71.31 H new ATOM 0 HE2 LYS A 37 15.316 25.246 25.615 1.00 50.12 H new ATOM 0 HE3 LYS A 37 15.736 26.659 24.668 1.00 50.12 H new ATOM 0 HZ1 LYS A 37 15.468 27.212 26.997 1.00 14.12 H new ATOM 0 HZ2 LYS A 37 14.281 28.000 26.075 1.00 14.12 H new ATOM 0 HZ3 LYS A 37 13.873 26.630 26.992 1.00 14.12 H new ATOM 605 N GLY A 38 17.671 24.230 20.102 1.00 43.31 N ATOM 606 CA GLY A 38 18.654 24.717 19.151 1.00 23.32 C ATOM 607 C GLY A 38 18.976 23.697 18.076 1.00 33.23 C ATOM 608 O GLY A 38 19.048 22.499 18.351 1.00 64.34 O ATOM 0 H GLY A 38 17.417 23.248 19.992 1.00 43.31 H new ATOM 0 HA2 GLY A 38 18.282 25.628 18.683 1.00 23.32 H new ATOM 0 HA3 GLY A 38 19.568 24.982 19.682 1.00 23.32 H new ATOM 612 N ALA A 39 19.168 24.171 16.850 1.00 74.44 N ATOM 613 CA ALA A 39 19.484 23.292 15.731 1.00 73.40 C ATOM 614 C ALA A 39 20.881 22.699 15.877 1.00 14.23 C ATOM 615 O ALA A 39 21.040 21.484 15.998 1.00 30.34 O ATOM 616 CB ALA A 39 19.364 24.048 14.416 1.00 51.15 C ATOM 0 H ALA A 39 19.110 25.160 16.606 1.00 74.44 H new ATOM 0 HA ALA A 39 18.767 22.471 15.732 1.00 73.40 H new ATOM 0 HB1 ALA A 39 19.603 23.379 13.589 1.00 51.15 H new ATOM 0 HB2 ALA A 39 18.345 24.418 14.301 1.00 51.15 H new ATOM 0 HB3 ALA A 39 20.058 24.889 14.415 1.00 51.15 H new ATOM 622 N ASN A 40 21.890 23.563 15.867 1.00 44.32 N ATOM 623 CA ASN A 40 23.274 23.123 15.997 1.00 43.31 C ATOM 624 C ASN A 40 23.573 22.680 17.425 1.00 14.13 C ATOM 625 O ASN A 40 24.376 21.776 17.650 1.00 53.51 O ATOM 626 CB ASN A 40 24.230 24.246 15.589 1.00 24.33 C ATOM 627 CG ASN A 40 25.464 23.727 14.877 1.00 11.14 C ATOM 628 OD1 ASN A 40 26.272 23.005 15.461 1.00 75.02 O ATOM 629 ND2 ASN A 40 25.614 24.093 13.610 1.00 63.22 N ATOM 0 H ASN A 40 21.775 24.572 15.770 1.00 44.32 H new ATOM 0 HA ASN A 40 23.421 22.271 15.333 1.00 43.31 H new ATOM 0 HB2 ASN A 40 23.706 24.946 14.938 1.00 24.33 H new ATOM 0 HB3 ASN A 40 24.533 24.801 16.477 1.00 24.33 H new ATOM 0 HD21 ASN A 40 26.425 23.774 13.080 1.00 63.22 H new ATOM 0 HD22 ASN A 40 24.918 24.693 13.167 1.00 63.22 H new ATOM 636 N GLU A 41 22.919 23.324 18.387 1.00 1.12 N ATOM 637 CA GLU A 41 23.115 22.997 19.794 1.00 14.31 C ATOM 638 C GLU A 41 22.862 21.513 20.048 1.00 15.41 C ATOM 639 O GLU A 41 23.429 20.925 20.969 1.00 31.25 O ATOM 640 CB GLU A 41 22.187 23.841 20.672 1.00 3.35 C ATOM 641 CG GLU A 41 22.768 25.194 21.045 1.00 13.52 C ATOM 642 CD GLU A 41 21.710 26.276 21.143 1.00 22.31 C ATOM 643 OE1 GLU A 41 21.239 26.742 20.085 1.00 62.34 O ATOM 644 OE2 GLU A 41 21.353 26.656 22.278 1.00 3.52 O ATOM 0 H GLU A 41 22.249 24.075 18.217 1.00 1.12 H new ATOM 0 HA GLU A 41 24.150 23.221 20.051 1.00 14.31 H new ATOM 0 HB2 GLU A 41 21.243 23.992 20.148 1.00 3.35 H new ATOM 0 HB3 GLU A 41 21.961 23.288 21.584 1.00 3.35 H new ATOM 0 HG2 GLU A 41 23.288 25.111 22.000 1.00 13.52 H new ATOM 0 HG3 GLU A 41 23.511 25.484 20.302 1.00 13.52 H new ATOM 651 N ALA A 42 22.007 20.915 19.225 1.00 41.12 N ATOM 652 CA ALA A 42 21.680 19.501 19.358 1.00 64.35 C ATOM 653 C ALA A 42 22.938 18.640 19.315 1.00 42.32 C ATOM 654 O ALA A 42 22.967 17.535 19.857 1.00 10.01 O ATOM 655 CB ALA A 42 20.712 19.078 18.264 1.00 25.52 C ATOM 0 H ALA A 42 21.528 21.388 18.459 1.00 41.12 H new ATOM 0 HA ALA A 42 21.203 19.354 20.327 1.00 64.35 H new ATOM 0 HB1 ALA A 42 20.477 18.020 18.376 1.00 25.52 H new ATOM 0 HB2 ALA A 42 19.796 19.664 18.342 1.00 25.52 H new ATOM 0 HB3 ALA A 42 21.169 19.247 17.289 1.00 25.52 H new ATOM 661 N THR A 43 23.979 19.153 18.666 1.00 72.24 N ATOM 662 CA THR A 43 25.240 18.431 18.550 1.00 1.22 C ATOM 663 C THR A 43 25.975 18.392 19.885 1.00 64.13 C ATOM 664 O THR A 43 26.787 17.499 20.133 1.00 32.40 O ATOM 665 CB THR A 43 26.157 19.067 17.489 1.00 71.32 C ATOM 666 OG1 THR A 43 26.556 20.377 17.909 1.00 62.14 O ATOM 667 CG2 THR A 43 25.451 19.153 16.144 1.00 33.42 C ATOM 0 H THR A 43 23.973 20.067 18.212 1.00 72.24 H new ATOM 0 HA THR A 43 24.995 17.414 18.243 1.00 1.22 H new ATOM 0 HB THR A 43 27.039 18.437 17.378 1.00 71.32 H new ATOM 0 HG1 THR A 43 25.796 20.991 17.830 1.00 62.14 H new ATOM 0 HG21 THR A 43 26.119 19.606 15.411 1.00 33.42 H new ATOM 0 HG22 THR A 43 25.174 18.152 15.814 1.00 33.42 H new ATOM 0 HG23 THR A 43 24.553 19.763 16.243 1.00 33.42 H new ATOM 675 N LYS A 44 25.688 19.366 20.742 1.00 10.00 N ATOM 676 CA LYS A 44 26.321 19.443 22.054 1.00 45.12 C ATOM 677 C LYS A 44 25.711 18.426 23.013 1.00 32.23 C ATOM 678 O LYS A 44 26.425 17.733 23.738 1.00 63.41 O ATOM 679 CB LYS A 44 26.178 20.854 22.629 1.00 33.25 C ATOM 680 CG LYS A 44 26.752 21.938 21.733 1.00 11.34 C ATOM 681 CD LYS A 44 27.534 22.966 22.533 1.00 24.25 C ATOM 682 CE LYS A 44 27.074 24.382 22.220 1.00 3.23 C ATOM 683 NZ LYS A 44 25.882 24.770 23.025 1.00 45.41 N ATOM 0 H LYS A 44 25.021 20.114 20.552 1.00 10.00 H new ATOM 0 HA LYS A 44 27.379 19.212 21.934 1.00 45.12 H new ATOM 0 HB2 LYS A 44 25.122 21.061 22.804 1.00 33.25 H new ATOM 0 HB3 LYS A 44 26.675 20.894 23.598 1.00 33.25 H new ATOM 0 HG2 LYS A 44 27.403 21.486 20.985 1.00 11.34 H new ATOM 0 HG3 LYS A 44 25.943 22.433 21.195 1.00 11.34 H new ATOM 0 HD2 LYS A 44 27.412 22.770 23.598 1.00 24.25 H new ATOM 0 HD3 LYS A 44 28.597 22.870 22.311 1.00 24.25 H new ATOM 0 HE2 LYS A 44 27.888 25.080 22.417 1.00 3.23 H new ATOM 0 HE3 LYS A 44 26.837 24.460 21.159 1.00 3.23 H new ATOM 0 HZ1 LYS A 44 25.600 25.741 22.782 1.00 45.41 H new ATOM 0 HZ2 LYS A 44 25.097 24.120 22.818 1.00 45.41 H new ATOM 0 HZ3 LYS A 44 26.116 24.720 24.037 1.00 45.41 H new ATOM 697 N THR A 45 24.384 18.341 23.012 1.00 2.24 N ATOM 698 CA THR A 45 23.677 17.409 23.881 1.00 14.13 C ATOM 699 C THR A 45 24.231 15.996 23.739 1.00 3.34 C ATOM 700 O THR A 45 24.449 15.300 24.731 1.00 71.23 O ATOM 701 CB THR A 45 22.168 17.389 23.576 1.00 31.40 C ATOM 702 OG1 THR A 45 21.926 17.910 22.264 1.00 44.34 O ATOM 703 CG2 THR A 45 21.398 18.208 24.602 1.00 30.32 C ATOM 0 H THR A 45 23.777 18.907 22.419 1.00 2.24 H new ATOM 0 HA THR A 45 23.828 17.755 24.903 1.00 14.13 H new ATOM 0 HB THR A 45 21.823 16.356 23.625 1.00 31.40 H new ATOM 0 HG1 THR A 45 22.495 17.443 21.617 1.00 44.34 H new ATOM 0 HG21 THR A 45 20.334 18.179 24.366 1.00 30.32 H new ATOM 0 HG22 THR A 45 21.561 17.792 25.596 1.00 30.32 H new ATOM 0 HG23 THR A 45 21.747 19.240 24.579 1.00 30.32 H new ATOM 711 N LEU A 46 24.457 15.576 22.498 1.00 71.50 N ATOM 712 CA LEU A 46 24.987 14.245 22.225 1.00 1.22 C ATOM 713 C LEU A 46 26.479 14.179 22.535 1.00 33.11 C ATOM 714 O LEU A 46 26.969 13.182 23.064 1.00 45.40 O ATOM 715 CB LEU A 46 24.740 13.867 20.764 1.00 2.42 C ATOM 716 CG LEU A 46 25.779 12.944 20.125 1.00 51.04 C ATOM 717 CD1 LEU A 46 25.863 11.628 20.883 1.00 60.45 C ATOM 718 CD2 LEU A 46 25.447 12.699 18.661 1.00 20.25 C ATOM 0 H LEU A 46 24.281 16.139 21.665 1.00 71.50 H new ATOM 0 HA LEU A 46 24.470 13.535 22.870 1.00 1.22 H new ATOM 0 HB2 LEU A 46 23.764 13.386 20.694 1.00 2.42 H new ATOM 0 HB3 LEU A 46 24.687 14.783 20.176 1.00 2.42 H new ATOM 0 HG LEU A 46 26.752 13.432 20.179 1.00 51.04 H new ATOM 0 HD11 LEU A 46 26.607 10.985 20.414 1.00 60.45 H new ATOM 0 HD12 LEU A 46 26.150 11.821 21.917 1.00 60.45 H new ATOM 0 HD13 LEU A 46 24.892 11.134 20.863 1.00 60.45 H new ATOM 0 HD21 LEU A 46 26.197 12.040 18.223 1.00 20.25 H new ATOM 0 HD22 LEU A 46 24.465 12.233 18.584 1.00 20.25 H new ATOM 0 HD23 LEU A 46 25.441 13.648 18.125 1.00 20.25 H new ATOM 730 N ASN A 47 27.194 15.248 22.204 1.00 72.14 N ATOM 731 CA ASN A 47 28.631 15.313 22.449 1.00 14.45 C ATOM 732 C ASN A 47 28.941 15.096 23.927 1.00 61.23 C ATOM 733 O ASN A 47 30.029 14.645 24.284 1.00 51.41 O ATOM 734 CB ASN A 47 29.188 16.662 21.992 1.00 63.20 C ATOM 735 CG ASN A 47 29.857 16.581 20.634 1.00 65.51 C ATOM 736 OD1 ASN A 47 31.182 16.489 20.631 1.00 21.25 O flip ATOM 737 ND2 ASN A 47 29.190 16.601 19.599 1.00 72.53 N flip ATOM 0 H ASN A 47 26.803 16.082 21.765 1.00 72.14 H new ATOM 0 HA ASN A 47 29.108 14.518 21.875 1.00 14.45 H new ATOM 0 HB2 ASN A 47 28.379 17.391 21.953 1.00 63.20 H new ATOM 0 HB3 ASN A 47 29.907 17.023 22.727 1.00 63.20 H new ATOM 0 HD21 ASN A 47 28.174 16.673 19.649 1.00 72.53 H new ATOM 0 HD22 ASN A 47 29.654 16.546 18.692 1.00 72.53 H new ATOM 744 N ARG A 48 27.977 15.420 24.782 1.00 74.02 N ATOM 745 CA ARG A 48 28.147 15.263 26.221 1.00 33.03 C ATOM 746 C ARG A 48 27.773 13.850 26.662 1.00 22.31 C ATOM 747 O ARG A 48 28.244 13.363 27.688 1.00 43.33 O ATOM 748 CB ARG A 48 27.293 16.285 26.973 1.00 32.33 C ATOM 749 CG ARG A 48 28.103 17.395 27.624 1.00 20.05 C ATOM 750 CD ARG A 48 27.345 18.713 27.620 1.00 63.42 C ATOM 751 NE ARG A 48 28.189 19.828 27.195 1.00 32.30 N ATOM 752 CZ ARG A 48 27.764 21.084 27.122 1.00 23.25 C ATOM 753 NH1 ARG A 48 26.513 21.384 27.443 1.00 72.21 N ATOM 754 NH2 ARG A 48 28.591 22.044 26.727 1.00 22.34 N ATOM 0 H ARG A 48 27.070 15.793 24.503 1.00 74.02 H new ATOM 0 HA ARG A 48 29.197 15.434 26.457 1.00 33.03 H new ATOM 0 HB2 ARG A 48 26.577 16.728 26.280 1.00 32.33 H new ATOM 0 HB3 ARG A 48 26.716 15.769 27.741 1.00 32.33 H new ATOM 0 HG2 ARG A 48 28.345 17.117 28.650 1.00 20.05 H new ATOM 0 HG3 ARG A 48 29.048 17.516 27.095 1.00 20.05 H new ATOM 0 HD2 ARG A 48 26.485 18.635 26.955 1.00 63.42 H new ATOM 0 HD3 ARG A 48 26.958 18.912 28.619 1.00 63.42 H new ATOM 0 HE ARG A 48 29.157 19.631 26.941 1.00 32.30 H new ATOM 0 HH11 ARG A 48 25.874 20.649 27.747 1.00 72.21 H new ATOM 0 HH12 ARG A 48 26.189 22.350 27.386 1.00 72.21 H new ATOM 0 HH21 ARG A 48 29.554 21.817 26.479 1.00 22.34 H new ATOM 0 HH22 ARG A 48 28.263 23.008 26.671 1.00 22.34 H new ATOM 768 N GLY A 49 26.921 13.197 25.877 1.00 64.42 N ATOM 769 CA GLY A 49 26.497 11.848 26.202 1.00 61.02 C ATOM 770 C GLY A 49 25.194 11.820 26.975 1.00 25.55 C ATOM 771 O GLY A 49 25.038 11.040 27.914 1.00 23.12 O ATOM 0 H GLY A 49 26.517 13.579 25.022 1.00 64.42 H new ATOM 0 HA2 GLY A 49 26.382 11.275 25.282 1.00 61.02 H new ATOM 0 HA3 GLY A 49 27.274 11.358 26.788 1.00 61.02 H new ATOM 775 N ILE A 50 24.255 12.674 26.580 1.00 41.35 N ATOM 776 CA ILE A 50 22.959 12.745 27.243 1.00 1.21 C ATOM 777 C ILE A 50 21.848 13.055 26.246 1.00 21.33 C ATOM 778 O ILE A 50 20.763 13.493 26.628 1.00 21.30 O ATOM 779 CB ILE A 50 22.952 13.813 28.353 1.00 5.44 C ATOM 780 CG1 ILE A 50 23.341 15.177 27.781 1.00 70.31 C ATOM 781 CG2 ILE A 50 23.896 13.414 29.478 1.00 65.41 C ATOM 782 CD1 ILE A 50 22.169 15.956 27.226 1.00 33.01 C ATOM 0 H ILE A 50 24.368 13.326 25.804 1.00 41.35 H new ATOM 0 HA ILE A 50 22.779 11.768 27.691 1.00 1.21 H new ATOM 0 HB ILE A 50 21.944 13.886 28.761 1.00 5.44 H new ATOM 0 HG12 ILE A 50 23.821 15.766 28.562 1.00 70.31 H new ATOM 0 HG13 ILE A 50 24.078 15.034 26.991 1.00 70.31 H new ATOM 0 HG21 ILE A 50 23.880 14.179 30.255 1.00 65.41 H new ATOM 0 HG22 ILE A 50 23.577 12.461 29.900 1.00 65.41 H new ATOM 0 HG23 ILE A 50 24.908 13.316 29.086 1.00 65.41 H new ATOM 0 HD11 ILE A 50 22.519 16.912 26.838 1.00 33.01 H new ATOM 0 HD12 ILE A 50 21.702 15.387 26.422 1.00 33.01 H new ATOM 0 HD13 ILE A 50 21.441 16.131 28.018 1.00 33.01 H new ATOM 794 N SER A 51 22.126 12.825 24.967 1.00 1.30 N ATOM 795 CA SER A 51 21.151 13.082 23.914 1.00 12.24 C ATOM 796 C SER A 51 20.302 11.843 23.646 1.00 63.52 C ATOM 797 O SER A 51 20.657 11.001 22.822 1.00 22.44 O ATOM 798 CB SER A 51 21.858 13.517 22.629 1.00 51.51 C ATOM 799 OG SER A 51 20.959 13.542 21.535 1.00 0.12 O ATOM 0 H SER A 51 23.019 12.461 24.635 1.00 1.30 H new ATOM 0 HA SER A 51 20.495 13.886 24.249 1.00 12.24 H new ATOM 0 HB2 SER A 51 22.294 14.506 22.768 1.00 51.51 H new ATOM 0 HB3 SER A 51 22.679 12.834 22.413 1.00 51.51 H new ATOM 0 HG SER A 51 21.435 13.825 20.727 1.00 0.12 H new ATOM 805 N GLU A 52 19.178 11.740 24.348 1.00 11.01 N ATOM 806 CA GLU A 52 18.278 10.604 24.187 1.00 42.11 C ATOM 807 C GLU A 52 17.681 10.579 22.783 1.00 10.20 C ATOM 808 O GLU A 52 17.659 9.539 22.124 1.00 31.33 O ATOM 809 CB GLU A 52 17.158 10.660 25.228 1.00 43.21 C ATOM 810 CG GLU A 52 17.659 10.831 26.652 1.00 61.24 C ATOM 811 CD GLU A 52 18.440 9.629 27.145 1.00 0.24 C ATOM 812 OE1 GLU A 52 17.812 8.690 27.677 1.00 33.34 O ATOM 813 OE2 GLU A 52 19.680 9.626 26.997 1.00 14.12 O ATOM 0 H GLU A 52 18.869 12.429 25.033 1.00 11.01 H new ATOM 0 HA GLU A 52 18.856 9.692 24.335 1.00 42.11 H new ATOM 0 HB2 GLU A 52 16.489 11.486 24.986 1.00 43.21 H new ATOM 0 HB3 GLU A 52 16.570 9.744 25.166 1.00 43.21 H new ATOM 0 HG2 GLU A 52 18.291 11.717 26.707 1.00 61.24 H new ATOM 0 HG3 GLU A 52 16.810 11.004 27.313 1.00 61.24 H new ATOM 820 N PHE A 53 17.197 11.731 22.331 1.00 20.23 N ATOM 821 CA PHE A 53 16.597 11.841 21.006 1.00 15.41 C ATOM 822 C PHE A 53 16.251 13.292 20.685 1.00 20.21 C ATOM 823 O PHE A 53 15.807 14.042 21.555 1.00 51.55 O ATOM 824 CB PHE A 53 15.340 10.973 20.918 1.00 51.33 C ATOM 825 CG PHE A 53 14.166 11.540 21.664 1.00 41.14 C ATOM 826 CD1 PHE A 53 14.145 11.544 23.049 1.00 52.20 C ATOM 827 CD2 PHE A 53 13.085 12.070 20.979 1.00 32.52 C ATOM 828 CE1 PHE A 53 13.066 12.065 23.739 1.00 71.12 C ATOM 829 CE2 PHE A 53 12.003 12.594 21.663 1.00 13.24 C ATOM 830 CZ PHE A 53 11.994 12.591 23.045 1.00 2.55 C ATOM 0 H PHE A 53 17.208 12.602 22.862 1.00 20.23 H new ATOM 0 HA PHE A 53 17.324 11.489 20.275 1.00 15.41 H new ATOM 0 HB2 PHE A 53 15.068 10.847 19.870 1.00 51.33 H new ATOM 0 HB3 PHE A 53 15.565 9.981 21.310 1.00 51.33 H new ATOM 0 HD1 PHE A 53 14.981 11.135 23.596 1.00 52.20 H new ATOM 0 HD2 PHE A 53 13.087 12.074 19.899 1.00 32.52 H new ATOM 0 HE1 PHE A 53 13.061 12.061 24.819 1.00 71.12 H new ATOM 0 HE2 PHE A 53 11.166 13.005 21.118 1.00 13.24 H new ATOM 0 HZ PHE A 53 11.150 12.999 23.581 1.00 2.55 H new ATOM 840 N ILE A 54 16.456 13.679 19.431 1.00 63.30 N ATOM 841 CA ILE A 54 16.165 15.040 18.995 1.00 2.44 C ATOM 842 C ILE A 54 15.002 15.063 18.009 1.00 61.51 C ATOM 843 O ILE A 54 14.692 14.056 17.373 1.00 51.31 O ATOM 844 CB ILE A 54 17.395 15.695 18.337 1.00 34.33 C ATOM 845 CG1 ILE A 54 18.002 14.757 17.292 1.00 51.41 C ATOM 846 CG2 ILE A 54 18.426 16.061 19.393 1.00 41.35 C ATOM 847 CD1 ILE A 54 18.256 15.422 15.958 1.00 72.22 C ATOM 0 H ILE A 54 16.822 13.070 18.699 1.00 63.30 H new ATOM 0 HA ILE A 54 15.895 15.607 19.886 1.00 2.44 H new ATOM 0 HB ILE A 54 17.078 16.609 17.835 1.00 34.33 H new ATOM 0 HG12 ILE A 54 18.942 14.359 17.675 1.00 51.41 H new ATOM 0 HG13 ILE A 54 17.333 13.909 17.145 1.00 51.41 H new ATOM 0 HG21 ILE A 54 19.289 16.523 18.914 1.00 41.35 H new ATOM 0 HG22 ILE A 54 17.987 16.762 20.103 1.00 41.35 H new ATOM 0 HG23 ILE A 54 18.742 15.161 19.920 1.00 41.35 H new ATOM 0 HD11 ILE A 54 18.687 14.698 15.267 1.00 72.22 H new ATOM 0 HD12 ILE A 54 17.316 15.796 15.553 1.00 72.22 H new ATOM 0 HD13 ILE A 54 18.949 16.253 16.092 1.00 72.22 H new ATOM 859 N VAL A 55 14.362 16.222 17.885 1.00 72.22 N ATOM 860 CA VAL A 55 13.235 16.380 16.973 1.00 33.15 C ATOM 861 C VAL A 55 13.432 17.582 16.057 1.00 51.34 C ATOM 862 O VAL A 55 13.984 18.603 16.466 1.00 55.31 O ATOM 863 CB VAL A 55 11.911 16.545 17.742 1.00 74.23 C ATOM 864 CG1 VAL A 55 10.754 16.745 16.776 1.00 31.35 C ATOM 865 CG2 VAL A 55 11.663 15.345 18.643 1.00 4.42 C ATOM 0 H VAL A 55 14.605 17.065 18.405 1.00 72.22 H new ATOM 0 HA VAL A 55 13.186 15.473 16.370 1.00 33.15 H new ATOM 0 HB VAL A 55 11.986 17.432 18.371 1.00 74.23 H new ATOM 0 HG11 VAL A 55 9.827 16.860 17.338 1.00 31.35 H new ATOM 0 HG12 VAL A 55 10.929 17.640 16.178 1.00 31.35 H new ATOM 0 HG13 VAL A 55 10.675 15.879 16.119 1.00 31.35 H new ATOM 0 HG21 VAL A 55 10.723 15.480 19.178 1.00 4.42 H new ATOM 0 HG22 VAL A 55 11.609 14.440 18.037 1.00 4.42 H new ATOM 0 HG23 VAL A 55 12.479 15.254 19.360 1.00 4.42 H new ATOM 875 N MET A 56 12.978 17.453 14.816 1.00 65.31 N ATOM 876 CA MET A 56 13.103 18.531 13.841 1.00 71.01 C ATOM 877 C MET A 56 11.842 18.643 12.990 1.00 65.50 C ATOM 878 O MET A 56 11.429 17.679 12.346 1.00 22.44 O ATOM 879 CB MET A 56 14.320 18.297 12.943 1.00 24.25 C ATOM 880 CG MET A 56 14.407 16.882 12.395 1.00 0.52 C ATOM 881 SD MET A 56 15.865 15.999 12.983 1.00 43.32 S ATOM 882 CE MET A 56 16.665 15.596 11.432 1.00 24.02 C ATOM 0 H MET A 56 12.520 16.614 14.461 1.00 65.31 H new ATOM 0 HA MET A 56 13.237 19.466 14.385 1.00 71.01 H new ATOM 0 HB2 MET A 56 14.287 18.999 12.110 1.00 24.25 H new ATOM 0 HB3 MET A 56 15.226 18.515 13.508 1.00 24.25 H new ATOM 0 HG2 MET A 56 13.512 16.330 12.682 1.00 0.52 H new ATOM 0 HG3 MET A 56 14.424 16.919 11.306 1.00 0.52 H new ATOM 0 HE1 MET A 56 16.948 14.543 11.431 1.00 24.02 H new ATOM 0 HE2 MET A 56 15.978 15.788 10.608 1.00 24.02 H new ATOM 0 HE3 MET A 56 17.557 16.211 11.312 1.00 24.02 H new ATOM 892 N ALA A 57 11.236 19.826 12.991 1.00 54.20 N ATOM 893 CA ALA A 57 10.023 20.064 12.218 1.00 42.31 C ATOM 894 C ALA A 57 10.320 20.077 10.722 1.00 21.21 C ATOM 895 O ALA A 57 11.291 20.689 10.278 1.00 24.01 O ATOM 896 CB ALA A 57 9.376 21.374 12.641 1.00 62.12 C ATOM 0 H ALA A 57 11.565 20.634 13.519 1.00 54.20 H new ATOM 0 HA ALA A 57 9.328 19.248 12.417 1.00 42.31 H new ATOM 0 HB1 ALA A 57 8.471 21.539 12.056 1.00 62.12 H new ATOM 0 HB2 ALA A 57 9.120 21.328 13.699 1.00 62.12 H new ATOM 0 HB3 ALA A 57 10.072 22.195 12.472 1.00 62.12 H new ATOM 902 N ALA A 58 9.478 19.397 9.951 1.00 73.32 N ATOM 903 CA ALA A 58 9.650 19.332 8.504 1.00 75.22 C ATOM 904 C ALA A 58 9.642 20.727 7.888 1.00 23.45 C ATOM 905 O ALA A 58 10.197 20.942 6.811 1.00 64.24 O ATOM 906 CB ALA A 58 8.561 18.471 7.882 1.00 12.11 C ATOM 0 H ALA A 58 8.670 18.883 10.303 1.00 73.32 H new ATOM 0 HA ALA A 58 10.619 18.878 8.297 1.00 75.22 H new ATOM 0 HB1 ALA A 58 8.701 18.431 6.802 1.00 12.11 H new ATOM 0 HB2 ALA A 58 8.615 17.463 8.293 1.00 12.11 H new ATOM 0 HB3 ALA A 58 7.585 18.901 8.105 1.00 12.11 H new ATOM 912 N ASP A 59 9.008 21.669 8.576 1.00 72.31 N ATOM 913 CA ASP A 59 8.928 23.044 8.096 1.00 73.42 C ATOM 914 C ASP A 59 10.153 23.844 8.529 1.00 42.40 C ATOM 915 O ASP A 59 10.396 24.942 8.031 1.00 53.11 O ATOM 916 CB ASP A 59 7.656 23.715 8.616 1.00 32.51 C ATOM 917 CG ASP A 59 7.127 24.771 7.664 1.00 52.42 C ATOM 918 OD1 ASP A 59 7.857 25.748 7.399 1.00 62.53 O ATOM 919 OD2 ASP A 59 5.985 24.617 7.185 1.00 61.35 O ATOM 0 H ASP A 59 8.542 21.506 9.468 1.00 72.31 H new ATOM 0 HA ASP A 59 8.898 23.021 7.007 1.00 73.42 H new ATOM 0 HB2 ASP A 59 6.889 22.958 8.776 1.00 32.51 H new ATOM 0 HB3 ASP A 59 7.860 24.172 9.584 1.00 32.51 H new ATOM 924 N ALA A 60 10.920 23.284 9.458 1.00 11.15 N ATOM 925 CA ALA A 60 12.120 23.944 9.957 1.00 0.24 C ATOM 926 C ALA A 60 13.163 24.093 8.855 1.00 73.22 C ATOM 927 O ALA A 60 13.603 23.105 8.267 1.00 71.35 O ATOM 928 CB ALA A 60 12.699 23.169 11.132 1.00 31.44 C ATOM 0 H ALA A 60 10.732 22.375 9.880 1.00 11.15 H new ATOM 0 HA ALA A 60 11.841 24.942 10.295 1.00 0.24 H new ATOM 0 HB1 ALA A 60 13.595 23.673 11.495 1.00 31.44 H new ATOM 0 HB2 ALA A 60 11.962 23.118 11.933 1.00 31.44 H new ATOM 0 HB3 ALA A 60 12.956 22.160 10.811 1.00 31.44 H new ATOM 934 N GLU A 61 13.553 25.334 8.580 1.00 65.32 N ATOM 935 CA GLU A 61 14.543 25.611 7.546 1.00 2.03 C ATOM 936 C GLU A 61 15.777 26.284 8.141 1.00 65.52 C ATOM 937 O GLU A 61 15.744 26.837 9.241 1.00 3.15 O ATOM 938 CB GLU A 61 13.940 26.499 6.455 1.00 10.20 C ATOM 939 CG GLU A 61 13.356 25.719 5.290 1.00 63.53 C ATOM 940 CD GLU A 61 12.657 26.612 4.282 1.00 1.50 C ATOM 941 OE1 GLU A 61 11.993 27.581 4.707 1.00 44.51 O ATOM 942 OE2 GLU A 61 12.776 26.342 3.068 1.00 34.14 O ATOM 0 H GLU A 61 13.199 26.162 9.058 1.00 65.32 H new ATOM 0 HA GLU A 61 14.845 24.661 7.105 1.00 2.03 H new ATOM 0 HB2 GLU A 61 13.159 27.120 6.894 1.00 10.20 H new ATOM 0 HB3 GLU A 61 14.710 27.173 6.080 1.00 10.20 H new ATOM 0 HG2 GLU A 61 14.153 25.168 4.791 1.00 63.53 H new ATOM 0 HG3 GLU A 61 12.648 24.982 5.669 1.00 63.53 H new ATOM 949 N PRO A 62 16.893 26.238 7.397 1.00 22.35 N ATOM 950 CA PRO A 62 16.943 25.583 6.087 1.00 4.43 C ATOM 951 C PRO A 62 16.832 24.065 6.192 1.00 72.22 C ATOM 952 O PRO A 62 16.802 23.510 7.291 1.00 22.01 O ATOM 953 CB PRO A 62 18.317 25.982 5.543 1.00 31.01 C ATOM 954 CG PRO A 62 19.138 26.258 6.756 1.00 33.22 C ATOM 955 CD PRO A 62 18.190 26.819 7.779 1.00 72.13 C ATOM 0 HA PRO A 62 16.112 25.885 5.449 1.00 4.43 H new ATOM 0 HB2 PRO A 62 18.753 25.183 4.943 1.00 31.01 H new ATOM 0 HB3 PRO A 62 18.249 26.861 4.902 1.00 31.01 H new ATOM 0 HG2 PRO A 62 19.612 25.347 7.122 1.00 33.22 H new ATOM 0 HG3 PRO A 62 19.936 26.966 6.534 1.00 33.22 H new ATOM 0 HD2 PRO A 62 18.476 26.533 8.791 1.00 72.13 H new ATOM 0 HD3 PRO A 62 18.166 27.908 7.750 1.00 72.13 H new ATOM 963 N LEU A 63 16.773 23.400 5.044 1.00 33.23 N ATOM 964 CA LEU A 63 16.666 21.945 5.008 1.00 64.52 C ATOM 965 C LEU A 63 18.031 21.294 5.201 1.00 22.21 C ATOM 966 O LEU A 63 18.149 20.264 5.864 1.00 4.24 O ATOM 967 CB LEU A 63 16.056 21.493 3.679 1.00 35.25 C ATOM 968 CG LEU A 63 14.934 20.457 3.775 1.00 23.41 C ATOM 969 CD1 LEU A 63 13.798 20.979 4.641 1.00 40.20 C ATOM 970 CD2 LEU A 63 14.425 20.094 2.388 1.00 2.21 C ATOM 0 H LEU A 63 16.797 23.844 4.126 1.00 33.23 H new ATOM 0 HA LEU A 63 16.016 21.632 5.825 1.00 64.52 H new ATOM 0 HB2 LEU A 63 15.670 22.371 3.162 1.00 35.25 H new ATOM 0 HB3 LEU A 63 16.852 21.082 3.058 1.00 35.25 H new ATOM 0 HG LEU A 63 15.335 19.557 4.241 1.00 23.41 H new ATOM 0 HD11 LEU A 63 13.009 20.229 4.698 1.00 40.20 H new ATOM 0 HD12 LEU A 63 14.172 21.189 5.643 1.00 40.20 H new ATOM 0 HD13 LEU A 63 13.398 21.894 4.204 1.00 40.20 H new ATOM 0 HD21 LEU A 63 13.627 19.356 2.475 1.00 2.21 H new ATOM 0 HD22 LEU A 63 14.041 20.988 1.896 1.00 2.21 H new ATOM 0 HD23 LEU A 63 15.242 19.678 1.798 1.00 2.21 H new ATOM 982 N GLU A 64 19.060 21.903 4.620 1.00 71.51 N ATOM 983 CA GLU A 64 20.417 21.383 4.730 1.00 22.22 C ATOM 984 C GLU A 64 20.854 21.307 6.191 1.00 64.31 C ATOM 985 O GLU A 64 21.394 20.294 6.635 1.00 54.34 O ATOM 986 CB GLU A 64 21.390 22.260 3.940 1.00 32.43 C ATOM 987 CG GLU A 64 22.132 21.514 2.844 1.00 15.13 C ATOM 988 CD GLU A 64 23.179 22.371 2.160 1.00 12.23 C ATOM 989 OE1 GLU A 64 22.924 23.579 1.970 1.00 0.41 O ATOM 990 OE2 GLU A 64 24.251 21.834 1.814 1.00 41.43 O ATOM 0 H GLU A 64 18.979 22.757 4.068 1.00 71.51 H new ATOM 0 HA GLU A 64 20.427 20.376 4.313 1.00 22.22 H new ATOM 0 HB2 GLU A 64 20.839 23.088 3.495 1.00 32.43 H new ATOM 0 HB3 GLU A 64 22.116 22.693 4.628 1.00 32.43 H new ATOM 0 HG2 GLU A 64 22.611 20.633 3.270 1.00 15.13 H new ATOM 0 HG3 GLU A 64 21.416 21.160 2.102 1.00 15.13 H new ATOM 997 N ILE A 65 20.616 22.386 6.929 1.00 44.32 N ATOM 998 CA ILE A 65 20.985 22.442 8.338 1.00 34.34 C ATOM 999 C ILE A 65 20.446 21.232 9.096 1.00 42.15 C ATOM 1000 O ILE A 65 21.062 20.762 10.053 1.00 71.43 O ATOM 1001 CB ILE A 65 20.460 23.726 9.006 1.00 60.42 C ATOM 1002 CG1 ILE A 65 21.437 24.882 8.776 1.00 22.55 C ATOM 1003 CG2 ILE A 65 20.243 23.499 10.495 1.00 20.21 C ATOM 1004 CD1 ILE A 65 22.742 24.729 9.524 1.00 4.21 C ATOM 0 H ILE A 65 20.170 23.232 6.575 1.00 44.32 H new ATOM 0 HA ILE A 65 22.074 22.439 8.380 1.00 34.34 H new ATOM 0 HB ILE A 65 19.503 23.987 8.555 1.00 60.42 H new ATOM 0 HG12 ILE A 65 21.646 24.963 7.709 1.00 22.55 H new ATOM 0 HG13 ILE A 65 20.961 25.815 9.079 1.00 22.55 H new ATOM 0 HG21 ILE A 65 19.872 24.416 10.953 1.00 20.21 H new ATOM 0 HG22 ILE A 65 19.515 22.701 10.639 1.00 20.21 H new ATOM 0 HG23 ILE A 65 21.187 23.217 10.961 1.00 20.21 H new ATOM 0 HD11 ILE A 65 23.384 25.584 9.314 1.00 4.21 H new ATOM 0 HD12 ILE A 65 22.544 24.679 10.595 1.00 4.21 H new ATOM 0 HD13 ILE A 65 23.240 23.814 9.204 1.00 4.21 H new ATOM 1016 N ILE A 66 19.294 20.733 8.660 1.00 44.53 N ATOM 1017 CA ILE A 66 18.676 19.577 9.295 1.00 32.03 C ATOM 1018 C ILE A 66 19.436 18.296 8.968 1.00 41.21 C ATOM 1019 O ILE A 66 19.537 17.391 9.797 1.00 34.24 O ATOM 1020 CB ILE A 66 17.207 19.413 8.858 1.00 60.45 C ATOM 1021 CG1 ILE A 66 16.467 20.748 8.974 1.00 0.20 C ATOM 1022 CG2 ILE A 66 16.521 18.346 9.697 1.00 53.12 C ATOM 1023 CD1 ILE A 66 16.360 21.258 10.393 1.00 75.13 C ATOM 0 H ILE A 66 18.771 21.111 7.870 1.00 44.53 H new ATOM 0 HA ILE A 66 18.711 19.753 10.370 1.00 32.03 H new ATOM 0 HB ILE A 66 17.186 19.096 7.815 1.00 60.45 H new ATOM 0 HG12 ILE A 66 16.981 21.493 8.367 1.00 0.20 H new ATOM 0 HG13 ILE A 66 15.465 20.636 8.560 1.00 0.20 H new ATOM 0 HG21 ILE A 66 15.484 18.242 9.377 1.00 53.12 H new ATOM 0 HG22 ILE A 66 17.038 17.395 9.569 1.00 53.12 H new ATOM 0 HG23 ILE A 66 16.549 18.636 10.747 1.00 53.12 H new ATOM 0 HD11 ILE A 66 15.824 22.207 10.399 1.00 75.13 H new ATOM 0 HD12 ILE A 66 15.820 20.532 11.001 1.00 75.13 H new ATOM 0 HD13 ILE A 66 17.359 21.403 10.804 1.00 75.13 H new ATOM 1035 N LEU A 67 19.973 18.228 7.754 1.00 41.33 N ATOM 1036 CA LEU A 67 20.728 17.058 7.316 1.00 54.21 C ATOM 1037 C LEU A 67 22.183 17.152 7.765 1.00 45.43 C ATOM 1038 O LEU A 67 22.938 16.183 7.663 1.00 73.25 O ATOM 1039 CB LEU A 67 20.658 16.922 5.795 1.00 41.52 C ATOM 1040 CG LEU A 67 20.819 15.506 5.240 1.00 61.55 C ATOM 1041 CD1 LEU A 67 19.631 15.138 4.365 1.00 3.13 C ATOM 1042 CD2 LEU A 67 22.118 15.386 4.456 1.00 53.30 C ATOM 0 H LEU A 67 19.900 18.968 7.056 1.00 41.33 H new ATOM 0 HA LEU A 67 20.282 16.175 7.773 1.00 54.21 H new ATOM 0 HB2 LEU A 67 19.699 17.316 5.459 1.00 41.52 H new ATOM 0 HB3 LEU A 67 21.432 17.552 5.358 1.00 41.52 H new ATOM 0 HG LEU A 67 20.857 14.810 6.078 1.00 61.55 H new ATOM 0 HD11 LEU A 67 19.763 14.127 3.979 1.00 3.13 H new ATOM 0 HD12 LEU A 67 18.716 15.184 4.955 1.00 3.13 H new ATOM 0 HD13 LEU A 67 19.561 15.838 3.533 1.00 3.13 H new ATOM 0 HD21 LEU A 67 22.217 14.372 4.068 1.00 53.30 H new ATOM 0 HD22 LEU A 67 22.109 16.093 3.626 1.00 53.30 H new ATOM 0 HD23 LEU A 67 22.960 15.607 5.111 1.00 53.30 H new ATOM 1054 N HIS A 68 22.571 18.322 8.261 1.00 24.12 N ATOM 1055 CA HIS A 68 23.935 18.541 8.727 1.00 51.52 C ATOM 1056 C HIS A 68 24.212 17.740 9.997 1.00 25.44 C ATOM 1057 O HIS A 68 25.294 17.179 10.167 1.00 45.14 O ATOM 1058 CB HIS A 68 24.176 20.028 8.986 1.00 41.45 C ATOM 1059 CG HIS A 68 24.994 20.696 7.924 1.00 74.41 C ATOM 1060 ND1 HIS A 68 26.130 20.134 7.384 1.00 44.34 N ATOM 1061 CD2 HIS A 68 24.832 21.888 7.300 1.00 13.44 C ATOM 1062 CE1 HIS A 68 26.634 20.951 6.476 1.00 5.31 C ATOM 1063 NE2 HIS A 68 25.865 22.022 6.405 1.00 33.23 N ATOM 0 H HIS A 68 21.960 19.134 8.351 1.00 24.12 H new ATOM 0 HA HIS A 68 24.617 18.200 7.948 1.00 51.52 H new ATOM 0 HB2 HIS A 68 23.214 20.535 9.065 1.00 41.45 H new ATOM 0 HB3 HIS A 68 24.678 20.144 9.947 1.00 41.45 H new ATOM 0 HD2 HIS A 68 24.039 22.600 7.474 1.00 13.44 H new ATOM 0 HE1 HIS A 68 27.524 20.773 5.891 1.00 5.31 H new ATOM 0 HE2 HIS A 68 26.014 22.819 5.786 1.00 33.23 H new ATOM 1071 N LEU A 69 23.224 17.690 10.885 1.00 42.13 N ATOM 1072 CA LEU A 69 23.361 16.959 12.139 1.00 2.35 C ATOM 1073 C LEU A 69 23.837 15.531 11.889 1.00 64.44 C ATOM 1074 O LEU A 69 24.893 15.111 12.362 1.00 63.30 O ATOM 1075 CB LEU A 69 22.028 16.939 12.888 1.00 71.11 C ATOM 1076 CG LEU A 69 21.905 17.906 14.066 1.00 61.45 C ATOM 1077 CD1 LEU A 69 20.443 18.151 14.407 1.00 43.32 C ATOM 1078 CD2 LEU A 69 22.654 17.370 15.277 1.00 72.14 C ATOM 0 H LEU A 69 22.321 18.147 10.759 1.00 42.13 H new ATOM 0 HA LEU A 69 24.107 17.470 12.748 1.00 2.35 H new ATOM 0 HB2 LEU A 69 21.232 17.160 12.177 1.00 71.11 H new ATOM 0 HB3 LEU A 69 21.856 15.927 13.255 1.00 71.11 H new ATOM 0 HG LEU A 69 22.353 18.857 13.778 1.00 61.45 H new ATOM 0 HD11 LEU A 69 20.376 18.842 15.248 1.00 43.32 H new ATOM 0 HD12 LEU A 69 19.935 18.580 13.543 1.00 43.32 H new ATOM 0 HD13 LEU A 69 19.969 17.207 14.675 1.00 43.32 H new ATOM 0 HD21 LEU A 69 22.555 18.071 16.106 1.00 72.14 H new ATOM 0 HD22 LEU A 69 22.236 16.406 15.566 1.00 72.14 H new ATOM 0 HD23 LEU A 69 23.708 17.248 15.028 1.00 72.14 H new ATOM 1090 N PRO A 70 23.042 14.769 11.123 1.00 11.54 N ATOM 1091 CA PRO A 70 23.363 13.377 10.790 1.00 70.05 C ATOM 1092 C PRO A 70 24.550 13.269 9.837 1.00 33.12 C ATOM 1093 O PRO A 70 24.547 13.860 8.757 1.00 24.45 O ATOM 1094 CB PRO A 70 22.087 12.871 10.114 1.00 24.15 C ATOM 1095 CG PRO A 70 21.437 14.095 9.567 1.00 2.20 C ATOM 1096 CD PRO A 70 21.770 15.205 10.525 1.00 14.24 C ATOM 0 HA PRO A 70 23.651 12.803 11.670 1.00 70.05 H new ATOM 0 HB2 PRO A 70 22.315 12.157 9.323 1.00 24.15 H new ATOM 0 HB3 PRO A 70 21.437 12.362 10.826 1.00 24.15 H new ATOM 0 HG2 PRO A 70 21.807 14.319 8.566 1.00 2.20 H new ATOM 0 HG3 PRO A 70 20.358 13.961 9.485 1.00 2.20 H new ATOM 0 HD2 PRO A 70 21.874 16.161 10.012 1.00 14.24 H new ATOM 0 HD3 PRO A 70 20.994 15.331 11.280 1.00 14.24 H new ATOM 1232 N PRO A 79 19.358 10.131 16.208 1.00 12.33 N ATOM 1233 CA PRO A 79 17.902 10.194 16.371 1.00 70.31 C ATOM 1234 C PRO A 79 17.292 11.400 15.664 1.00 13.11 C ATOM 1235 O PRO A 79 17.944 12.431 15.500 1.00 5.00 O ATOM 1236 CB PRO A 79 17.719 10.313 17.886 1.00 51.32 C ATOM 1237 CG PRO A 79 18.988 10.924 18.374 1.00 22.51 C ATOM 1238 CD PRO A 79 20.070 10.411 17.466 1.00 40.31 C ATOM 0 HA PRO A 79 17.405 9.327 15.935 1.00 70.31 H new ATOM 0 HB2 PRO A 79 16.859 10.936 18.133 1.00 51.32 H new ATOM 0 HB3 PRO A 79 17.548 9.338 18.342 1.00 51.32 H new ATOM 0 HG2 PRO A 79 18.935 12.012 18.342 1.00 22.51 H new ATOM 0 HG3 PRO A 79 19.183 10.645 19.410 1.00 22.51 H new ATOM 0 HD2 PRO A 79 20.859 11.149 17.325 1.00 40.31 H new ATOM 0 HD3 PRO A 79 20.541 9.514 17.869 1.00 40.31 H new ATOM 1246 N TYR A 80 16.037 11.265 15.250 1.00 4.45 N ATOM 1247 CA TYR A 80 15.339 12.342 14.559 1.00 42.13 C ATOM 1248 C TYR A 80 13.863 12.004 14.372 1.00 1.43 C ATOM 1249 O TYR A 80 13.439 10.871 14.604 1.00 73.24 O ATOM 1250 CB TYR A 80 15.988 12.610 13.199 1.00 14.21 C ATOM 1251 CG TYR A 80 16.275 11.353 12.408 1.00 62.31 C ATOM 1252 CD1 TYR A 80 15.242 10.541 11.960 1.00 11.24 C ATOM 1253 CD2 TYR A 80 17.579 10.979 12.109 1.00 71.35 C ATOM 1254 CE1 TYR A 80 15.498 9.391 11.237 1.00 70.53 C ATOM 1255 CE2 TYR A 80 17.846 9.833 11.385 1.00 75.25 C ATOM 1256 CZ TYR A 80 16.802 9.043 10.952 1.00 2.34 C ATOM 1257 OH TYR A 80 17.063 7.899 10.232 1.00 70.31 O ATOM 0 H TYR A 80 15.482 10.419 15.381 1.00 4.45 H new ATOM 0 HA TYR A 80 15.413 13.240 15.173 1.00 42.13 H new ATOM 0 HB2 TYR A 80 15.333 13.256 12.614 1.00 14.21 H new ATOM 0 HB3 TYR A 80 16.920 13.154 13.351 1.00 14.21 H new ATOM 0 HD1 TYR A 80 14.220 10.813 12.180 1.00 11.24 H new ATOM 0 HD2 TYR A 80 18.399 11.595 12.449 1.00 71.35 H new ATOM 0 HE1 TYR A 80 14.683 8.769 10.898 1.00 70.53 H new ATOM 0 HE2 TYR A 80 18.866 9.558 11.160 1.00 75.25 H new ATOM 0 HH TYR A 80 18.031 7.799 10.117 1.00 70.31 H new ATOM 1267 N VAL A 81 13.085 12.995 13.951 1.00 74.20 N ATOM 1268 CA VAL A 81 11.656 12.805 13.731 1.00 42.20 C ATOM 1269 C VAL A 81 11.011 14.071 13.180 1.00 74.34 C ATOM 1270 O VAL A 81 11.269 15.174 13.664 1.00 20.13 O ATOM 1271 CB VAL A 81 10.936 12.399 15.031 1.00 54.24 C ATOM 1272 CG1 VAL A 81 11.163 13.443 16.114 1.00 53.41 C ATOM 1273 CG2 VAL A 81 9.451 12.197 14.777 1.00 72.32 C ATOM 0 H VAL A 81 13.420 13.938 13.755 1.00 74.20 H new ATOM 0 HA VAL A 81 11.553 12.002 13.002 1.00 42.20 H new ATOM 0 HB VAL A 81 11.353 11.453 15.377 1.00 54.24 H new ATOM 0 HG11 VAL A 81 10.647 13.140 17.025 1.00 53.41 H new ATOM 0 HG12 VAL A 81 12.231 13.533 16.314 1.00 53.41 H new ATOM 0 HG13 VAL A 81 10.774 14.405 15.780 1.00 53.41 H new ATOM 0 HG21 VAL A 81 8.959 11.911 15.706 1.00 72.32 H new ATOM 0 HG22 VAL A 81 9.016 13.125 14.407 1.00 72.32 H new ATOM 0 HG23 VAL A 81 9.312 11.410 14.036 1.00 72.32 H new ATOM 1283 N PHE A 82 10.170 13.907 12.164 1.00 51.13 N ATOM 1284 CA PHE A 82 9.487 15.037 11.546 1.00 71.21 C ATOM 1285 C PHE A 82 8.068 15.179 12.089 1.00 24.00 C ATOM 1286 O PHE A 82 7.277 14.237 12.041 1.00 32.10 O ATOM 1287 CB PHE A 82 9.450 14.869 10.026 1.00 4.23 C ATOM 1288 CG PHE A 82 10.812 14.793 9.397 1.00 51.03 C ATOM 1289 CD1 PHE A 82 11.497 13.590 9.338 1.00 14.24 C ATOM 1290 CD2 PHE A 82 11.409 15.925 8.866 1.00 52.01 C ATOM 1291 CE1 PHE A 82 12.750 13.515 8.761 1.00 75.04 C ATOM 1292 CE2 PHE A 82 12.662 15.857 8.287 1.00 43.10 C ATOM 1293 CZ PHE A 82 13.333 14.652 8.235 1.00 45.52 C ATOM 0 H PHE A 82 9.945 13.002 11.751 1.00 51.13 H new ATOM 0 HA PHE A 82 10.042 15.943 11.791 1.00 71.21 H new ATOM 0 HB2 PHE A 82 8.895 13.963 9.782 1.00 4.23 H new ATOM 0 HB3 PHE A 82 8.903 15.705 9.589 1.00 4.23 H new ATOM 0 HD1 PHE A 82 11.045 12.699 9.749 1.00 14.24 H new ATOM 0 HD2 PHE A 82 10.889 16.871 8.905 1.00 52.01 H new ATOM 0 HE1 PHE A 82 13.272 12.571 8.721 1.00 75.04 H new ATOM 0 HE2 PHE A 82 13.116 16.746 7.875 1.00 43.10 H new ATOM 0 HZ PHE A 82 14.313 14.598 7.784 1.00 45.52 H new ATOM 1303 N VAL A 83 7.753 16.363 12.604 1.00 11.53 N ATOM 1304 CA VAL A 83 6.429 16.628 13.156 1.00 50.34 C ATOM 1305 C VAL A 83 5.735 17.755 12.398 1.00 51.55 C ATOM 1306 O VAL A 83 6.338 18.790 12.115 1.00 50.42 O ATOM 1307 CB VAL A 83 6.508 16.999 14.648 1.00 71.44 C ATOM 1308 CG1 VAL A 83 6.798 15.767 15.491 1.00 63.15 C ATOM 1309 CG2 VAL A 83 7.563 18.072 14.875 1.00 54.24 C ATOM 0 H VAL A 83 8.396 17.154 12.651 1.00 11.53 H new ATOM 0 HA VAL A 83 5.850 15.711 13.048 1.00 50.34 H new ATOM 0 HB VAL A 83 5.543 17.400 14.956 1.00 71.44 H new ATOM 0 HG11 VAL A 83 6.850 16.050 16.542 1.00 63.15 H new ATOM 0 HG12 VAL A 83 6.003 15.035 15.351 1.00 63.15 H new ATOM 0 HG13 VAL A 83 7.749 15.332 15.185 1.00 63.15 H new ATOM 0 HG21 VAL A 83 7.605 18.322 15.935 1.00 54.24 H new ATOM 0 HG22 VAL A 83 8.535 17.701 14.551 1.00 54.24 H new ATOM 0 HG23 VAL A 83 7.305 18.963 14.302 1.00 54.24 H new ATOM 1319 N ARG A 84 4.463 17.546 12.074 1.00 54.51 N ATOM 1320 CA ARG A 84 3.686 18.544 11.349 1.00 54.34 C ATOM 1321 C ARG A 84 3.077 19.561 12.309 1.00 62.21 C ATOM 1322 O ARG A 84 1.868 19.793 12.298 1.00 70.54 O ATOM 1323 CB ARG A 84 2.580 17.868 10.536 1.00 72.14 C ATOM 1324 CG ARG A 84 3.095 16.825 9.557 1.00 13.11 C ATOM 1325 CD ARG A 84 3.410 17.441 8.202 1.00 12.35 C ATOM 1326 NE ARG A 84 2.765 16.718 7.110 1.00 12.23 N ATOM 1327 CZ ARG A 84 1.460 16.768 6.864 1.00 13.53 C ATOM 1328 NH1 ARG A 84 0.666 17.503 7.630 1.00 54.21 N ATOM 1329 NH2 ARG A 84 0.948 16.081 5.851 1.00 70.52 N ATOM 0 H ARG A 84 3.949 16.695 12.302 1.00 54.51 H new ATOM 0 HA ARG A 84 4.358 19.068 10.670 1.00 54.34 H new ATOM 0 HB2 ARG A 84 1.875 17.395 11.220 1.00 72.14 H new ATOM 0 HB3 ARG A 84 2.028 18.630 9.985 1.00 72.14 H new ATOM 0 HG2 ARG A 84 3.992 16.356 9.962 1.00 13.11 H new ATOM 0 HG3 ARG A 84 2.350 16.038 9.436 1.00 13.11 H new ATOM 0 HD2 ARG A 84 3.083 18.481 8.192 1.00 12.35 H new ATOM 0 HD3 ARG A 84 4.489 17.445 8.047 1.00 12.35 H new ATOM 0 HE ARG A 84 3.348 16.143 6.502 1.00 12.23 H new ATOM 0 HH11 ARG A 84 1.056 18.032 8.410 1.00 54.21 H new ATOM 0 HH12 ARG A 84 -0.335 17.540 7.439 1.00 54.21 H new ATOM 0 HH21 ARG A 84 1.556 15.514 5.260 1.00 70.52 H new ATOM 0 HH22 ARG A 84 -0.054 16.120 5.663 1.00 70.52 H new ATOM 1343 N SER A 85 3.922 20.165 13.139 1.00 45.33 N ATOM 1344 CA SER A 85 3.467 21.154 14.109 1.00 24.31 C ATOM 1345 C SER A 85 4.639 21.968 14.646 1.00 13.00 C ATOM 1346 O SER A 85 5.534 21.432 15.300 1.00 62.15 O ATOM 1347 CB SER A 85 2.735 20.468 15.264 1.00 10.50 C ATOM 1348 OG SER A 85 2.595 19.078 15.025 1.00 71.13 O ATOM 0 H SER A 85 4.926 19.986 13.159 1.00 45.33 H new ATOM 0 HA SER A 85 2.779 21.832 13.604 1.00 24.31 H new ATOM 0 HB2 SER A 85 3.284 20.627 16.192 1.00 10.50 H new ATOM 0 HB3 SER A 85 1.751 20.919 15.394 1.00 10.50 H new ATOM 0 HG SER A 85 2.126 18.662 15.778 1.00 71.13 H new ATOM 1354 N LYS A 86 4.628 23.267 14.365 1.00 54.41 N ATOM 1355 CA LYS A 86 5.689 24.158 14.820 1.00 34.31 C ATOM 1356 C LYS A 86 5.307 24.830 16.135 1.00 52.43 C ATOM 1357 O LYS A 86 5.973 24.641 17.153 1.00 72.14 O ATOM 1358 CB LYS A 86 5.980 25.220 13.758 1.00 51.24 C ATOM 1359 CG LYS A 86 6.784 24.699 12.580 1.00 12.30 C ATOM 1360 CD LYS A 86 7.677 25.778 11.992 1.00 23.21 C ATOM 1361 CE LYS A 86 6.870 26.804 11.210 1.00 1.31 C ATOM 1362 NZ LYS A 86 7.152 28.194 11.663 1.00 43.11 N ATOM 0 H LYS A 86 3.895 23.726 13.824 1.00 54.41 H new ATOM 0 HA LYS A 86 6.586 23.561 14.984 1.00 34.31 H new ATOM 0 HB2 LYS A 86 5.036 25.624 13.392 1.00 51.24 H new ATOM 0 HB3 LYS A 86 6.522 26.045 14.220 1.00 51.24 H new ATOM 0 HG2 LYS A 86 7.395 23.855 12.900 1.00 12.30 H new ATOM 0 HG3 LYS A 86 6.106 24.328 11.811 1.00 12.30 H new ATOM 0 HD2 LYS A 86 8.223 26.277 12.793 1.00 23.21 H new ATOM 0 HD3 LYS A 86 8.419 25.321 11.337 1.00 23.21 H new ATOM 0 HE2 LYS A 86 7.100 26.714 10.148 1.00 1.31 H new ATOM 0 HE3 LYS A 86 5.807 26.593 11.325 1.00 1.31 H new ATOM 0 HZ1 LYS A 86 6.997 28.854 10.875 1.00 43.11 H new ATOM 0 HZ2 LYS A 86 6.517 28.438 12.449 1.00 43.11 H new ATOM 0 HZ3 LYS A 86 8.140 28.262 11.982 1.00 43.11 H new ATOM 1376 N GLN A 87 4.234 25.612 16.107 1.00 22.13 N ATOM 1377 CA GLN A 87 3.765 26.310 17.298 1.00 22.20 C ATOM 1378 C GLN A 87 3.597 25.343 18.466 1.00 45.44 C ATOM 1379 O GLN A 87 3.794 25.712 19.622 1.00 31.43 O ATOM 1380 CB GLN A 87 2.439 27.017 17.012 1.00 22.24 C ATOM 1381 CG GLN A 87 1.343 26.081 16.530 1.00 31.33 C ATOM 1382 CD GLN A 87 0.192 26.818 15.872 1.00 52.34 C ATOM 1383 OE1 GLN A 87 -0.055 26.666 14.675 1.00 52.32 O ATOM 1384 NE2 GLN A 87 -0.518 27.624 16.652 1.00 42.14 N ATOM 0 H GLN A 87 3.672 25.779 15.272 1.00 22.13 H new ATOM 0 HA GLN A 87 4.514 27.053 17.570 1.00 22.20 H new ATOM 0 HB2 GLN A 87 2.103 27.521 17.918 1.00 22.24 H new ATOM 0 HB3 GLN A 87 2.603 27.789 16.260 1.00 22.24 H new ATOM 0 HG2 GLN A 87 1.765 25.368 15.822 1.00 31.33 H new ATOM 0 HG3 GLN A 87 0.965 25.505 17.375 1.00 31.33 H new ATOM 0 HE21 GLN A 87 -0.278 27.720 17.639 1.00 42.14 H new ATOM 0 HE22 GLN A 87 -1.303 28.147 16.265 1.00 42.14 H new ATOM 1393 N ALA A 88 3.235 24.103 18.153 1.00 31.34 N ATOM 1394 CA ALA A 88 3.043 23.083 19.176 1.00 32.34 C ATOM 1395 C ALA A 88 4.362 22.732 19.856 1.00 22.53 C ATOM 1396 O ALA A 88 4.437 22.646 21.082 1.00 33.20 O ATOM 1397 CB ALA A 88 2.412 21.839 18.568 1.00 12.02 C ATOM 0 H ALA A 88 3.069 23.781 17.200 1.00 31.34 H new ATOM 0 HA ALA A 88 2.370 23.485 19.934 1.00 32.34 H new ATOM 0 HB1 ALA A 88 2.274 21.085 19.343 1.00 12.02 H new ATOM 0 HB2 ALA A 88 1.445 22.096 18.136 1.00 12.02 H new ATOM 0 HB3 ALA A 88 3.064 21.444 17.789 1.00 12.02 H new ATOM 1403 N LEU A 89 5.400 22.530 19.052 1.00 15.14 N ATOM 1404 CA LEU A 89 6.718 22.187 19.577 1.00 65.24 C ATOM 1405 C LEU A 89 7.304 23.347 20.375 1.00 54.30 C ATOM 1406 O LEU A 89 7.890 23.149 21.439 1.00 45.40 O ATOM 1407 CB LEU A 89 7.662 21.813 18.433 1.00 12.31 C ATOM 1408 CG LEU A 89 9.073 21.385 18.840 1.00 70.54 C ATOM 1409 CD1 LEU A 89 9.033 20.065 19.594 1.00 40.44 C ATOM 1410 CD2 LEU A 89 9.970 21.276 17.616 1.00 51.55 C ATOM 0 H LEU A 89 5.355 22.598 18.035 1.00 15.14 H new ATOM 0 HA LEU A 89 6.606 21.331 20.243 1.00 65.24 H new ATOM 0 HB2 LEU A 89 7.208 21.002 17.864 1.00 12.31 H new ATOM 0 HB3 LEU A 89 7.743 22.667 17.761 1.00 12.31 H new ATOM 0 HG LEU A 89 9.487 22.145 19.502 1.00 70.54 H new ATOM 0 HD11 LEU A 89 10.046 19.776 19.876 1.00 40.44 H new ATOM 0 HD12 LEU A 89 8.425 20.177 20.492 1.00 40.44 H new ATOM 0 HD13 LEU A 89 8.600 19.295 18.956 1.00 40.44 H new ATOM 0 HD21 LEU A 89 10.970 20.971 17.924 1.00 51.55 H new ATOM 0 HD22 LEU A 89 9.560 20.536 16.929 1.00 51.55 H new ATOM 0 HD23 LEU A 89 10.024 22.244 17.117 1.00 51.55 H new ATOM 1422 N GLY A 90 7.140 24.560 19.857 1.00 22.12 N ATOM 1423 CA GLY A 90 7.656 25.734 20.536 1.00 23.32 C ATOM 1424 C GLY A 90 6.889 26.055 21.803 1.00 13.42 C ATOM 1425 O GLY A 90 7.486 26.347 22.840 1.00 20.43 O ATOM 0 H GLY A 90 6.658 24.751 18.978 1.00 22.12 H new ATOM 0 HA2 GLY A 90 8.706 25.576 20.781 1.00 23.32 H new ATOM 0 HA3 GLY A 90 7.611 26.589 19.861 1.00 23.32 H new ATOM 1429 N ARG A 91 5.564 26.002 21.721 1.00 40.33 N ATOM 1430 CA ARG A 91 4.715 26.292 22.870 1.00 41.21 C ATOM 1431 C ARG A 91 5.134 25.461 24.079 1.00 24.44 C ATOM 1432 O ARG A 91 5.427 26.002 25.145 1.00 61.12 O ATOM 1433 CB ARG A 91 3.249 26.015 22.530 1.00 53.11 C ATOM 1434 CG ARG A 91 2.522 27.215 21.945 1.00 41.34 C ATOM 1435 CD ARG A 91 1.943 28.103 23.035 1.00 11.21 C ATOM 1436 NE ARG A 91 0.515 27.872 23.227 1.00 34.34 N ATOM 1437 CZ ARG A 91 -0.236 28.569 24.073 1.00 72.52 C ATOM 1438 NH1 ARG A 91 0.305 29.535 24.802 1.00 50.03 N ATOM 1439 NH2 ARG A 91 -1.530 28.300 24.191 1.00 13.42 N ATOM 0 H ARG A 91 5.055 25.761 20.871 1.00 40.33 H new ATOM 0 HA ARG A 91 4.830 27.347 23.119 1.00 41.21 H new ATOM 0 HB2 ARG A 91 3.199 25.189 21.820 1.00 53.11 H new ATOM 0 HB3 ARG A 91 2.730 25.691 23.432 1.00 53.11 H new ATOM 0 HG2 ARG A 91 3.211 27.794 21.330 1.00 41.34 H new ATOM 0 HG3 ARG A 91 1.721 26.872 21.290 1.00 41.34 H new ATOM 0 HD2 ARG A 91 2.469 27.918 23.971 1.00 11.21 H new ATOM 0 HD3 ARG A 91 2.110 29.149 22.777 1.00 11.21 H new ATOM 0 HE ARG A 91 0.069 27.135 22.682 1.00 34.34 H new ATOM 0 HH11 ARG A 91 1.299 29.744 24.714 1.00 50.03 H new ATOM 0 HH12 ARG A 91 -0.273 30.069 25.451 1.00 50.03 H new ATOM 0 HH21 ARG A 91 -1.950 27.557 23.632 1.00 13.42 H new ATOM 0 HH22 ARG A 91 -2.105 28.836 24.841 1.00 13.42 H new ATOM 1453 N ALA A 92 5.158 24.143 23.906 1.00 64.32 N ATOM 1454 CA ALA A 92 5.541 23.239 24.981 1.00 2.41 C ATOM 1455 C ALA A 92 6.962 23.522 25.457 1.00 12.11 C ATOM 1456 O ALA A 92 7.257 23.433 26.650 1.00 30.21 O ATOM 1457 CB ALA A 92 5.414 21.792 24.525 1.00 51.35 C ATOM 0 H ALA A 92 4.916 23.679 23.031 1.00 64.32 H new ATOM 0 HA ALA A 92 4.865 23.405 25.820 1.00 2.41 H new ATOM 0 HB1 ALA A 92 5.704 21.127 25.339 1.00 51.35 H new ATOM 0 HB2 ALA A 92 4.381 21.589 24.241 1.00 51.35 H new ATOM 0 HB3 ALA A 92 6.066 21.622 23.668 1.00 51.35 H new ATOM 1463 N CYS A 93 7.839 23.862 24.519 1.00 25.33 N ATOM 1464 CA CYS A 93 9.230 24.157 24.842 1.00 33.22 C ATOM 1465 C CYS A 93 9.329 25.376 25.753 1.00 51.21 C ATOM 1466 O CYS A 93 10.289 25.522 26.509 1.00 35.11 O ATOM 1467 CB CYS A 93 10.033 24.395 23.563 1.00 23.11 C ATOM 1468 SG CYS A 93 10.826 22.910 22.902 1.00 53.21 S ATOM 0 H CYS A 93 7.611 23.940 23.528 1.00 25.33 H new ATOM 0 HA CYS A 93 9.645 23.297 25.368 1.00 33.22 H new ATOM 0 HB2 CYS A 93 9.371 24.809 22.803 1.00 23.11 H new ATOM 0 HB3 CYS A 93 10.799 25.145 23.762 1.00 23.11 H new ATOM 0 HG CYS A 93 10.035 22.342 22.041 1.00 53.21 H new ATOM 1474 N GLY A 94 8.331 26.251 25.674 1.00 10.14 N ATOM 1475 CA GLY A 94 8.326 27.447 26.496 1.00 61.03 C ATOM 1476 C GLY A 94 8.750 28.681 25.726 1.00 60.22 C ATOM 1477 O GLY A 94 9.674 29.387 26.130 1.00 62.42 O ATOM 0 H GLY A 94 7.526 26.153 25.055 1.00 10.14 H new ATOM 0 HA2 GLY A 94 7.326 27.601 26.901 1.00 61.03 H new ATOM 0 HA3 GLY A 94 8.995 27.304 27.344 1.00 61.03 H new ATOM 1481 N VAL A 95 8.073 28.943 24.611 1.00 53.02 N ATOM 1482 CA VAL A 95 8.385 30.100 23.781 1.00 51.42 C ATOM 1483 C VAL A 95 7.223 30.443 22.858 1.00 20.54 C ATOM 1484 O VAL A 95 6.554 29.556 22.329 1.00 64.31 O ATOM 1485 CB VAL A 95 9.647 29.859 22.932 1.00 11.15 C ATOM 1486 CG1 VAL A 95 9.490 28.602 22.088 1.00 53.43 C ATOM 1487 CG2 VAL A 95 9.938 31.067 22.056 1.00 43.13 C ATOM 0 H VAL A 95 7.305 28.369 24.263 1.00 53.02 H new ATOM 0 HA VAL A 95 8.566 30.935 24.458 1.00 51.42 H new ATOM 0 HB VAL A 95 10.494 29.714 23.603 1.00 11.15 H new ATOM 0 HG11 VAL A 95 10.391 28.447 21.495 1.00 53.43 H new ATOM 0 HG12 VAL A 95 9.333 27.743 22.740 1.00 53.43 H new ATOM 0 HG13 VAL A 95 8.633 28.714 21.424 1.00 53.43 H new ATOM 0 HG21 VAL A 95 10.833 30.879 21.463 1.00 43.13 H new ATOM 0 HG22 VAL A 95 9.093 31.246 21.391 1.00 43.13 H new ATOM 0 HG23 VAL A 95 10.097 31.943 22.685 1.00 43.13 H new ATOM 1497 N SER A 96 6.987 31.738 22.668 1.00 32.12 N ATOM 1498 CA SER A 96 5.901 32.199 21.810 1.00 41.23 C ATOM 1499 C SER A 96 6.166 31.830 20.354 1.00 64.31 C ATOM 1500 O SER A 96 5.243 31.507 19.606 1.00 21.33 O ATOM 1501 CB SER A 96 5.728 33.714 21.941 1.00 4.41 C ATOM 1502 OG SER A 96 4.518 34.142 21.342 1.00 33.42 O ATOM 0 H SER A 96 7.533 32.486 23.096 1.00 32.12 H new ATOM 0 HA SER A 96 4.983 31.706 22.130 1.00 41.23 H new ATOM 0 HB2 SER A 96 5.735 33.994 22.994 1.00 4.41 H new ATOM 0 HB3 SER A 96 6.570 34.222 21.470 1.00 4.41 H new ATOM 0 HG SER A 96 4.430 35.113 21.440 1.00 33.42 H new ATOM 1508 N ARG A 97 7.434 31.881 19.957 1.00 73.41 N ATOM 1509 CA ARG A 97 7.821 31.554 18.591 1.00 51.12 C ATOM 1510 C ARG A 97 8.146 30.070 18.458 1.00 12.14 C ATOM 1511 O ARG A 97 8.415 29.378 19.441 1.00 4.14 O ATOM 1512 CB ARG A 97 9.029 32.391 18.166 1.00 53.14 C ATOM 1513 CG ARG A 97 8.656 33.727 17.545 1.00 63.13 C ATOM 1514 CD ARG A 97 7.943 34.626 18.543 1.00 64.23 C ATOM 1515 NE ARG A 97 8.284 36.034 18.353 1.00 43.43 N ATOM 1516 CZ ARG A 97 7.839 36.768 17.340 1.00 3.34 C ATOM 1517 NH1 ARG A 97 7.038 36.231 16.429 1.00 43.12 N ATOM 1518 NH2 ARG A 97 8.194 38.042 17.235 1.00 34.14 N ATOM 0 H ARG A 97 8.210 32.146 20.563 1.00 73.41 H new ATOM 0 HA ARG A 97 6.980 31.784 17.937 1.00 51.12 H new ATOM 0 HB2 ARG A 97 9.662 32.568 19.036 1.00 53.14 H new ATOM 0 HB3 ARG A 97 9.622 31.821 17.451 1.00 53.14 H new ATOM 0 HG2 ARG A 97 9.556 34.225 17.183 1.00 63.13 H new ATOM 0 HG3 ARG A 97 8.014 33.561 16.680 1.00 63.13 H new ATOM 0 HD2 ARG A 97 6.865 34.497 18.441 1.00 64.23 H new ATOM 0 HD3 ARG A 97 8.206 34.323 19.556 1.00 64.23 H new ATOM 0 HE ARG A 97 8.898 36.478 19.036 1.00 43.43 H new ATOM 0 HH11 ARG A 97 6.762 35.252 16.506 1.00 43.12 H new ATOM 0 HH12 ARG A 97 6.698 36.797 15.652 1.00 43.12 H new ATOM 0 HH21 ARG A 97 8.810 38.459 17.933 1.00 34.14 H new ATOM 0 HH22 ARG A 97 7.851 38.604 16.456 1.00 34.14 H new ATOM 1532 N PRO A 98 8.120 29.566 17.215 1.00 42.13 N ATOM 1533 CA PRO A 98 8.410 28.159 16.925 1.00 32.11 C ATOM 1534 C PRO A 98 9.879 27.813 17.140 1.00 13.34 C ATOM 1535 O PRO A 98 10.694 28.684 17.443 1.00 42.44 O ATOM 1536 CB PRO A 98 8.038 28.018 15.447 1.00 22.42 C ATOM 1537 CG PRO A 98 8.183 29.391 14.887 1.00 63.14 C ATOM 1538 CD PRO A 98 7.808 30.333 15.998 1.00 22.22 C ATOM 0 HA PRO A 98 7.861 27.486 17.583 1.00 32.11 H new ATOM 0 HB2 PRO A 98 8.695 27.312 14.939 1.00 22.42 H new ATOM 0 HB3 PRO A 98 7.020 27.648 15.329 1.00 22.42 H new ATOM 0 HG2 PRO A 98 9.205 29.570 14.552 1.00 63.14 H new ATOM 0 HG3 PRO A 98 7.535 29.530 14.022 1.00 63.14 H new ATOM 0 HD2 PRO A 98 8.380 31.260 15.949 1.00 22.22 H new ATOM 0 HD3 PRO A 98 6.754 30.606 15.954 1.00 22.22 H new ATOM 1546 N VAL A 99 10.211 26.535 16.980 1.00 73.40 N ATOM 1547 CA VAL A 99 11.583 26.075 17.155 1.00 12.21 C ATOM 1548 C VAL A 99 11.985 25.111 16.045 1.00 22.31 C ATOM 1549 O VAL A 99 11.183 24.286 15.605 1.00 4.40 O ATOM 1550 CB VAL A 99 11.772 25.380 18.517 1.00 14.24 C ATOM 1551 CG1 VAL A 99 10.781 24.236 18.674 1.00 53.20 C ATOM 1552 CG2 VAL A 99 13.201 24.882 18.667 1.00 43.13 C ATOM 0 H VAL A 99 9.549 25.801 16.730 1.00 73.40 H new ATOM 0 HA VAL A 99 12.221 26.958 17.114 1.00 12.21 H new ATOM 0 HB VAL A 99 11.580 26.107 19.306 1.00 14.24 H new ATOM 0 HG11 VAL A 99 10.929 23.757 19.642 1.00 53.20 H new ATOM 0 HG12 VAL A 99 9.764 24.624 18.613 1.00 53.20 H new ATOM 0 HG13 VAL A 99 10.939 23.506 17.880 1.00 53.20 H new ATOM 0 HG21 VAL A 99 13.316 24.394 19.635 1.00 43.13 H new ATOM 0 HG22 VAL A 99 13.423 24.170 17.872 1.00 43.13 H new ATOM 0 HG23 VAL A 99 13.889 25.725 18.602 1.00 43.13 H new ATOM 1562 N ILE A 100 13.230 25.220 15.597 1.00 42.24 N ATOM 1563 CA ILE A 100 13.740 24.356 14.538 1.00 61.44 C ATOM 1564 C ILE A 100 13.999 22.946 15.056 1.00 42.05 C ATOM 1565 O ILE A 100 13.347 21.991 14.637 1.00 45.32 O ATOM 1566 CB ILE A 100 15.040 24.916 13.932 1.00 65.43 C ATOM 1567 CG1 ILE A 100 14.805 26.319 13.370 1.00 72.44 C ATOM 1568 CG2 ILE A 100 15.562 23.986 12.847 1.00 62.01 C ATOM 1569 CD1 ILE A 100 16.082 27.082 13.091 1.00 33.52 C ATOM 0 H ILE A 100 13.905 25.898 15.950 1.00 42.24 H new ATOM 0 HA ILE A 100 12.974 24.320 13.763 1.00 61.44 H new ATOM 0 HB ILE A 100 15.791 24.982 14.720 1.00 65.43 H new ATOM 0 HG12 ILE A 100 14.230 26.240 12.447 1.00 72.44 H new ATOM 0 HG13 ILE A 100 14.199 26.887 14.076 1.00 72.44 H new ATOM 0 HG21 ILE A 100 16.481 24.395 12.428 1.00 62.01 H new ATOM 0 HG22 ILE A 100 15.764 23.004 13.275 1.00 62.01 H new ATOM 0 HG23 ILE A 100 14.815 23.891 12.059 1.00 62.01 H new ATOM 0 HD11 ILE A 100 15.838 28.068 12.695 1.00 33.52 H new ATOM 0 HD12 ILE A 100 16.649 27.193 14.015 1.00 33.52 H new ATOM 0 HD13 ILE A 100 16.680 26.536 12.362 1.00 33.52 H new ATOM 1581 N ALA A 101 14.955 22.825 15.971 1.00 53.21 N ATOM 1582 CA ALA A 101 15.298 21.532 16.550 1.00 1.44 C ATOM 1583 C ALA A 101 15.476 21.637 18.061 1.00 11.42 C ATOM 1584 O ALA A 101 15.885 22.677 18.577 1.00 70.41 O ATOM 1585 CB ALA A 101 16.562 20.983 15.905 1.00 30.23 C ATOM 0 H ALA A 101 15.506 23.606 16.327 1.00 53.21 H new ATOM 0 HA ALA A 101 14.475 20.844 16.354 1.00 1.44 H new ATOM 0 HB1 ALA A 101 16.806 20.017 16.347 1.00 30.23 H new ATOM 0 HB2 ALA A 101 16.401 20.861 14.834 1.00 30.23 H new ATOM 0 HB3 ALA A 101 17.386 21.677 16.071 1.00 30.23 H new ATOM 1591 N CYS A 102 15.165 20.553 18.765 1.00 1.12 N ATOM 1592 CA CYS A 102 15.289 20.524 20.217 1.00 52.52 C ATOM 1593 C CYS A 102 16.020 19.266 20.676 1.00 44.24 C ATOM 1594 O CYS A 102 15.905 18.209 20.055 1.00 50.41 O ATOM 1595 CB CYS A 102 13.908 20.592 20.870 1.00 42.03 C ATOM 1596 SG CYS A 102 12.717 19.407 20.203 1.00 4.34 S ATOM 0 H CYS A 102 14.825 19.684 18.353 1.00 1.12 H new ATOM 0 HA CYS A 102 15.871 21.393 20.524 1.00 52.52 H new ATOM 0 HB2 CYS A 102 14.015 20.419 21.941 1.00 42.03 H new ATOM 0 HB3 CYS A 102 13.509 21.599 20.748 1.00 42.03 H new ATOM 0 HG CYS A 102 11.872 19.071 21.132 1.00 4.34 H new ATOM 1602 N SER A 103 16.772 19.388 21.765 1.00 61.34 N ATOM 1603 CA SER A 103 17.527 18.263 22.303 1.00 12.44 C ATOM 1604 C SER A 103 16.928 17.790 23.625 1.00 51.23 C ATOM 1605 O SER A 103 17.029 18.473 24.644 1.00 3.21 O ATOM 1606 CB SER A 103 18.992 18.652 22.503 1.00 11.31 C ATOM 1607 OG SER A 103 19.354 19.730 21.658 1.00 31.15 O ATOM 0 H SER A 103 16.875 20.255 22.292 1.00 61.34 H new ATOM 0 HA SER A 103 17.472 17.444 21.585 1.00 12.44 H new ATOM 0 HB2 SER A 103 19.159 18.930 23.544 1.00 11.31 H new ATOM 0 HB3 SER A 103 19.631 17.793 22.296 1.00 11.31 H new ATOM 0 HG SER A 103 19.078 19.532 20.739 1.00 31.15 H new ATOM 1613 N VAL A 104 16.305 16.617 23.599 1.00 1.05 N ATOM 1614 CA VAL A 104 15.691 16.050 24.794 1.00 74.03 C ATOM 1615 C VAL A 104 16.733 15.380 25.683 1.00 10.02 C ATOM 1616 O VAL A 104 17.423 14.452 25.258 1.00 61.35 O ATOM 1617 CB VAL A 104 14.602 15.023 24.434 1.00 41.42 C ATOM 1618 CG1 VAL A 104 13.998 14.420 25.693 1.00 4.23 C ATOM 1619 CG2 VAL A 104 13.526 15.668 23.573 1.00 51.01 C ATOM 0 H VAL A 104 16.212 16.040 22.763 1.00 1.05 H new ATOM 0 HA VAL A 104 15.233 16.877 25.336 1.00 74.03 H new ATOM 0 HB VAL A 104 15.062 14.219 23.860 1.00 41.42 H new ATOM 0 HG11 VAL A 104 13.230 13.697 25.418 1.00 4.23 H new ATOM 0 HG12 VAL A 104 14.778 13.921 26.268 1.00 4.23 H new ATOM 0 HG13 VAL A 104 13.552 15.210 26.297 1.00 4.23 H new ATOM 0 HG21 VAL A 104 12.764 14.928 23.328 1.00 51.01 H new ATOM 0 HG22 VAL A 104 13.068 16.492 24.120 1.00 51.01 H new ATOM 0 HG23 VAL A 104 13.974 16.046 22.654 1.00 51.01 H new ATOM 1629 N THR A 105 16.842 15.854 26.920 1.00 31.11 N ATOM 1630 CA THR A 105 17.800 15.301 27.869 1.00 52.11 C ATOM 1631 C THR A 105 17.092 14.567 29.002 1.00 23.25 C ATOM 1632 O THR A 105 16.019 14.979 29.445 1.00 4.40 O ATOM 1633 CB THR A 105 18.697 16.401 28.467 1.00 0.03 C ATOM 1634 OG1 THR A 105 17.949 17.189 29.401 1.00 42.11 O ATOM 1635 CG2 THR A 105 19.257 17.297 27.373 1.00 72.34 C ATOM 0 H THR A 105 16.278 16.620 27.288 1.00 31.11 H new ATOM 0 HA THR A 105 18.421 14.596 27.316 1.00 52.11 H new ATOM 0 HB THR A 105 19.529 15.921 28.982 1.00 0.03 H new ATOM 0 HG1 THR A 105 18.527 17.885 29.778 1.00 42.11 H new ATOM 0 HG21 THR A 105 19.887 18.066 27.820 1.00 72.34 H new ATOM 0 HG22 THR A 105 19.850 16.699 26.681 1.00 72.34 H new ATOM 0 HG23 THR A 105 18.436 17.769 26.833 1.00 72.34 H new ATOM 1643 N ILE A 106 17.697 13.479 29.466 1.00 43.02 N ATOM 1644 CA ILE A 106 17.123 12.689 30.547 1.00 51.55 C ATOM 1645 C ILE A 106 17.853 12.945 31.862 1.00 1.41 C ATOM 1646 O ILE A 106 19.061 13.187 31.877 1.00 33.44 O ATOM 1647 CB ILE A 106 17.171 11.182 30.232 1.00 61.44 C ATOM 1648 CG1 ILE A 106 16.486 10.384 31.342 1.00 31.13 C ATOM 1649 CG2 ILE A 106 18.611 10.724 30.054 1.00 54.20 C ATOM 1650 CD1 ILE A 106 16.226 8.939 30.976 1.00 60.42 C ATOM 0 H ILE A 106 18.585 13.125 29.110 1.00 43.02 H new ATOM 0 HA ILE A 106 16.082 12.998 30.644 1.00 51.55 H new ATOM 0 HB ILE A 106 16.635 11.004 29.300 1.00 61.44 H new ATOM 0 HG12 ILE A 106 17.106 10.417 32.238 1.00 31.13 H new ATOM 0 HG13 ILE A 106 15.539 10.863 31.591 1.00 31.13 H new ATOM 0 HG21 ILE A 106 18.629 9.657 29.832 1.00 54.20 H new ATOM 0 HG22 ILE A 106 19.069 11.273 29.231 1.00 54.20 H new ATOM 0 HG23 ILE A 106 19.169 10.913 30.971 1.00 54.20 H new ATOM 0 HD11 ILE A 106 15.738 8.434 31.810 1.00 60.42 H new ATOM 0 HD12 ILE A 106 15.581 8.896 30.099 1.00 60.42 H new ATOM 0 HD13 ILE A 106 17.172 8.444 30.755 1.00 60.42 H new ATOM 1662 N LYS A 107 17.114 12.889 32.964 1.00 52.31 N ATOM 1663 CA LYS A 107 17.690 13.111 34.285 1.00 11.32 C ATOM 1664 C LYS A 107 18.051 11.787 34.951 1.00 45.32 C ATOM 1665 O LYS A 107 17.288 10.825 34.892 1.00 11.34 O ATOM 1666 CB LYS A 107 16.710 13.887 35.168 1.00 63.10 C ATOM 1667 CG LYS A 107 17.377 14.621 36.318 1.00 3.12 C ATOM 1668 CD LYS A 107 17.682 16.065 35.957 1.00 2.40 C ATOM 1669 CE LYS A 107 19.057 16.201 35.321 1.00 44.02 C ATOM 1670 NZ LYS A 107 19.647 17.547 35.560 1.00 52.33 N ATOM 0 H LYS A 107 16.113 12.691 32.969 1.00 52.31 H new ATOM 0 HA LYS A 107 18.601 13.696 34.162 1.00 11.32 H new ATOM 0 HB2 LYS A 107 16.171 14.607 34.552 1.00 63.10 H new ATOM 0 HB3 LYS A 107 15.970 13.195 35.570 1.00 63.10 H new ATOM 0 HG2 LYS A 107 16.728 14.593 37.193 1.00 3.12 H new ATOM 0 HG3 LYS A 107 18.301 14.110 36.590 1.00 3.12 H new ATOM 0 HD2 LYS A 107 16.923 16.437 35.269 1.00 2.40 H new ATOM 0 HD3 LYS A 107 17.631 16.684 36.853 1.00 2.40 H new ATOM 0 HE2 LYS A 107 19.721 15.436 35.724 1.00 44.02 H new ATOM 0 HE3 LYS A 107 18.980 16.023 34.248 1.00 44.02 H new ATOM 0 HZ1 LYS A 107 20.584 17.600 35.111 1.00 52.33 H new ATOM 0 HZ2 LYS A 107 19.026 18.275 35.153 1.00 52.33 H new ATOM 0 HZ3 LYS A 107 19.744 17.707 36.583 1.00 52.33 H new ATOM 1684 N GLU A 108 19.220 11.748 35.583 1.00 14.31 N ATOM 1685 CA GLU A 108 19.681 10.541 36.261 1.00 32.11 C ATOM 1686 C GLU A 108 18.892 10.303 37.546 1.00 70.44 C ATOM 1687 O GLU A 108 18.771 11.194 38.386 1.00 30.23 O ATOM 1688 CB GLU A 108 21.174 10.646 36.578 1.00 42.11 C ATOM 1689 CG GLU A 108 21.821 9.311 36.905 1.00 53.23 C ATOM 1690 CD GLU A 108 21.728 8.964 38.378 1.00 1.14 C ATOM 1691 OE1 GLU A 108 22.120 9.806 39.212 1.00 1.32 O ATOM 1692 OE2 GLU A 108 21.263 7.850 38.697 1.00 0.13 O ATOM 0 H GLU A 108 19.864 12.537 35.640 1.00 14.31 H new ATOM 0 HA GLU A 108 19.517 9.695 35.593 1.00 32.11 H new ATOM 0 HB2 GLU A 108 21.688 11.090 35.725 1.00 42.11 H new ATOM 0 HB3 GLU A 108 21.311 11.323 37.421 1.00 42.11 H new ATOM 0 HG2 GLU A 108 21.342 8.526 36.320 1.00 53.23 H new ATOM 0 HG3 GLU A 108 22.869 9.337 36.607 1.00 53.23 H new ATOM 1699 N GLY A 109 18.357 9.095 37.691 1.00 60.24 N ATOM 1700 CA GLY A 109 17.587 8.762 38.874 1.00 22.12 C ATOM 1701 C GLY A 109 16.237 9.450 38.900 1.00 13.12 C ATOM 1702 O GLY A 109 15.762 9.861 39.959 1.00 24.31 O ATOM 0 H GLY A 109 18.443 8.341 37.010 1.00 60.24 H new ATOM 0 HA2 GLY A 109 17.442 7.683 38.917 1.00 22.12 H new ATOM 0 HA3 GLY A 109 18.152 9.044 39.763 1.00 22.12 H new ATOM 1706 N SER A 110 15.617 9.578 37.731 1.00 1.12 N ATOM 1707 CA SER A 110 14.315 10.225 37.623 1.00 73.34 C ATOM 1708 C SER A 110 13.260 9.246 37.118 1.00 45.04 C ATOM 1709 O SER A 110 13.562 8.341 36.340 1.00 42.51 O ATOM 1710 CB SER A 110 14.398 11.431 36.685 1.00 71.45 C ATOM 1711 OG SER A 110 14.741 11.032 35.370 1.00 24.44 O ATOM 0 H SER A 110 15.996 9.242 36.845 1.00 1.12 H new ATOM 0 HA SER A 110 14.023 10.565 38.617 1.00 73.34 H new ATOM 0 HB2 SER A 110 13.441 11.952 36.672 1.00 71.45 H new ATOM 0 HB3 SER A 110 15.140 12.136 37.059 1.00 71.45 H new ATOM 0 HG SER A 110 15.655 10.678 35.363 1.00 24.44 H new ATOM 1717 N GLN A 111 12.023 9.436 37.565 1.00 2.15 N ATOM 1718 CA GLN A 111 10.923 8.568 37.159 1.00 43.12 C ATOM 1719 C GLN A 111 10.585 8.772 35.685 1.00 50.20 C ATOM 1720 O GLN A 111 10.061 7.872 35.028 1.00 24.31 O ATOM 1721 CB GLN A 111 9.688 8.838 38.019 1.00 53.43 C ATOM 1722 CG GLN A 111 9.034 10.181 37.740 1.00 23.45 C ATOM 1723 CD GLN A 111 8.447 10.815 38.985 1.00 23.21 C ATOM 1724 OE1 GLN A 111 9.161 11.095 39.948 1.00 53.33 O ATOM 1725 NE2 GLN A 111 7.139 11.045 38.973 1.00 31.02 N ATOM 0 H GLN A 111 11.757 10.182 38.208 1.00 2.15 H new ATOM 0 HA GLN A 111 11.237 7.534 37.302 1.00 43.12 H new ATOM 0 HB2 GLN A 111 8.958 8.046 37.851 1.00 53.43 H new ATOM 0 HB3 GLN A 111 9.971 8.793 39.071 1.00 53.43 H new ATOM 0 HG2 GLN A 111 9.771 10.857 37.306 1.00 23.45 H new ATOM 0 HG3 GLN A 111 8.246 10.050 36.998 1.00 23.45 H new ATOM 0 HE21 GLN A 111 6.585 10.797 38.153 1.00 31.02 H new ATOM 0 HE22 GLN A 111 6.688 11.470 39.784 1.00 31.02 H new ATOM 1734 N LEU A 112 10.889 9.959 35.173 1.00 4.14 N ATOM 1735 CA LEU A 112 10.617 10.281 33.776 1.00 32.34 C ATOM 1736 C LEU A 112 11.303 9.288 32.844 1.00 4.41 C ATOM 1737 O LEU A 112 10.881 9.095 31.704 1.00 24.33 O ATOM 1738 CB LEU A 112 11.086 11.702 33.460 1.00 21.42 C ATOM 1739 CG LEU A 112 10.222 12.834 34.018 1.00 71.01 C ATOM 1740 CD1 LEU A 112 10.805 14.187 33.641 1.00 21.42 C ATOM 1741 CD2 LEU A 112 8.790 12.709 33.517 1.00 73.34 C ATOM 0 H LEU A 112 11.324 10.714 35.703 1.00 4.14 H new ATOM 0 HA LEU A 112 9.541 10.216 33.617 1.00 32.34 H new ATOM 0 HB2 LEU A 112 12.099 11.822 33.843 1.00 21.42 H new ATOM 0 HB3 LEU A 112 11.140 11.813 32.377 1.00 21.42 H new ATOM 0 HG LEU A 112 10.213 12.756 35.105 1.00 71.01 H new ATOM 0 HD11 LEU A 112 10.177 14.980 34.047 1.00 21.42 H new ATOM 0 HD12 LEU A 112 11.811 14.276 34.050 1.00 21.42 H new ATOM 0 HD13 LEU A 112 10.846 14.276 32.555 1.00 21.42 H new ATOM 0 HD21 LEU A 112 8.190 13.523 33.924 1.00 73.34 H new ATOM 0 HD22 LEU A 112 8.780 12.760 32.428 1.00 73.34 H new ATOM 0 HD23 LEU A 112 8.374 11.755 33.839 1.00 73.34 H new ATOM 1753 N LYS A 113 12.364 8.658 33.336 1.00 53.20 N ATOM 1754 CA LYS A 113 13.109 7.681 32.550 1.00 73.22 C ATOM 1755 C LYS A 113 12.174 6.629 31.965 1.00 11.45 C ATOM 1756 O LYS A 113 12.367 6.172 30.839 1.00 42.04 O ATOM 1757 CB LYS A 113 14.177 7.007 33.416 1.00 62.33 C ATOM 1758 CG LYS A 113 15.102 6.090 32.634 1.00 74.54 C ATOM 1759 CD LYS A 113 15.024 4.659 33.139 1.00 42.11 C ATOM 1760 CE LYS A 113 15.599 4.531 34.541 1.00 32.14 C ATOM 1761 NZ LYS A 113 16.990 4.000 34.524 1.00 13.32 N ATOM 0 H LYS A 113 12.728 8.807 34.277 1.00 53.20 H new ATOM 0 HA LYS A 113 13.596 8.206 31.728 1.00 73.22 H new ATOM 0 HB2 LYS A 113 14.772 7.776 33.909 1.00 62.33 H new ATOM 0 HB3 LYS A 113 13.687 6.432 34.201 1.00 62.33 H new ATOM 0 HG2 LYS A 113 14.837 6.119 31.577 1.00 74.54 H new ATOM 0 HG3 LYS A 113 16.127 6.450 32.715 1.00 74.54 H new ATOM 0 HD2 LYS A 113 13.985 4.328 33.139 1.00 42.11 H new ATOM 0 HD3 LYS A 113 15.568 4.002 32.460 1.00 42.11 H new ATOM 0 HE2 LYS A 113 15.589 5.506 35.028 1.00 32.14 H new ATOM 0 HE3 LYS A 113 14.966 3.871 35.134 1.00 32.14 H new ATOM 0 HZ1 LYS A 113 17.346 3.928 35.499 1.00 13.32 H new ATOM 0 HZ2 LYS A 113 16.997 3.059 34.082 1.00 13.32 H new ATOM 0 HZ3 LYS A 113 17.600 4.642 33.979 1.00 13.32 H new ATOM 1775 N GLN A 114 11.161 6.247 32.738 1.00 24.22 N ATOM 1776 CA GLN A 114 10.196 5.248 32.293 1.00 54.41 C ATOM 1777 C GLN A 114 9.408 5.750 31.089 1.00 24.21 C ATOM 1778 O GLN A 114 9.040 4.973 30.209 1.00 0.54 O ATOM 1779 CB GLN A 114 9.239 4.892 33.432 1.00 1.11 C ATOM 1780 CG GLN A 114 8.248 5.996 33.762 1.00 43.02 C ATOM 1781 CD GLN A 114 7.926 6.069 35.241 1.00 54.14 C ATOM 1782 OE1 GLN A 114 8.790 5.841 36.088 1.00 53.12 O ATOM 1783 NE2 GLN A 114 6.678 6.389 35.561 1.00 11.41 N ATOM 0 H GLN A 114 10.988 6.614 33.674 1.00 24.22 H new ATOM 0 HA GLN A 114 10.746 4.355 31.996 1.00 54.41 H new ATOM 0 HB2 GLN A 114 8.689 3.990 33.165 1.00 1.11 H new ATOM 0 HB3 GLN A 114 9.820 4.658 34.324 1.00 1.11 H new ATOM 0 HG2 GLN A 114 8.654 6.953 33.435 1.00 43.02 H new ATOM 0 HG3 GLN A 114 7.328 5.832 33.201 1.00 43.02 H new ATOM 0 HE21 GLN A 114 5.994 6.570 34.827 1.00 11.41 H new ATOM 0 HE22 GLN A 114 6.403 6.454 36.541 1.00 11.41 H new ATOM 1792 N GLN A 115 9.152 7.055 31.057 1.00 2.34 N ATOM 1793 CA GLN A 115 8.406 7.659 29.960 1.00 60.43 C ATOM 1794 C GLN A 115 9.316 7.932 28.767 1.00 50.33 C ATOM 1795 O GLN A 115 9.035 7.502 27.648 1.00 52.21 O ATOM 1796 CB GLN A 115 7.745 8.960 30.421 1.00 32.03 C ATOM 1797 CG GLN A 115 6.780 8.774 31.580 1.00 22.33 C ATOM 1798 CD GLN A 115 5.329 8.792 31.140 1.00 23.13 C ATOM 1799 OE1 GLN A 115 4.589 7.834 31.364 1.00 22.35 O ATOM 1800 NE2 GLN A 115 4.915 9.885 30.510 1.00 32.34 N ATOM 0 H GLN A 115 9.450 7.713 31.777 1.00 2.34 H new ATOM 0 HA GLN A 115 7.633 6.956 29.650 1.00 60.43 H new ATOM 0 HB2 GLN A 115 8.520 9.668 30.715 1.00 32.03 H new ATOM 0 HB3 GLN A 115 7.210 9.404 29.581 1.00 32.03 H new ATOM 0 HG2 GLN A 115 6.993 7.828 32.077 1.00 22.33 H new ATOM 0 HG3 GLN A 115 6.943 9.563 32.314 1.00 22.33 H new ATOM 0 HE21 GLN A 115 5.563 10.655 30.346 1.00 32.34 H new ATOM 0 HE22 GLN A 115 3.949 9.954 30.190 1.00 32.34 H new ATOM 1809 N ILE A 116 10.407 8.650 29.014 1.00 11.43 N ATOM 1810 CA ILE A 116 11.358 8.979 27.960 1.00 54.44 C ATOM 1811 C ILE A 116 11.792 7.730 27.200 1.00 34.44 C ATOM 1812 O ILE A 116 12.063 7.785 26.002 1.00 24.51 O ATOM 1813 CB ILE A 116 12.608 9.678 28.529 1.00 62.40 C ATOM 1814 CG1 ILE A 116 12.210 10.957 29.271 1.00 0.51 C ATOM 1815 CG2 ILE A 116 13.593 9.993 27.413 1.00 22.13 C ATOM 1816 CD1 ILE A 116 13.370 11.642 29.958 1.00 42.34 C ATOM 0 H ILE A 116 10.654 9.014 29.934 1.00 11.43 H new ATOM 0 HA ILE A 116 10.849 9.659 27.277 1.00 54.44 H new ATOM 0 HB ILE A 116 13.093 9.005 29.236 1.00 62.40 H new ATOM 0 HG12 ILE A 116 11.756 11.651 28.564 1.00 0.51 H new ATOM 0 HG13 ILE A 116 11.450 10.715 30.014 1.00 0.51 H new ATOM 0 HG21 ILE A 116 14.471 10.486 27.831 1.00 22.13 H new ATOM 0 HG22 ILE A 116 13.896 9.068 26.923 1.00 22.13 H new ATOM 0 HG23 ILE A 116 13.119 10.651 26.684 1.00 22.13 H new ATOM 0 HD11 ILE A 116 13.015 12.540 30.463 1.00 42.34 H new ATOM 0 HD12 ILE A 116 13.811 10.965 30.689 1.00 42.34 H new ATOM 0 HD13 ILE A 116 14.121 11.915 29.217 1.00 42.34 H new ATOM 1828 N GLN A 117 11.851 6.605 27.907 1.00 21.01 N ATOM 1829 CA GLN A 117 12.250 5.342 27.297 1.00 33.33 C ATOM 1830 C GLN A 117 11.228 4.893 26.257 1.00 45.44 C ATOM 1831 O GLN A 117 11.590 4.496 25.149 1.00 30.22 O ATOM 1832 CB GLN A 117 12.410 4.262 28.369 1.00 51.23 C ATOM 1833 CG GLN A 117 13.820 4.166 28.929 1.00 1.31 C ATOM 1834 CD GLN A 117 14.577 2.963 28.400 1.00 61.53 C ATOM 1835 OE1 GLN A 117 14.278 1.823 28.755 1.00 2.13 O ATOM 1836 NE2 GLN A 117 15.563 3.213 27.546 1.00 2.44 N ATOM 0 H GLN A 117 11.628 6.543 28.900 1.00 21.01 H new ATOM 0 HA GLN A 117 13.207 5.495 26.798 1.00 33.33 H new ATOM 0 HB2 GLN A 117 11.717 4.466 29.185 1.00 51.23 H new ATOM 0 HB3 GLN A 117 12.129 3.297 27.946 1.00 51.23 H new ATOM 0 HG2 GLN A 117 14.369 5.074 28.680 1.00 1.31 H new ATOM 0 HG3 GLN A 117 13.772 4.111 30.017 1.00 1.31 H new ATOM 0 HE21 GLN A 117 15.776 4.174 27.280 1.00 2.44 H new ATOM 0 HE22 GLN A 117 16.107 2.444 27.156 1.00 2.44 H new ATOM 1845 N SER A 118 9.952 4.959 26.621 1.00 63.42 N ATOM 1846 CA SER A 118 8.878 4.556 25.720 1.00 30.33 C ATOM 1847 C SER A 118 8.996 5.273 24.379 1.00 4.02 C ATOM 1848 O SER A 118 8.980 4.641 23.322 1.00 24.12 O ATOM 1849 CB SER A 118 7.516 4.851 26.351 1.00 71.53 C ATOM 1850 OG SER A 118 6.471 4.226 25.627 1.00 51.33 O ATOM 0 H SER A 118 9.636 5.288 27.533 1.00 63.42 H new ATOM 0 HA SER A 118 8.966 3.483 25.548 1.00 30.33 H new ATOM 0 HB2 SER A 118 7.507 4.501 27.383 1.00 71.53 H new ATOM 0 HB3 SER A 118 7.350 5.928 26.378 1.00 71.53 H new ATOM 0 HG SER A 118 5.612 4.429 26.052 1.00 51.33 H new ATOM 1856 N ILE A 119 9.116 6.595 24.430 1.00 32.24 N ATOM 1857 CA ILE A 119 9.238 7.398 23.220 1.00 64.11 C ATOM 1858 C ILE A 119 10.533 7.083 22.479 1.00 1.01 C ATOM 1859 O ILE A 119 10.550 6.991 21.252 1.00 3.04 O ATOM 1860 CB ILE A 119 9.195 8.905 23.538 1.00 5.12 C ATOM 1861 CG1 ILE A 119 7.889 9.262 24.249 1.00 15.15 C ATOM 1862 CG2 ILE A 119 9.349 9.719 22.262 1.00 50.14 C ATOM 1863 CD1 ILE A 119 7.776 10.726 24.609 1.00 43.14 C ATOM 0 H ILE A 119 9.131 7.133 25.297 1.00 32.24 H new ATOM 0 HA ILE A 119 8.389 7.144 22.586 1.00 64.11 H new ATOM 0 HB ILE A 119 10.025 9.145 24.202 1.00 5.12 H new ATOM 0 HG12 ILE A 119 7.050 8.988 23.609 1.00 15.15 H new ATOM 0 HG13 ILE A 119 7.805 8.666 25.157 1.00 15.15 H new ATOM 0 HG21 ILE A 119 9.317 10.782 22.502 1.00 50.14 H new ATOM 0 HG22 ILE A 119 10.304 9.482 21.792 1.00 50.14 H new ATOM 0 HG23 ILE A 119 8.537 9.477 21.576 1.00 50.14 H new ATOM 0 HD11 ILE A 119 6.825 10.905 25.110 1.00 43.14 H new ATOM 0 HD12 ILE A 119 8.594 11.001 25.275 1.00 43.14 H new ATOM 0 HD13 ILE A 119 7.828 11.329 23.702 1.00 43.14 H new ATOM 1875 N GLN A 120 11.614 6.916 23.234 1.00 40.43 N ATOM 1876 CA GLN A 120 12.913 6.610 22.648 1.00 44.41 C ATOM 1877 C GLN A 120 12.831 5.375 21.757 1.00 41.44 C ATOM 1878 O GLN A 120 13.394 5.350 20.663 1.00 30.21 O ATOM 1879 CB GLN A 120 13.954 6.391 23.748 1.00 61.02 C ATOM 1880 CG GLN A 120 15.388 6.558 23.272 1.00 30.40 C ATOM 1881 CD GLN A 120 16.362 6.764 24.414 1.00 13.55 C ATOM 1882 OE1 GLN A 120 17.191 7.674 24.383 1.00 12.23 O ATOM 1883 NE2 GLN A 120 16.267 5.917 25.433 1.00 3.11 N ATOM 0 H GLN A 120 11.616 6.987 24.251 1.00 40.43 H new ATOM 0 HA GLN A 120 13.215 7.459 22.035 1.00 44.41 H new ATOM 0 HB2 GLN A 120 13.766 7.094 24.560 1.00 61.02 H new ATOM 0 HB3 GLN A 120 13.831 5.389 24.159 1.00 61.02 H new ATOM 0 HG2 GLN A 120 15.683 5.676 22.703 1.00 30.40 H new ATOM 0 HG3 GLN A 120 15.445 7.409 22.593 1.00 30.40 H new ATOM 0 HE21 GLN A 120 15.565 5.177 25.417 1.00 3.11 H new ATOM 0 HE22 GLN A 120 16.896 6.007 26.231 1.00 3.11 H new ATOM 1892 N GLN A 121 12.128 4.353 22.233 1.00 33.22 N ATOM 1893 CA GLN A 121 11.973 3.114 21.480 1.00 44.21 C ATOM 1894 C GLN A 121 11.053 3.318 20.282 1.00 25.41 C ATOM 1895 O GLN A 121 11.260 2.730 19.220 1.00 62.01 O ATOM 1896 CB GLN A 121 11.420 2.009 22.381 1.00 61.24 C ATOM 1897 CG GLN A 121 12.497 1.130 22.996 1.00 0.31 C ATOM 1898 CD GLN A 121 12.230 -0.348 22.793 1.00 21.24 C ATOM 1899 OE1 GLN A 121 11.735 -1.031 23.690 1.00 71.31 O ATOM 1900 NE2 GLN A 121 12.556 -0.852 21.608 1.00 73.14 N ATOM 0 H GLN A 121 11.656 4.358 23.137 1.00 33.22 H new ATOM 0 HA GLN A 121 12.956 2.815 21.114 1.00 44.21 H new ATOM 0 HB2 GLN A 121 10.833 2.463 23.180 1.00 61.24 H new ATOM 0 HB3 GLN A 121 10.740 1.385 21.801 1.00 61.24 H new ATOM 0 HG2 GLN A 121 13.462 1.384 22.558 1.00 0.31 H new ATOM 0 HG3 GLN A 121 12.566 1.340 24.063 1.00 0.31 H new ATOM 0 HE21 GLN A 121 12.964 -0.250 20.893 1.00 73.14 H new ATOM 0 HE22 GLN A 121 12.398 -1.841 21.413 1.00 73.14 H new ATOM 1909 N SER A 122 10.034 4.153 20.459 1.00 32.13 N ATOM 1910 CA SER A 122 9.078 4.430 19.393 1.00 31.13 C ATOM 1911 C SER A 122 9.793 4.915 18.136 1.00 24.13 C ATOM 1912 O SER A 122 9.586 4.380 17.046 1.00 31.03 O ATOM 1913 CB SER A 122 8.061 5.478 19.851 1.00 44.21 C ATOM 1914 OG SER A 122 7.424 5.079 21.052 1.00 55.35 O ATOM 0 H SER A 122 9.849 4.650 21.331 1.00 32.13 H new ATOM 0 HA SER A 122 8.554 3.504 19.158 1.00 31.13 H new ATOM 0 HB2 SER A 122 8.562 6.434 20.002 1.00 44.21 H new ATOM 0 HB3 SER A 122 7.314 5.629 19.072 1.00 44.21 H new ATOM 0 HG SER A 122 8.070 5.102 21.788 1.00 55.35 H new ATOM 1920 N ILE A 123 10.634 5.931 18.294 1.00 14.12 N ATOM 1921 CA ILE A 123 11.380 6.488 17.173 1.00 13.54 C ATOM 1922 C ILE A 123 12.411 5.492 16.650 1.00 31.42 C ATOM 1923 O ILE A 123 12.641 5.399 15.445 1.00 52.14 O ATOM 1924 CB ILE A 123 12.097 7.792 17.566 1.00 61.44 C ATOM 1925 CG1 ILE A 123 11.103 8.782 18.176 1.00 21.30 C ATOM 1926 CG2 ILE A 123 12.786 8.403 16.355 1.00 51.42 C ATOM 1927 CD1 ILE A 123 11.757 10.018 18.753 1.00 51.52 C ATOM 0 H ILE A 123 10.816 6.386 19.189 1.00 14.12 H new ATOM 0 HA ILE A 123 10.655 6.704 16.388 1.00 13.54 H new ATOM 0 HB ILE A 123 12.856 7.561 18.313 1.00 61.44 H new ATOM 0 HG12 ILE A 123 10.387 9.083 17.411 1.00 21.30 H new ATOM 0 HG13 ILE A 123 10.538 8.280 18.961 1.00 21.30 H new ATOM 0 HG21 ILE A 123 13.289 9.325 16.649 1.00 51.42 H new ATOM 0 HG22 ILE A 123 13.519 7.700 15.960 1.00 51.42 H new ATOM 0 HG23 ILE A 123 12.044 8.623 15.587 1.00 51.42 H new ATOM 0 HD11 ILE A 123 10.992 10.674 19.168 1.00 51.52 H new ATOM 0 HD12 ILE A 123 12.452 9.728 19.541 1.00 51.52 H new ATOM 0 HD13 ILE A 123 12.299 10.544 17.967 1.00 51.52 H new ATOM 1939 N GLU A 124 13.025 4.748 17.565 1.00 24.44 N ATOM 1940 CA GLU A 124 14.029 3.758 17.195 1.00 64.21 C ATOM 1941 C GLU A 124 13.448 2.725 16.234 1.00 62.30 C ATOM 1942 O GLU A 124 14.080 2.359 15.244 1.00 24.54 O ATOM 1943 CB GLU A 124 14.573 3.060 18.443 1.00 41.01 C ATOM 1944 CG GLU A 124 16.089 3.096 18.549 1.00 65.43 C ATOM 1945 CD GLU A 124 16.579 2.938 19.975 1.00 31.53 C ATOM 1946 OE1 GLU A 124 15.820 3.288 20.904 1.00 44.23 O ATOM 1947 OE2 GLU A 124 17.718 2.464 20.163 1.00 21.34 O ATOM 0 H GLU A 124 12.845 4.812 18.567 1.00 24.44 H new ATOM 0 HA GLU A 124 14.845 4.277 16.692 1.00 64.21 H new ATOM 0 HB2 GLU A 124 14.144 3.530 19.328 1.00 41.01 H new ATOM 0 HB3 GLU A 124 14.242 2.022 18.442 1.00 41.01 H new ATOM 0 HG2 GLU A 124 16.511 2.301 17.934 1.00 65.43 H new ATOM 0 HG3 GLU A 124 16.455 4.040 18.146 1.00 65.43 H new ATOM 1954 N ARG A 125 12.239 2.260 16.536 1.00 42.05 N ATOM 1955 CA ARG A 125 11.573 1.268 15.701 1.00 65.33 C ATOM 1956 C ARG A 125 11.509 1.734 14.248 1.00 35.33 C ATOM 1957 O ARG A 125 11.516 0.921 13.323 1.00 75.45 O ATOM 1958 CB ARG A 125 10.161 0.997 16.223 1.00 64.03 C ATOM 1959 CG ARG A 125 10.114 -0.025 17.348 1.00 60.51 C ATOM 1960 CD ARG A 125 9.782 -1.413 16.825 1.00 21.13 C ATOM 1961 NE ARG A 125 9.898 -2.432 17.865 1.00 54.40 N ATOM 1962 CZ ARG A 125 11.060 -2.874 18.335 1.00 74.42 C ATOM 1963 NH1 ARG A 125 12.198 -2.389 17.859 1.00 2.23 N ATOM 1964 NH2 ARG A 125 11.084 -3.803 19.282 1.00 60.14 N ATOM 0 H ARG A 125 11.702 2.554 17.352 1.00 42.05 H new ATOM 0 HA ARG A 125 12.153 0.346 15.744 1.00 65.33 H new ATOM 0 HB2 ARG A 125 9.727 1.933 16.575 1.00 64.03 H new ATOM 0 HB3 ARG A 125 9.539 0.647 15.399 1.00 64.03 H new ATOM 0 HG2 ARG A 125 11.076 -0.048 17.860 1.00 60.51 H new ATOM 0 HG3 ARG A 125 9.368 0.276 18.084 1.00 60.51 H new ATOM 0 HD2 ARG A 125 8.768 -1.417 16.425 1.00 21.13 H new ATOM 0 HD3 ARG A 125 10.451 -1.659 16.000 1.00 21.13 H new ATOM 0 HE ARG A 125 9.040 -2.826 18.252 1.00 54.40 H new ATOM 0 HH11 ARG A 125 12.183 -1.675 17.131 1.00 2.23 H new ATOM 0 HH12 ARG A 125 13.089 -2.730 18.221 1.00 2.23 H new ATOM 0 HH21 ARG A 125 10.210 -4.179 19.650 1.00 60.14 H new ATOM 0 HH22 ARG A 125 11.976 -4.141 19.642 1.00 60.14 H new ATOM 1978 N LEU A 126 11.445 3.047 14.057 1.00 71.11 N ATOM 1979 CA LEU A 126 11.380 3.622 12.718 1.00 23.41 C ATOM 1980 C LEU A 126 12.771 3.990 12.214 1.00 40.21 C ATOM 1981 O LEU A 126 13.027 3.991 11.009 1.00 25.01 O ATOM 1982 CB LEU A 126 10.481 4.861 12.717 1.00 3.32 C ATOM 1983 CG LEU A 126 9.025 4.633 13.123 1.00 24.30 C ATOM 1984 CD1 LEU A 126 8.285 5.958 13.224 1.00 43.22 C ATOM 1985 CD2 LEU A 126 8.333 3.709 12.131 1.00 61.52 C ATOM 0 H LEU A 126 11.437 3.733 14.812 1.00 71.11 H new ATOM 0 HA LEU A 126 10.958 2.873 12.048 1.00 23.41 H new ATOM 0 HB2 LEU A 126 10.914 5.600 13.391 1.00 3.32 H new ATOM 0 HB3 LEU A 126 10.495 5.295 11.717 1.00 3.32 H new ATOM 0 HG LEU A 126 9.012 4.157 14.103 1.00 24.30 H new ATOM 0 HD11 LEU A 126 7.250 5.776 13.514 1.00 43.22 H new ATOM 0 HD12 LEU A 126 8.766 6.587 13.973 1.00 43.22 H new ATOM 0 HD13 LEU A 126 8.308 6.462 12.258 1.00 43.22 H new ATOM 0 HD21 LEU A 126 7.297 3.558 12.436 1.00 61.52 H new ATOM 0 HD22 LEU A 126 8.357 4.158 11.138 1.00 61.52 H new ATOM 0 HD23 LEU A 126 8.848 2.749 12.108 1.00 61.52 H new ATOM 1997 N LEU A 127 13.669 4.299 13.143 1.00 33.03 N ATOM 1998 CA LEU A 127 15.037 4.666 12.794 1.00 11.04 C ATOM 1999 C LEU A 127 15.690 3.583 11.941 1.00 21.52 C ATOM 2000 O LEU A 127 16.022 3.811 10.777 1.00 1.03 O ATOM 2001 CB LEU A 127 15.862 4.901 14.060 1.00 12.55 C ATOM 2002 CG LEU A 127 15.700 6.268 14.723 1.00 74.30 C ATOM 2003 CD1 LEU A 127 16.515 6.340 16.005 1.00 54.21 C ATOM 2004 CD2 LEU A 127 16.109 7.378 13.766 1.00 1.05 C ATOM 0 H LEU A 127 13.474 4.303 14.144 1.00 33.03 H new ATOM 0 HA LEU A 127 15.003 5.588 12.214 1.00 11.04 H new ATOM 0 HB2 LEU A 127 15.600 4.133 14.788 1.00 12.55 H new ATOM 0 HB3 LEU A 127 16.915 4.761 13.815 1.00 12.55 H new ATOM 0 HG LEU A 127 14.649 6.404 14.977 1.00 74.30 H new ATOM 0 HD11 LEU A 127 16.387 7.321 16.463 1.00 54.21 H new ATOM 0 HD12 LEU A 127 16.174 5.569 16.697 1.00 54.21 H new ATOM 0 HD13 LEU A 127 17.569 6.181 15.776 1.00 54.21 H new ATOM 0 HD21 LEU A 127 15.987 8.344 14.256 1.00 1.05 H new ATOM 0 HD22 LEU A 127 17.152 7.246 13.480 1.00 1.05 H new ATOM 0 HD23 LEU A 127 15.481 7.341 12.876 1.00 1.05 H new