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 117 GLN : amide:sc= -0.0632 X(o=-0.13,f=-0.5) USER MOD Set 1.2: A 121 GLN : amide:sc= -0.0684 K(o=-0.13,f=-5.5!) USER MOD Set 2.1: A 34 GLN : amide:sc= -2.17 K(o=-2.2,f=-9.2!) USER MOD Set 2.2: A 105 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 28 GLN : amide:sc= 0 K(o=-0.31,f=-1) USER MOD Set 3.2: A 115 GLN : amide:sc= -0.307 X(o=-0.31,f=-0.022) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc=-0.00792 X(o=-0.0079,f=-0.011) USER MOD Single : A 19 THR OG1 : rot -6:sc= 0.183 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 X(o=0,f=-0.15) USER MOD Single : A 29 SER OG : rot -160:sc= 0 USER MOD Single : A 30 CYS SG : rot -162:sc= -0.105 USER MOD Single : A 31 ASN : amide:sc= -0.0671 K(o=-0.067,f=-0.89) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0871) USER MOD Single : A 40 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.55!) USER MOD Single : A 43 THR OG1 : rot 81:sc= 1.37 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -57:sc= -0.868 USER MOD Single : A 47 ASN : amide:sc=-0.00377 K(o=-0.0038,f=-1.3) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 146:sc= -3.74! (180deg=-4.75!) USER MOD Single : A 68 HIS : no HD1:sc= -0.71 X(o=-0.71,f=-1.1) USER MOD Single : A 80 TYR OH : rot 180:sc= -0.214 USER MOD Single : A 85 SER OG : rot 6:sc= 0.167 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.0588 X(o=-0.059,f=-0.33) USER MOD Single : A 93 CYS SG : rot -6:sc= 0.0732 USER MOD Single : A 96 SER OG : rot -91:sc= 0.094 USER MOD Single : A 102 CYS SG : rot -51:sc= -3.03! USER MOD Single : A 103 SER OG : rot 70:sc= -0.355 USER MOD Single : A 107 LYS NZ :NH3+ -161:sc= -0.019 (180deg=-0.215) USER MOD Single : A 110 SER OG : rot 180:sc= -0.109 USER MOD Single : A 111 GLN : amide:sc= -0.0246 X(o=-0.025,f=0.38) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.023) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= 0.315 X(o=0.31,f=0.63) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 13.379 13.668 6.159 1.00 33.31 N ATOM 136 CA ALA A 10 12.597 14.056 7.326 1.00 13.40 C ATOM 137 C ALA A 10 11.755 12.892 7.835 1.00 20.43 C ATOM 138 O ALA A 10 10.537 13.008 7.974 1.00 64.40 O ATOM 139 CB ALA A 10 11.709 15.247 6.992 1.00 62.54 C ATOM 0 HA ALA A 10 13.289 14.342 8.118 1.00 13.40 H new ATOM 0 HB1 ALA A 10 11.130 15.527 7.872 1.00 62.54 H new ATOM 0 HB2 ALA A 10 12.330 16.088 6.683 1.00 62.54 H new ATOM 0 HB3 ALA A 10 11.031 14.979 6.182 1.00 62.54 H new ATOM 145 N TYR A 11 12.410 11.769 8.110 1.00 54.45 N ATOM 146 CA TYR A 11 11.720 10.582 8.600 1.00 74.55 C ATOM 147 C TYR A 11 12.423 10.014 9.829 1.00 2.24 C ATOM 148 O TYR A 11 13.597 10.284 10.086 1.00 24.03 O ATOM 149 CB TYR A 11 11.649 9.519 7.502 1.00 42.33 C ATOM 150 CG TYR A 11 10.279 9.386 6.878 1.00 4.54 C ATOM 151 CD1 TYR A 11 9.638 10.486 6.320 1.00 65.05 C ATOM 152 CD2 TYR A 11 9.624 8.161 6.846 1.00 1.32 C ATOM 153 CE1 TYR A 11 8.386 10.370 5.749 1.00 24.10 C ATOM 154 CE2 TYR A 11 8.371 8.035 6.274 1.00 62.22 C ATOM 155 CZ TYR A 11 7.756 9.143 5.728 1.00 71.42 C ATOM 156 OH TYR A 11 6.509 9.022 5.160 1.00 10.14 O ATOM 0 H TYR A 11 13.418 11.656 8.002 1.00 54.45 H new ATOM 0 HA TYR A 11 10.708 10.870 8.883 1.00 74.55 H new ATOM 0 HB2 TYR A 11 12.372 9.764 6.724 1.00 42.33 H new ATOM 0 HB3 TYR A 11 11.944 8.556 7.920 1.00 42.33 H new ATOM 0 HD1 TYR A 11 10.128 11.448 6.333 1.00 65.05 H new ATOM 0 HD2 TYR A 11 10.101 7.292 7.275 1.00 1.32 H new ATOM 0 HE1 TYR A 11 7.902 11.236 5.321 1.00 24.10 H new ATOM 0 HE2 TYR A 11 7.877 7.075 6.255 1.00 62.22 H new ATOM 0 HH TYR A 11 6.208 8.092 5.227 1.00 10.14 H new ATOM 166 N PRO A 12 11.689 9.205 10.607 1.00 44.44 N ATOM 167 CA PRO A 12 10.291 8.877 10.312 1.00 1.23 C ATOM 168 C PRO A 12 9.361 10.070 10.505 1.00 30.44 C ATOM 169 O PRO A 12 9.786 11.134 10.957 1.00 63.22 O ATOM 170 CB PRO A 12 9.963 7.774 11.322 1.00 63.24 C ATOM 171 CG PRO A 12 10.906 8.005 12.453 1.00 33.13 C ATOM 172 CD PRO A 12 12.166 8.550 11.837 1.00 25.13 C ATOM 0 HA PRO A 12 10.155 8.576 9.273 1.00 1.23 H new ATOM 0 HB2 PRO A 12 8.926 7.835 11.652 1.00 63.24 H new ATOM 0 HB3 PRO A 12 10.101 6.784 10.887 1.00 63.24 H new ATOM 0 HG2 PRO A 12 10.487 8.709 13.173 1.00 33.13 H new ATOM 0 HG3 PRO A 12 11.104 7.078 12.992 1.00 33.13 H new ATOM 0 HD2 PRO A 12 12.665 9.256 12.501 1.00 25.13 H new ATOM 0 HD3 PRO A 12 12.882 7.758 11.619 1.00 25.13 H new ATOM 180 N LEU A 13 8.092 9.887 10.160 1.00 24.15 N ATOM 181 CA LEU A 13 7.101 10.949 10.297 1.00 33.34 C ATOM 182 C LEU A 13 5.929 10.493 11.160 1.00 21.40 C ATOM 183 O LEU A 13 5.185 9.586 10.785 1.00 11.31 O ATOM 184 CB LEU A 13 6.596 11.383 8.920 1.00 31.52 C ATOM 185 CG LEU A 13 5.732 12.644 8.888 1.00 70.12 C ATOM 186 CD1 LEU A 13 6.458 13.805 9.552 1.00 34.41 C ATOM 187 CD2 LEU A 13 5.356 12.997 7.457 1.00 71.13 C ATOM 0 H LEU A 13 7.724 9.013 9.783 1.00 24.15 H new ATOM 0 HA LEU A 13 7.580 11.797 10.786 1.00 33.34 H new ATOM 0 HB2 LEU A 13 7.458 11.541 8.272 1.00 31.52 H new ATOM 0 HB3 LEU A 13 6.021 10.562 8.491 1.00 31.52 H new ATOM 0 HG LEU A 13 4.816 12.448 9.445 1.00 70.12 H new ATOM 0 HD11 LEU A 13 5.828 14.694 9.520 1.00 34.41 H new ATOM 0 HD12 LEU A 13 6.676 13.552 10.590 1.00 34.41 H new ATOM 0 HD13 LEU A 13 7.390 14.002 9.023 1.00 34.41 H new ATOM 0 HD21 LEU A 13 4.741 13.897 7.454 1.00 71.13 H new ATOM 0 HD22 LEU A 13 6.261 13.174 6.876 1.00 71.13 H new ATOM 0 HD23 LEU A 13 4.796 12.173 7.014 1.00 71.13 H new ATOM 199 N ALA A 14 5.770 11.127 12.316 1.00 4.21 N ATOM 200 CA ALA A 14 4.686 10.789 13.231 1.00 51.33 C ATOM 201 C ALA A 14 3.430 11.596 12.915 1.00 73.30 C ATOM 202 O ALA A 14 3.465 12.826 12.873 1.00 13.20 O ATOM 203 CB ALA A 14 5.118 11.023 14.671 1.00 10.52 C ATOM 0 H ALA A 14 6.378 11.878 12.642 1.00 4.21 H new ATOM 0 HA ALA A 14 4.450 9.733 13.102 1.00 51.33 H new ATOM 0 HB1 ALA A 14 4.299 10.767 15.343 1.00 10.52 H new ATOM 0 HB2 ALA A 14 5.982 10.399 14.898 1.00 10.52 H new ATOM 0 HB3 ALA A 14 5.383 12.072 14.806 1.00 10.52 H new ATOM 209 N ASP A 15 2.323 10.895 12.695 1.00 50.25 N ATOM 210 CA ASP A 15 1.056 11.547 12.383 1.00 42.13 C ATOM 211 C ASP A 15 0.698 12.578 13.450 1.00 60.41 C ATOM 212 O ASP A 15 1.351 12.661 14.489 1.00 64.43 O ATOM 213 CB ASP A 15 -0.060 10.509 12.265 1.00 23.42 C ATOM 214 CG ASP A 15 -0.063 9.527 13.421 1.00 62.21 C ATOM 215 OD1 ASP A 15 0.833 8.656 13.463 1.00 44.50 O ATOM 216 OD2 ASP A 15 -0.958 9.630 14.286 1.00 14.42 O ATOM 0 H ASP A 15 2.277 9.877 12.727 1.00 50.25 H new ATOM 0 HA ASP A 15 1.166 12.062 11.428 1.00 42.13 H new ATOM 0 HB2 ASP A 15 -1.023 11.018 12.222 1.00 23.42 H new ATOM 0 HB3 ASP A 15 0.053 9.963 11.329 1.00 23.42 H new ATOM 221 N ALA A 16 -0.342 13.361 13.183 1.00 30.41 N ATOM 222 CA ALA A 16 -0.786 14.386 14.120 1.00 32.15 C ATOM 223 C ALA A 16 -1.239 13.765 15.438 1.00 50.42 C ATOM 224 O ALA A 16 -1.155 14.395 16.493 1.00 34.33 O ATOM 225 CB ALA A 16 -1.910 15.208 13.508 1.00 4.45 C ATOM 0 H ALA A 16 -0.893 13.305 12.326 1.00 30.41 H new ATOM 0 HA ALA A 16 0.058 15.043 14.329 1.00 32.15 H new ATOM 0 HB1 ALA A 16 -2.232 15.970 14.218 1.00 4.45 H new ATOM 0 HB2 ALA A 16 -1.555 15.689 12.597 1.00 4.45 H new ATOM 0 HB3 ALA A 16 -2.750 14.555 13.270 1.00 4.45 H new ATOM 231 N HIS A 17 -1.720 12.527 15.370 1.00 61.44 N ATOM 232 CA HIS A 17 -2.185 11.822 16.559 1.00 53.14 C ATOM 233 C HIS A 17 -1.008 11.369 17.418 1.00 40.43 C ATOM 234 O HIS A 17 -1.092 11.356 18.646 1.00 45.22 O ATOM 235 CB HIS A 17 -3.035 10.615 16.161 1.00 3.11 C ATOM 236 CG HIS A 17 -4.233 10.411 17.037 1.00 51.40 C ATOM 237 ND1 HIS A 17 -4.449 9.258 17.759 1.00 1.23 N ATOM 238 CD2 HIS A 17 -5.282 11.225 17.305 1.00 33.32 C ATOM 239 CE1 HIS A 17 -5.581 9.368 18.433 1.00 60.21 C ATOM 240 NE2 HIS A 17 -6.105 10.553 18.175 1.00 13.33 N ATOM 0 H HIS A 17 -1.798 11.992 14.505 1.00 61.44 H new ATOM 0 HA HIS A 17 -2.795 12.510 17.144 1.00 53.14 H new ATOM 0 HB2 HIS A 17 -3.366 10.738 15.130 1.00 3.11 H new ATOM 0 HB3 HIS A 17 -2.416 9.719 16.192 1.00 3.11 H new ATOM 0 HD2 HIS A 17 -5.441 12.217 16.909 1.00 33.32 H new ATOM 0 HE1 HIS A 17 -6.005 8.617 19.083 1.00 60.21 H new ATOM 0 HE2 HIS A 17 -6.979 10.911 18.560 1.00 13.33 H new ATOM 248 N LEU A 18 0.087 10.998 16.764 1.00 61.32 N ATOM 249 CA LEU A 18 1.281 10.544 17.468 1.00 51.11 C ATOM 250 C LEU A 18 2.029 11.720 18.087 1.00 23.13 C ATOM 251 O LEU A 18 2.443 11.666 19.246 1.00 12.41 O ATOM 252 CB LEU A 18 2.203 9.786 16.511 1.00 24.51 C ATOM 253 CG LEU A 18 2.309 8.277 16.735 1.00 1.12 C ATOM 254 CD1 LEU A 18 3.154 7.633 15.647 1.00 74.45 C ATOM 255 CD2 LEU A 18 2.889 7.981 18.110 1.00 34.23 C ATOM 0 H LEU A 18 0.173 11.003 15.748 1.00 61.32 H new ATOM 0 HA LEU A 18 0.968 9.874 18.269 1.00 51.11 H new ATOM 0 HB2 LEU A 18 1.857 9.958 15.492 1.00 24.51 H new ATOM 0 HB3 LEU A 18 3.202 10.215 16.585 1.00 24.51 H new ATOM 0 HG LEU A 18 1.307 7.851 16.687 1.00 1.12 H new ATOM 0 HD11 LEU A 18 3.218 6.559 15.824 1.00 74.45 H new ATOM 0 HD12 LEU A 18 2.695 7.814 14.675 1.00 74.45 H new ATOM 0 HD13 LEU A 18 4.155 8.063 15.662 1.00 74.45 H new ATOM 0 HD21 LEU A 18 2.957 6.902 18.252 1.00 34.23 H new ATOM 0 HD22 LEU A 18 3.883 8.421 18.188 1.00 34.23 H new ATOM 0 HD23 LEU A 18 2.243 8.408 18.877 1.00 34.23 H new ATOM 267 N THR A 19 2.196 12.784 17.309 1.00 51.45 N ATOM 268 CA THR A 19 2.892 13.975 17.781 1.00 75.43 C ATOM 269 C THR A 19 2.295 14.478 19.090 1.00 63.42 C ATOM 270 O THR A 19 2.993 15.061 19.920 1.00 63.43 O ATOM 271 CB THR A 19 2.841 15.107 16.738 1.00 1.12 C ATOM 272 OG1 THR A 19 1.482 15.382 16.380 1.00 63.32 O ATOM 273 CG2 THR A 19 3.632 14.732 15.494 1.00 13.00 C ATOM 0 H THR A 19 1.859 12.846 16.348 1.00 51.45 H new ATOM 0 HA THR A 19 3.931 13.689 17.945 1.00 75.43 H new ATOM 0 HB THR A 19 3.288 15.998 17.179 1.00 1.12 H new ATOM 0 HG1 THR A 19 0.893 14.723 16.802 1.00 63.32 H new ATOM 0 HG21 THR A 19 3.582 15.547 14.772 1.00 13.00 H new ATOM 0 HG22 THR A 19 4.672 14.551 15.765 1.00 13.00 H new ATOM 0 HG23 THR A 19 3.210 13.829 15.053 1.00 13.00 H new ATOM 281 N LYS A 20 0.999 14.250 19.270 1.00 11.05 N ATOM 282 CA LYS A 20 0.307 14.679 20.480 1.00 1.02 C ATOM 283 C LYS A 20 0.980 14.108 21.723 1.00 20.54 C ATOM 284 O LYS A 20 1.077 14.777 22.752 1.00 12.23 O ATOM 285 CB LYS A 20 -1.160 14.241 20.435 1.00 52.21 C ATOM 286 CG LYS A 20 -2.134 15.340 20.822 1.00 74.04 C ATOM 287 CD LYS A 20 -3.247 14.811 21.711 1.00 13.11 C ATOM 288 CE LYS A 20 -4.395 15.804 21.817 1.00 31.31 C ATOM 289 NZ LYS A 20 -5.405 15.600 20.742 1.00 22.12 N ATOM 0 H LYS A 20 0.406 13.770 18.593 1.00 11.05 H new ATOM 0 HA LYS A 20 0.355 15.767 20.530 1.00 1.02 H new ATOM 0 HB2 LYS A 20 -1.397 13.895 19.429 1.00 52.21 H new ATOM 0 HB3 LYS A 20 -1.298 13.392 21.105 1.00 52.21 H new ATOM 0 HG2 LYS A 20 -1.599 16.135 21.341 1.00 74.04 H new ATOM 0 HG3 LYS A 20 -2.564 15.780 19.922 1.00 74.04 H new ATOM 0 HD2 LYS A 20 -3.617 13.867 21.310 1.00 13.11 H new ATOM 0 HD3 LYS A 20 -2.852 14.602 22.705 1.00 13.11 H new ATOM 0 HE2 LYS A 20 -4.875 15.702 22.790 1.00 31.31 H new ATOM 0 HE3 LYS A 20 -4.003 16.820 21.760 1.00 31.31 H new ATOM 0 HZ1 LYS A 20 -6.171 16.296 20.849 1.00 22.12 H new ATOM 0 HZ2 LYS A 20 -4.953 15.722 19.813 1.00 22.12 H new ATOM 0 HZ3 LYS A 20 -5.798 14.639 20.812 1.00 22.12 H new ATOM 303 N LYS A 21 1.445 12.867 21.621 1.00 61.32 N ATOM 304 CA LYS A 21 2.113 12.207 22.737 1.00 34.24 C ATOM 305 C LYS A 21 3.519 12.765 22.938 1.00 4.43 C ATOM 306 O LYS A 21 3.981 12.919 24.069 1.00 0.35 O ATOM 307 CB LYS A 21 2.182 10.697 22.495 1.00 53.32 C ATOM 308 CG LYS A 21 1.175 9.904 23.308 1.00 32.13 C ATOM 309 CD LYS A 21 0.613 8.736 22.514 1.00 53.40 C ATOM 310 CE LYS A 21 -0.810 9.009 22.052 1.00 11.53 C ATOM 311 NZ LYS A 21 -1.791 8.871 23.164 1.00 33.31 N ATOM 0 H LYS A 21 1.372 12.298 20.777 1.00 61.32 H new ATOM 0 HA LYS A 21 1.533 12.399 23.640 1.00 34.24 H new ATOM 0 HB2 LYS A 21 2.017 10.499 21.436 1.00 53.32 H new ATOM 0 HB3 LYS A 21 3.186 10.345 22.733 1.00 53.32 H new ATOM 0 HG2 LYS A 21 1.651 9.533 24.216 1.00 32.13 H new ATOM 0 HG3 LYS A 21 0.361 10.559 23.619 1.00 32.13 H new ATOM 0 HD2 LYS A 21 1.247 8.545 21.648 1.00 53.40 H new ATOM 0 HD3 LYS A 21 0.631 7.835 23.128 1.00 53.40 H new ATOM 0 HE2 LYS A 21 -0.870 10.015 21.637 1.00 11.53 H new ATOM 0 HE3 LYS A 21 -1.070 8.318 21.250 1.00 11.53 H new ATOM 0 HZ1 LYS A 21 -2.749 9.065 22.808 1.00 33.31 H new ATOM 0 HZ2 LYS A 21 -1.752 7.903 23.543 1.00 33.31 H new ATOM 0 HZ3 LYS A 21 -1.558 9.548 23.918 1.00 33.31 H new ATOM 325 N LEU A 22 4.193 13.067 21.834 1.00 42.11 N ATOM 326 CA LEU A 22 5.546 13.611 21.889 1.00 31.32 C ATOM 327 C LEU A 22 5.562 14.964 22.593 1.00 2.33 C ATOM 328 O LEU A 22 6.439 15.240 23.412 1.00 2.20 O ATOM 329 CB LEU A 22 6.118 13.750 20.478 1.00 34.12 C ATOM 330 CG LEU A 22 7.368 14.622 20.343 1.00 25.02 C ATOM 331 CD1 LEU A 22 8.506 14.056 21.177 1.00 72.11 C ATOM 332 CD2 LEU A 22 7.780 14.740 18.883 1.00 44.21 C ATOM 0 H LEU A 22 3.825 12.945 20.890 1.00 42.11 H new ATOM 0 HA LEU A 22 6.166 12.919 22.459 1.00 31.32 H new ATOM 0 HB2 LEU A 22 6.352 12.754 20.103 1.00 34.12 H new ATOM 0 HB3 LEU A 22 5.342 14.160 19.832 1.00 34.12 H new ATOM 0 HG LEU A 22 7.135 15.620 20.715 1.00 25.02 H new ATOM 0 HD11 LEU A 22 9.387 14.689 21.068 1.00 72.11 H new ATOM 0 HD12 LEU A 22 8.208 14.025 22.225 1.00 72.11 H new ATOM 0 HD13 LEU A 22 8.740 13.047 20.836 1.00 72.11 H new ATOM 0 HD21 LEU A 22 8.671 15.364 18.806 1.00 44.21 H new ATOM 0 HD22 LEU A 22 7.995 13.749 18.484 1.00 44.21 H new ATOM 0 HD23 LEU A 22 6.969 15.192 18.312 1.00 44.21 H new ATOM 344 N LEU A 23 4.584 15.804 22.268 1.00 23.10 N ATOM 345 CA LEU A 23 4.484 17.129 22.871 1.00 1.21 C ATOM 346 C LEU A 23 4.460 17.035 24.393 1.00 71.53 C ATOM 347 O LEU A 23 5.005 17.894 25.087 1.00 40.10 O ATOM 348 CB LEU A 23 3.225 17.842 22.374 1.00 14.45 C ATOM 349 CG LEU A 23 3.447 18.976 21.373 1.00 73.05 C ATOM 350 CD1 LEU A 23 3.895 18.423 20.029 1.00 3.25 C ATOM 351 CD2 LEU A 23 2.181 19.805 21.216 1.00 21.11 C ATOM 0 H LEU A 23 3.851 15.591 21.592 1.00 23.10 H new ATOM 0 HA LEU A 23 5.362 17.703 22.575 1.00 1.21 H new ATOM 0 HB2 LEU A 23 2.570 17.102 21.915 1.00 14.45 H new ATOM 0 HB3 LEU A 23 2.695 18.245 23.237 1.00 14.45 H new ATOM 0 HG LEU A 23 4.236 19.623 21.757 1.00 73.05 H new ATOM 0 HD11 LEU A 23 4.048 19.245 19.330 1.00 3.25 H new ATOM 0 HD12 LEU A 23 4.829 17.875 20.154 1.00 3.25 H new ATOM 0 HD13 LEU A 23 3.130 17.752 19.638 1.00 3.25 H new ATOM 0 HD21 LEU A 23 2.358 20.607 20.500 1.00 21.11 H new ATOM 0 HD22 LEU A 23 1.372 19.169 20.856 1.00 21.11 H new ATOM 0 HD23 LEU A 23 1.905 20.233 22.180 1.00 21.11 H new ATOM 363 N ASP A 24 3.829 15.985 24.906 1.00 71.50 N ATOM 364 CA ASP A 24 3.738 15.776 26.347 1.00 72.42 C ATOM 365 C ASP A 24 5.125 15.609 26.960 1.00 40.31 C ATOM 366 O ASP A 24 5.409 16.142 28.034 1.00 24.12 O ATOM 367 CB ASP A 24 2.881 14.546 26.652 1.00 43.32 C ATOM 368 CG ASP A 24 1.902 14.790 27.784 1.00 12.41 C ATOM 369 OD1 ASP A 24 2.159 15.693 28.607 1.00 43.40 O ATOM 370 OD2 ASP A 24 0.879 14.078 27.846 1.00 21.04 O ATOM 0 H ASP A 24 3.373 15.265 24.346 1.00 71.50 H new ATOM 0 HA ASP A 24 3.268 16.655 26.788 1.00 72.42 H new ATOM 0 HB2 ASP A 24 2.332 14.258 25.756 1.00 43.32 H new ATOM 0 HB3 ASP A 24 3.530 13.709 26.911 1.00 43.32 H new ATOM 375 N LEU A 25 5.985 14.867 26.273 1.00 31.50 N ATOM 376 CA LEU A 25 7.343 14.628 26.751 1.00 53.11 C ATOM 377 C LEU A 25 8.147 15.925 26.773 1.00 31.21 C ATOM 378 O LEU A 25 8.662 16.330 27.816 1.00 1.13 O ATOM 379 CB LEU A 25 8.043 13.596 25.864 1.00 2.50 C ATOM 380 CG LEU A 25 8.551 12.340 26.572 1.00 34.35 C ATOM 381 CD1 LEU A 25 9.420 12.712 27.763 1.00 54.31 C ATOM 382 CD2 LEU A 25 7.385 11.466 27.011 1.00 61.33 C ATOM 0 H LEU A 25 5.767 14.420 25.383 1.00 31.50 H new ATOM 0 HA LEU A 25 7.282 14.241 27.768 1.00 53.11 H new ATOM 0 HB2 LEU A 25 7.351 13.292 25.079 1.00 2.50 H new ATOM 0 HB3 LEU A 25 8.888 14.080 25.374 1.00 2.50 H new ATOM 0 HG LEU A 25 9.160 11.772 25.869 1.00 34.35 H new ATOM 0 HD11 LEU A 25 9.772 11.805 28.254 1.00 54.31 H new ATOM 0 HD12 LEU A 25 10.275 13.295 27.421 1.00 54.31 H new ATOM 0 HD13 LEU A 25 8.836 13.303 28.469 1.00 54.31 H new ATOM 0 HD21 LEU A 25 7.766 10.577 27.513 1.00 61.33 H new ATOM 0 HD22 LEU A 25 6.749 12.026 27.697 1.00 61.33 H new ATOM 0 HD23 LEU A 25 6.804 11.169 26.138 1.00 61.33 H new ATOM 394 N VAL A 26 8.250 16.572 25.616 1.00 24.35 N ATOM 395 CA VAL A 26 8.987 17.824 25.504 1.00 75.15 C ATOM 396 C VAL A 26 8.476 18.855 26.503 1.00 51.44 C ATOM 397 O VAL A 26 9.258 19.591 27.105 1.00 4.12 O ATOM 398 CB VAL A 26 8.888 18.409 24.083 1.00 14.15 C ATOM 399 CG1 VAL A 26 9.638 19.729 23.995 1.00 14.43 C ATOM 400 CG2 VAL A 26 9.419 17.415 23.060 1.00 52.34 C ATOM 0 H VAL A 26 7.832 16.249 24.743 1.00 24.35 H new ATOM 0 HA VAL A 26 10.030 17.597 25.723 1.00 75.15 H new ATOM 0 HB VAL A 26 7.838 18.600 23.860 1.00 14.15 H new ATOM 0 HG11 VAL A 26 9.557 20.127 22.984 1.00 14.43 H new ATOM 0 HG12 VAL A 26 9.207 20.440 24.700 1.00 14.43 H new ATOM 0 HG13 VAL A 26 10.688 19.568 24.238 1.00 14.43 H new ATOM 0 HG21 VAL A 26 9.342 17.844 22.061 1.00 52.34 H new ATOM 0 HG22 VAL A 26 10.463 17.191 23.279 1.00 52.34 H new ATOM 0 HG23 VAL A 26 8.833 16.497 23.107 1.00 52.34 H new ATOM 410 N GLN A 27 7.159 18.903 26.674 1.00 23.22 N ATOM 411 CA GLN A 27 6.542 19.845 27.601 1.00 62.50 C ATOM 412 C GLN A 27 6.887 19.493 29.044 1.00 22.22 C ATOM 413 O GLN A 27 7.261 20.362 29.832 1.00 34.32 O ATOM 414 CB GLN A 27 5.024 19.856 27.414 1.00 42.15 C ATOM 415 CG GLN A 27 4.319 20.930 28.229 1.00 52.11 C ATOM 416 CD GLN A 27 2.919 21.220 27.725 1.00 22.43 C ATOM 417 OE1 GLN A 27 2.222 20.325 27.247 1.00 22.23 O ATOM 418 NE2 GLN A 27 2.500 22.475 27.829 1.00 22.51 N ATOM 0 H GLN A 27 6.498 18.301 26.183 1.00 23.22 H new ATOM 0 HA GLN A 27 6.934 20.839 27.386 1.00 62.50 H new ATOM 0 HB2 GLN A 27 4.797 20.005 26.358 1.00 42.15 H new ATOM 0 HB3 GLN A 27 4.625 18.880 27.691 1.00 42.15 H new ATOM 0 HG2 GLN A 27 4.268 20.615 29.271 1.00 52.11 H new ATOM 0 HG3 GLN A 27 4.908 21.847 28.202 1.00 52.11 H new ATOM 0 HE21 GLN A 27 3.111 23.185 28.232 1.00 22.51 H new ATOM 0 HE22 GLN A 27 1.567 22.729 27.506 1.00 22.51 H new ATOM 427 N GLN A 28 6.756 18.214 29.384 1.00 34.00 N ATOM 428 CA GLN A 28 7.053 17.748 30.734 1.00 51.21 C ATOM 429 C GLN A 28 8.503 18.044 31.105 1.00 51.10 C ATOM 430 O GLN A 28 8.807 18.364 32.254 1.00 4.43 O ATOM 431 CB GLN A 28 6.781 16.248 30.849 1.00 44.22 C ATOM 432 CG GLN A 28 5.452 15.920 31.512 1.00 62.12 C ATOM 433 CD GLN A 28 5.068 14.462 31.358 1.00 61.53 C ATOM 434 OE1 GLN A 28 5.890 13.628 30.978 1.00 13.34 O ATOM 435 NE2 GLN A 28 3.813 14.146 31.656 1.00 44.51 N ATOM 0 H GLN A 28 6.446 17.483 28.744 1.00 34.00 H new ATOM 0 HA GLN A 28 6.403 18.282 31.427 1.00 51.21 H new ATOM 0 HB2 GLN A 28 6.799 15.806 29.853 1.00 44.22 H new ATOM 0 HB3 GLN A 28 7.586 15.784 31.418 1.00 44.22 H new ATOM 0 HG2 GLN A 28 5.508 16.167 32.572 1.00 62.12 H new ATOM 0 HG3 GLN A 28 4.671 16.545 31.080 1.00 62.12 H new ATOM 0 HE21 GLN A 28 3.165 14.870 31.967 1.00 44.51 H new ATOM 0 HE22 GLN A 28 3.497 13.180 31.574 1.00 44.51 H new ATOM 444 N SER A 29 9.394 17.936 30.124 1.00 23.52 N ATOM 445 CA SER A 29 10.813 18.187 30.350 1.00 2.44 C ATOM 446 C SER A 29 11.024 19.542 31.017 1.00 73.14 C ATOM 447 O SER A 29 11.729 19.648 32.022 1.00 50.42 O ATOM 448 CB SER A 29 11.578 18.132 29.027 1.00 14.32 C ATOM 449 OG SER A 29 12.695 17.264 29.118 1.00 44.32 O ATOM 0 H SER A 29 9.159 17.677 29.166 1.00 23.52 H new ATOM 0 HA SER A 29 11.194 17.411 31.014 1.00 2.44 H new ATOM 0 HB2 SER A 29 10.913 17.792 28.233 1.00 14.32 H new ATOM 0 HB3 SER A 29 11.913 19.133 28.755 1.00 14.32 H new ATOM 0 HG SER A 29 13.333 17.476 28.405 1.00 44.32 H new ATOM 455 N CYS A 30 10.410 20.576 30.452 1.00 20.55 N ATOM 456 CA CYS A 30 10.531 21.925 30.991 1.00 65.11 C ATOM 457 C CYS A 30 10.043 21.981 32.435 1.00 22.51 C ATOM 458 O CYS A 30 10.485 22.819 33.219 1.00 70.03 O ATOM 459 CB CYS A 30 9.737 22.912 30.134 1.00 70.03 C ATOM 460 SG CYS A 30 10.132 22.842 28.370 1.00 64.41 S ATOM 0 H CYS A 30 9.823 20.505 29.621 1.00 20.55 H new ATOM 0 HA CYS A 30 11.585 22.203 30.972 1.00 65.11 H new ATOM 0 HB2 CYS A 30 8.673 22.716 30.265 1.00 70.03 H new ATOM 0 HB3 CYS A 30 9.922 23.923 30.497 1.00 70.03 H new ATOM 0 HG CYS A 30 9.714 23.927 27.788 1.00 64.41 H new ATOM 466 N ASN A 31 9.127 21.081 32.779 1.00 21.21 N ATOM 467 CA ASN A 31 8.577 21.028 34.128 1.00 65.34 C ATOM 468 C ASN A 31 9.644 20.612 35.136 1.00 12.20 C ATOM 469 O ASN A 31 9.559 20.944 36.319 1.00 60.31 O ATOM 470 CB ASN A 31 7.400 20.052 34.185 1.00 15.50 C ATOM 471 CG ASN A 31 6.338 20.483 35.178 1.00 22.44 C ATOM 472 OD1 ASN A 31 6.587 21.319 36.046 1.00 33.31 O ATOM 473 ND2 ASN A 31 5.146 19.909 35.055 1.00 53.03 N ATOM 0 H ASN A 31 8.750 20.379 32.142 1.00 21.21 H new ATOM 0 HA ASN A 31 8.226 22.027 34.388 1.00 65.34 H new ATOM 0 HB2 ASN A 31 6.954 19.967 33.194 1.00 15.50 H new ATOM 0 HB3 ASN A 31 7.766 19.062 34.456 1.00 15.50 H new ATOM 0 HD21 ASN A 31 4.392 20.157 35.696 1.00 53.03 H new ATOM 0 HD22 ASN A 31 4.985 19.221 34.320 1.00 53.03 H new ATOM 480 N TYR A 32 10.649 19.886 34.658 1.00 24.40 N ATOM 481 CA TYR A 32 11.733 19.423 35.518 1.00 12.12 C ATOM 482 C TYR A 32 12.926 20.372 35.447 1.00 3.11 C ATOM 483 O TYR A 32 14.064 19.976 35.697 1.00 74.30 O ATOM 484 CB TYR A 32 12.164 18.013 35.114 1.00 62.40 C ATOM 485 CG TYR A 32 11.322 16.921 35.736 1.00 14.35 C ATOM 486 CD1 TYR A 32 11.627 16.411 36.991 1.00 2.34 C ATOM 487 CD2 TYR A 32 10.221 16.400 35.065 1.00 72.12 C ATOM 488 CE1 TYR A 32 10.860 15.413 37.562 1.00 53.21 C ATOM 489 CE2 TYR A 32 9.449 15.403 35.629 1.00 11.42 C ATOM 490 CZ TYR A 32 9.772 14.913 36.877 1.00 55.05 C ATOM 491 OH TYR A 32 9.005 13.920 37.442 1.00 50.14 O ATOM 0 H TYR A 32 10.736 19.606 33.681 1.00 24.40 H new ATOM 0 HA TYR A 32 11.367 19.404 36.545 1.00 12.12 H new ATOM 0 HB2 TYR A 32 12.115 17.924 34.029 1.00 62.40 H new ATOM 0 HB3 TYR A 32 13.205 17.865 35.400 1.00 62.40 H new ATOM 0 HD1 TYR A 32 12.478 16.801 37.530 1.00 2.34 H new ATOM 0 HD2 TYR A 32 9.965 16.781 34.087 1.00 72.12 H new ATOM 0 HE1 TYR A 32 11.111 15.027 38.539 1.00 53.21 H new ATOM 0 HE2 TYR A 32 8.597 15.009 35.095 1.00 11.42 H new ATOM 0 HH TYR A 32 8.277 13.681 36.831 1.00 50.14 H new ATOM 501 N LYS A 33 12.656 21.628 35.106 1.00 62.41 N ATOM 502 CA LYS A 33 13.704 22.635 35.005 1.00 52.31 C ATOM 503 C LYS A 33 14.767 22.214 33.995 1.00 52.41 C ATOM 504 O LYS A 33 15.925 22.621 34.093 1.00 22.21 O ATOM 505 CB LYS A 33 14.350 22.869 36.373 1.00 41.42 C ATOM 506 CG LYS A 33 14.366 24.329 36.796 1.00 35.34 C ATOM 507 CD LYS A 33 15.257 24.548 38.006 1.00 71.04 C ATOM 508 CE LYS A 33 16.465 25.406 37.661 1.00 31.22 C ATOM 509 NZ LYS A 33 17.404 24.697 36.747 1.00 44.14 N ATOM 0 H LYS A 33 11.719 21.972 34.895 1.00 62.41 H new ATOM 0 HA LYS A 33 13.248 23.564 34.662 1.00 52.31 H new ATOM 0 HB2 LYS A 33 13.814 22.288 37.123 1.00 41.42 H new ATOM 0 HB3 LYS A 33 15.373 22.494 36.351 1.00 41.42 H new ATOM 0 HG2 LYS A 33 14.717 24.945 35.968 1.00 35.34 H new ATOM 0 HG3 LYS A 33 13.351 24.653 37.027 1.00 35.34 H new ATOM 0 HD2 LYS A 33 14.684 25.027 38.799 1.00 71.04 H new ATOM 0 HD3 LYS A 33 15.592 23.585 38.392 1.00 71.04 H new ATOM 0 HE2 LYS A 33 16.131 26.332 37.193 1.00 31.22 H new ATOM 0 HE3 LYS A 33 16.988 25.682 38.577 1.00 31.22 H new ATOM 0 HZ1 LYS A 33 18.214 25.314 36.535 1.00 44.14 H new ATOM 0 HZ2 LYS A 33 17.742 23.826 37.204 1.00 44.14 H new ATOM 0 HZ3 LYS A 33 16.912 24.456 35.863 1.00 44.14 H new ATOM 523 N GLN A 34 14.366 21.400 33.025 1.00 13.24 N ATOM 524 CA GLN A 34 15.285 20.926 31.996 1.00 42.54 C ATOM 525 C GLN A 34 14.662 21.051 30.610 1.00 44.53 C ATOM 526 O GLN A 34 13.503 20.688 30.403 1.00 61.11 O ATOM 527 CB GLN A 34 15.676 19.472 32.263 1.00 64.31 C ATOM 528 CG GLN A 34 14.520 18.495 32.121 1.00 1.04 C ATOM 529 CD GLN A 34 14.915 17.070 32.457 1.00 42.11 C ATOM 530 OE1 GLN A 34 14.201 16.369 33.174 1.00 64.23 O ATOM 531 NE2 GLN A 34 16.057 16.634 31.940 1.00 53.41 N ATOM 0 H GLN A 34 13.411 21.054 32.929 1.00 13.24 H new ATOM 0 HA GLN A 34 16.180 21.548 32.029 1.00 42.54 H new ATOM 0 HB2 GLN A 34 16.470 19.185 31.573 1.00 64.31 H new ATOM 0 HB3 GLN A 34 16.085 19.394 33.270 1.00 64.31 H new ATOM 0 HG2 GLN A 34 13.705 18.806 32.774 1.00 1.04 H new ATOM 0 HG3 GLN A 34 14.142 18.532 31.099 1.00 1.04 H new ATOM 0 HE21 GLN A 34 16.618 17.249 31.351 1.00 53.41 H new ATOM 0 HE22 GLN A 34 16.374 15.684 32.132 1.00 53.41 H new ATOM 540 N LEU A 35 15.437 21.568 29.663 1.00 64.23 N ATOM 541 CA LEU A 35 14.961 21.742 28.295 1.00 72.51 C ATOM 542 C LEU A 35 16.113 22.095 27.359 1.00 1.30 C ATOM 543 O LEU A 35 17.232 22.349 27.804 1.00 64.22 O ATOM 544 CB LEU A 35 13.891 22.833 28.241 1.00 32.35 C ATOM 545 CG LEU A 35 14.094 24.019 29.184 1.00 11.32 C ATOM 546 CD1 LEU A 35 15.441 24.677 28.931 1.00 63.34 C ATOM 547 CD2 LEU A 35 12.967 25.029 29.020 1.00 24.34 C ATOM 0 H LEU A 35 16.398 21.874 29.817 1.00 64.23 H new ATOM 0 HA LEU A 35 14.525 20.799 27.965 1.00 72.51 H new ATOM 0 HB2 LEU A 35 13.837 23.211 27.220 1.00 32.35 H new ATOM 0 HB3 LEU A 35 12.926 22.379 28.464 1.00 32.35 H new ATOM 0 HG LEU A 35 14.079 23.650 30.210 1.00 11.32 H new ATOM 0 HD11 LEU A 35 15.568 25.519 29.611 1.00 63.34 H new ATOM 0 HD12 LEU A 35 16.237 23.952 29.099 1.00 63.34 H new ATOM 0 HD13 LEU A 35 15.485 25.032 27.902 1.00 63.34 H new ATOM 0 HD21 LEU A 35 13.127 25.867 29.699 1.00 24.34 H new ATOM 0 HD22 LEU A 35 12.951 25.392 27.993 1.00 24.34 H new ATOM 0 HD23 LEU A 35 12.015 24.552 29.251 1.00 24.34 H new ATOM 559 N ARG A 36 15.829 22.113 26.061 1.00 30.43 N ATOM 560 CA ARG A 36 16.840 22.437 25.062 1.00 51.34 C ATOM 561 C ARG A 36 16.191 22.898 23.760 1.00 31.03 C ATOM 562 O ARG A 36 15.456 22.146 23.120 1.00 3.23 O ATOM 563 CB ARG A 36 17.734 21.224 24.797 1.00 10.32 C ATOM 564 CG ARG A 36 19.198 21.579 24.592 1.00 3.31 C ATOM 565 CD ARG A 36 19.891 21.867 25.914 1.00 63.11 C ATOM 566 NE ARG A 36 21.318 22.123 25.739 1.00 12.14 N ATOM 567 CZ ARG A 36 21.812 23.289 25.335 1.00 21.33 C ATOM 568 NH1 ARG A 36 20.998 24.300 25.068 1.00 52.40 N ATOM 569 NH2 ARG A 36 23.122 23.444 25.200 1.00 50.23 N ATOM 0 H ARG A 36 14.907 21.907 25.677 1.00 30.43 H new ATOM 0 HA ARG A 36 17.451 23.252 25.452 1.00 51.34 H new ATOM 0 HB2 ARG A 36 17.651 20.532 25.635 1.00 10.32 H new ATOM 0 HB3 ARG A 36 17.369 20.700 23.914 1.00 10.32 H new ATOM 0 HG2 ARG A 36 19.705 20.758 24.085 1.00 3.31 H new ATOM 0 HG3 ARG A 36 19.275 22.451 23.942 1.00 3.31 H new ATOM 0 HD2 ARG A 36 19.423 22.730 26.388 1.00 63.11 H new ATOM 0 HD3 ARG A 36 19.754 21.021 26.587 1.00 63.11 H new ATOM 0 HE ARG A 36 21.972 21.365 25.938 1.00 12.14 H new ATOM 0 HH11 ARG A 36 19.990 24.184 25.172 1.00 52.40 H new ATOM 0 HH12 ARG A 36 21.379 25.194 24.758 1.00 52.40 H new ATOM 0 HH21 ARG A 36 23.751 22.668 25.406 1.00 50.23 H new ATOM 0 HH22 ARG A 36 23.500 24.339 24.890 1.00 50.23 H new ATOM 583 N LYS A 37 16.467 24.139 23.374 1.00 5.32 N ATOM 584 CA LYS A 37 15.911 24.701 22.149 1.00 21.25 C ATOM 585 C LYS A 37 17.016 25.245 21.250 1.00 1.30 C ATOM 586 O LYS A 37 17.293 26.444 21.246 1.00 34.14 O ATOM 587 CB LYS A 37 14.913 25.814 22.481 1.00 75.24 C ATOM 588 CG LYS A 37 13.748 25.351 23.336 1.00 61.11 C ATOM 589 CD LYS A 37 12.973 26.528 23.906 1.00 22.14 C ATOM 590 CE LYS A 37 12.966 26.508 25.426 1.00 25.41 C ATOM 591 NZ LYS A 37 14.332 26.695 25.990 1.00 71.03 N ATOM 0 H LYS A 37 17.073 24.775 23.892 1.00 5.32 H new ATOM 0 HA LYS A 37 15.393 23.904 21.616 1.00 21.25 H new ATOM 0 HB2 LYS A 37 15.437 26.617 23.000 1.00 75.24 H new ATOM 0 HB3 LYS A 37 14.527 26.233 21.552 1.00 75.24 H new ATOM 0 HG2 LYS A 37 13.081 24.730 22.738 1.00 61.11 H new ATOM 0 HG3 LYS A 37 14.118 24.729 24.151 1.00 61.11 H new ATOM 0 HD2 LYS A 37 13.416 27.460 23.556 1.00 22.14 H new ATOM 0 HD3 LYS A 37 11.948 26.503 23.536 1.00 22.14 H new ATOM 0 HE2 LYS A 37 12.309 27.295 25.796 1.00 25.41 H new ATOM 0 HE3 LYS A 37 12.556 25.560 25.775 1.00 25.41 H new ATOM 0 HZ1 LYS A 37 14.262 26.912 27.005 1.00 71.03 H new ATOM 0 HZ2 LYS A 37 14.884 25.823 25.860 1.00 71.03 H new ATOM 0 HZ3 LYS A 37 14.805 27.481 25.500 1.00 71.03 H new ATOM 605 N GLY A 38 17.644 24.355 20.486 1.00 45.42 N ATOM 606 CA GLY A 38 18.710 24.766 19.593 1.00 33.43 C ATOM 607 C GLY A 38 19.178 23.640 18.692 1.00 34.54 C ATOM 608 O GLY A 38 19.308 22.498 19.132 1.00 0.14 O ATOM 0 H GLY A 38 17.433 23.357 20.470 1.00 45.42 H new ATOM 0 HA2 GLY A 38 18.365 25.599 18.980 1.00 33.43 H new ATOM 0 HA3 GLY A 38 19.552 25.131 20.181 1.00 33.43 H new ATOM 612 N ALA A 39 19.431 23.962 17.428 1.00 22.04 N ATOM 613 CA ALA A 39 19.887 22.968 16.464 1.00 14.23 C ATOM 614 C ALA A 39 21.373 22.677 16.636 1.00 53.12 C ATOM 615 O ALA A 39 21.813 21.538 16.494 1.00 24.42 O ATOM 616 CB ALA A 39 19.600 23.439 15.045 1.00 31.13 C ATOM 0 H ALA A 39 19.328 24.903 17.048 1.00 22.04 H new ATOM 0 HA ALA A 39 19.340 22.043 16.647 1.00 14.23 H new ATOM 0 HB1 ALA A 39 19.946 22.687 14.335 1.00 31.13 H new ATOM 0 HB2 ALA A 39 18.527 23.589 14.921 1.00 31.13 H new ATOM 0 HB3 ALA A 39 20.121 24.378 14.861 1.00 31.13 H new ATOM 622 N ASN A 40 22.143 23.717 16.943 1.00 3.21 N ATOM 623 CA ASN A 40 23.582 23.572 17.134 1.00 1.40 C ATOM 624 C ASN A 40 23.896 23.072 18.540 1.00 20.41 C ATOM 625 O ASN A 40 24.888 22.374 18.753 1.00 44.23 O ATOM 626 CB ASN A 40 24.286 24.907 16.885 1.00 70.44 C ATOM 627 CG ASN A 40 25.785 24.747 16.713 1.00 14.44 C ATOM 628 OD1 ASN A 40 26.345 23.689 17.000 1.00 5.42 O ATOM 629 ND2 ASN A 40 26.442 25.800 16.240 1.00 43.43 N ATOM 0 H ASN A 40 21.795 24.668 17.065 1.00 3.21 H new ATOM 0 HA ASN A 40 23.947 22.837 16.417 1.00 1.40 H new ATOM 0 HB2 ASN A 40 23.868 25.374 15.993 1.00 70.44 H new ATOM 0 HB3 ASN A 40 24.089 25.580 17.719 1.00 70.44 H new ATOM 0 HD21 ASN A 40 27.451 25.751 16.101 1.00 43.43 H new ATOM 0 HD22 ASN A 40 25.937 26.657 16.015 1.00 43.43 H new ATOM 636 N GLU A 41 23.045 23.433 19.495 1.00 51.22 N ATOM 637 CA GLU A 41 23.233 23.021 20.881 1.00 22.00 C ATOM 638 C GLU A 41 22.863 21.552 21.067 1.00 50.53 C ATOM 639 O GLU A 41 23.389 20.876 21.950 1.00 4.44 O ATOM 640 CB GLU A 41 22.391 23.893 21.815 1.00 23.12 C ATOM 641 CG GLU A 41 22.910 25.314 21.954 1.00 73.15 C ATOM 642 CD GLU A 41 22.326 26.253 20.917 1.00 73.33 C ATOM 643 OE1 GLU A 41 22.829 26.260 19.774 1.00 33.31 O ATOM 644 OE2 GLU A 41 21.367 26.981 21.247 1.00 70.51 O ATOM 0 H GLU A 41 22.219 24.010 19.334 1.00 51.22 H new ATOM 0 HA GLU A 41 24.287 23.147 21.131 1.00 22.00 H new ATOM 0 HB2 GLU A 41 21.367 23.924 21.444 1.00 23.12 H new ATOM 0 HB3 GLU A 41 22.359 23.429 22.801 1.00 23.12 H new ATOM 0 HG2 GLU A 41 22.674 25.687 22.950 1.00 73.15 H new ATOM 0 HG3 GLU A 41 23.996 25.310 21.864 1.00 73.15 H new ATOM 651 N ALA A 42 21.953 21.067 20.228 1.00 23.32 N ATOM 652 CA ALA A 42 21.513 19.680 20.298 1.00 23.54 C ATOM 653 C ALA A 42 22.694 18.722 20.182 1.00 60.13 C ATOM 654 O ALA A 42 22.635 17.585 20.650 1.00 24.03 O ATOM 655 CB ALA A 42 20.491 19.394 19.208 1.00 42.43 C ATOM 0 H ALA A 42 21.507 21.615 19.492 1.00 23.32 H new ATOM 0 HA ALA A 42 21.045 19.523 21.270 1.00 23.54 H new ATOM 0 HB1 ALA A 42 20.171 18.354 19.273 1.00 42.43 H new ATOM 0 HB2 ALA A 42 19.628 20.047 19.338 1.00 42.43 H new ATOM 0 HB3 ALA A 42 20.940 19.575 18.232 1.00 42.43 H new ATOM 661 N THR A 43 23.769 19.189 19.554 1.00 63.02 N ATOM 662 CA THR A 43 24.964 18.374 19.375 1.00 32.01 C ATOM 663 C THR A 43 25.782 18.308 20.659 1.00 62.43 C ATOM 664 O THR A 43 26.438 17.305 20.939 1.00 32.13 O ATOM 665 CB THR A 43 25.852 18.921 18.241 1.00 2.25 C ATOM 666 OG1 THR A 43 25.225 20.055 17.631 1.00 33.44 O ATOM 667 CG2 THR A 43 26.109 17.851 17.191 1.00 10.34 C ATOM 0 H THR A 43 23.836 20.128 19.161 1.00 63.02 H new ATOM 0 HA THR A 43 24.627 17.372 19.111 1.00 32.01 H new ATOM 0 HB THR A 43 26.807 19.222 18.671 1.00 2.25 H new ATOM 0 HG1 THR A 43 25.388 20.852 18.177 1.00 33.44 H new ATOM 0 HG21 THR A 43 26.738 18.261 16.401 1.00 10.34 H new ATOM 0 HG22 THR A 43 26.613 17.002 17.653 1.00 10.34 H new ATOM 0 HG23 THR A 43 25.160 17.523 16.766 1.00 10.34 H new ATOM 675 N LYS A 44 25.739 19.383 21.439 1.00 33.42 N ATOM 676 CA LYS A 44 26.474 19.447 22.696 1.00 62.22 C ATOM 677 C LYS A 44 26.113 18.272 23.598 1.00 31.40 C ATOM 678 O LYS A 44 26.991 17.594 24.135 1.00 32.34 O ATOM 679 CB LYS A 44 26.181 20.765 23.416 1.00 72.52 C ATOM 680 CG LYS A 44 27.411 21.632 23.622 1.00 61.12 C ATOM 681 CD LYS A 44 27.332 22.410 24.926 1.00 55.53 C ATOM 682 CE LYS A 44 28.704 22.574 25.560 1.00 75.01 C ATOM 683 NZ LYS A 44 28.622 22.668 27.044 1.00 13.34 N ATOM 0 H LYS A 44 25.202 20.223 21.222 1.00 33.42 H new ATOM 0 HA LYS A 44 27.539 19.394 22.468 1.00 62.22 H new ATOM 0 HB2 LYS A 44 25.443 21.326 22.843 1.00 72.52 H new ATOM 0 HB3 LYS A 44 25.733 20.548 24.386 1.00 72.52 H new ATOM 0 HG2 LYS A 44 28.303 21.005 23.624 1.00 61.12 H new ATOM 0 HG3 LYS A 44 27.512 22.327 22.788 1.00 61.12 H new ATOM 0 HD2 LYS A 44 26.896 23.392 24.740 1.00 55.53 H new ATOM 0 HD3 LYS A 44 26.669 21.893 25.620 1.00 55.53 H new ATOM 0 HE2 LYS A 44 29.335 21.729 25.284 1.00 75.01 H new ATOM 0 HE3 LYS A 44 29.182 23.471 25.165 1.00 75.01 H new ATOM 0 HZ1 LYS A 44 29.578 22.779 27.438 1.00 13.34 H new ATOM 0 HZ2 LYS A 44 28.041 23.489 27.308 1.00 13.34 H new ATOM 0 HZ3 LYS A 44 28.190 21.802 27.423 1.00 13.34 H new ATOM 697 N THR A 45 24.816 18.033 23.761 1.00 51.23 N ATOM 698 CA THR A 45 24.339 16.939 24.598 1.00 4.44 C ATOM 699 C THR A 45 25.006 15.623 24.215 1.00 23.24 C ATOM 700 O THR A 45 25.668 14.988 25.038 1.00 5.54 O ATOM 701 CB THR A 45 22.811 16.777 24.494 1.00 12.22 C ATOM 702 OG1 THR A 45 22.408 16.799 23.119 1.00 74.22 O ATOM 703 CG2 THR A 45 22.095 17.883 25.254 1.00 21.52 C ATOM 0 H THR A 45 24.076 18.583 23.324 1.00 51.23 H new ATOM 0 HA THR A 45 24.601 17.190 25.626 1.00 4.44 H new ATOM 0 HB THR A 45 22.540 15.819 24.937 1.00 12.22 H new ATOM 0 HG1 THR A 45 22.715 17.631 22.701 1.00 74.22 H new ATOM 0 HG21 THR A 45 21.017 17.747 25.165 1.00 21.52 H new ATOM 0 HG22 THR A 45 22.380 17.846 26.305 1.00 21.52 H new ATOM 0 HG23 THR A 45 22.374 18.851 24.837 1.00 21.52 H new ATOM 711 N LEU A 46 24.829 15.218 22.963 1.00 44.10 N ATOM 712 CA LEU A 46 25.415 13.976 22.470 1.00 43.13 C ATOM 713 C LEU A 46 26.938 14.027 22.541 1.00 64.13 C ATOM 714 O LEU A 46 27.595 13.003 22.721 1.00 72.33 O ATOM 715 CB LEU A 46 24.969 13.713 21.031 1.00 43.40 C ATOM 716 CG LEU A 46 24.586 12.271 20.699 1.00 41.03 C ATOM 717 CD1 LEU A 46 24.282 12.127 19.216 1.00 62.42 C ATOM 718 CD2 LEU A 46 25.696 11.316 21.114 1.00 54.42 C ATOM 0 H LEU A 46 24.284 15.731 22.270 1.00 44.10 H new ATOM 0 HA LEU A 46 25.067 13.162 23.106 1.00 43.13 H new ATOM 0 HB2 LEU A 46 24.114 14.354 20.814 1.00 43.40 H new ATOM 0 HB3 LEU A 46 25.773 14.017 20.361 1.00 43.40 H new ATOM 0 HG LEU A 46 23.686 12.016 21.259 1.00 41.03 H new ATOM 0 HD11 LEU A 46 24.011 11.094 18.999 1.00 62.42 H new ATOM 0 HD12 LEU A 46 23.453 12.783 18.949 1.00 62.42 H new ATOM 0 HD13 LEU A 46 25.163 12.401 18.636 1.00 62.42 H new ATOM 0 HD21 LEU A 46 25.407 10.294 20.870 1.00 54.42 H new ATOM 0 HD22 LEU A 46 26.613 11.570 20.582 1.00 54.42 H new ATOM 0 HD23 LEU A 46 25.865 11.399 22.188 1.00 54.42 H new ATOM 730 N ASN A 47 27.492 15.227 22.401 1.00 30.12 N ATOM 731 CA ASN A 47 28.938 15.412 22.451 1.00 62.10 C ATOM 732 C ASN A 47 29.507 14.896 23.769 1.00 73.04 C ATOM 733 O ASN A 47 30.581 14.294 23.800 1.00 51.34 O ATOM 734 CB ASN A 47 29.291 16.890 22.273 1.00 4.23 C ATOM 735 CG ASN A 47 30.748 17.098 21.910 1.00 22.12 C ATOM 736 OD1 ASN A 47 31.509 16.139 21.777 1.00 44.21 O ATOM 737 ND2 ASN A 47 31.144 18.355 21.747 1.00 25.02 N ATOM 0 H ASN A 47 26.962 16.086 22.252 1.00 30.12 H new ATOM 0 HA ASN A 47 29.381 14.840 21.636 1.00 62.10 H new ATOM 0 HB2 ASN A 47 28.661 17.320 21.494 1.00 4.23 H new ATOM 0 HB3 ASN A 47 29.069 17.427 23.195 1.00 4.23 H new ATOM 0 HD21 ASN A 47 32.113 18.557 21.502 1.00 25.02 H new ATOM 0 HD22 ASN A 47 30.479 19.119 21.867 1.00 25.02 H new ATOM 744 N ARG A 48 28.780 15.136 24.856 1.00 14.23 N ATOM 745 CA ARG A 48 29.212 14.697 26.177 1.00 12.12 C ATOM 746 C ARG A 48 28.788 13.254 26.436 1.00 11.42 C ATOM 747 O ARG A 48 29.397 12.552 27.240 1.00 73.44 O ATOM 748 CB ARG A 48 28.633 15.612 27.256 1.00 64.30 C ATOM 749 CG ARG A 48 29.540 16.777 27.619 1.00 3.33 C ATOM 750 CD ARG A 48 30.734 16.319 28.442 1.00 2.13 C ATOM 751 NE ARG A 48 30.803 16.997 29.733 1.00 4.54 N ATOM 752 CZ ARG A 48 31.664 16.673 30.690 1.00 54.30 C ATOM 753 NH1 ARG A 48 32.528 15.685 30.501 1.00 33.53 N ATOM 754 NH2 ARG A 48 31.665 17.338 31.837 1.00 64.34 N ATOM 0 H ARG A 48 27.889 15.632 24.847 1.00 14.23 H new ATOM 0 HA ARG A 48 30.300 14.749 26.212 1.00 12.12 H new ATOM 0 HB2 ARG A 48 27.675 16.002 26.913 1.00 64.30 H new ATOM 0 HB3 ARG A 48 28.436 15.023 28.152 1.00 64.30 H new ATOM 0 HG2 ARG A 48 29.890 17.264 26.709 1.00 3.33 H new ATOM 0 HG3 ARG A 48 28.973 17.519 28.181 1.00 3.33 H new ATOM 0 HD2 ARG A 48 30.673 15.242 28.601 1.00 2.13 H new ATOM 0 HD3 ARG A 48 31.652 16.507 27.885 1.00 2.13 H new ATOM 0 HE ARG A 48 30.153 17.763 29.910 1.00 4.54 H new ATOM 0 HH11 ARG A 48 32.532 15.173 29.619 1.00 33.53 H new ATOM 0 HH12 ARG A 48 33.189 15.438 31.238 1.00 33.53 H new ATOM 0 HH21 ARG A 48 31.003 18.100 31.985 1.00 64.34 H new ATOM 0 HH22 ARG A 48 32.327 17.088 32.571 1.00 64.34 H new ATOM 768 N GLY A 49 27.737 12.819 25.746 1.00 62.44 N ATOM 769 CA GLY A 49 27.248 11.463 25.917 1.00 72.22 C ATOM 770 C GLY A 49 26.065 11.388 26.861 1.00 30.13 C ATOM 771 O GLY A 49 26.004 10.508 27.721 1.00 53.21 O ATOM 0 H GLY A 49 27.216 13.381 25.073 1.00 62.44 H new ATOM 0 HA2 GLY A 49 26.961 11.059 24.946 1.00 72.22 H new ATOM 0 HA3 GLY A 49 28.053 10.835 26.298 1.00 72.22 H new ATOM 775 N ILE A 50 25.124 12.311 26.703 1.00 53.53 N ATOM 776 CA ILE A 50 23.936 12.346 27.548 1.00 74.33 C ATOM 777 C ILE A 50 22.702 12.745 26.747 1.00 31.24 C ATOM 778 O ILE A 50 21.694 13.168 27.312 1.00 22.34 O ATOM 779 CB ILE A 50 24.112 13.326 28.724 1.00 42.20 C ATOM 780 CG1 ILE A 50 24.432 14.728 28.203 1.00 40.14 C ATOM 781 CG2 ILE A 50 25.206 12.839 29.661 1.00 75.30 C ATOM 782 CD1 ILE A 50 23.203 15.562 27.915 1.00 0.12 C ATOM 0 H ILE A 50 25.160 13.046 25.997 1.00 53.53 H new ATOM 0 HA ILE A 50 23.798 11.339 27.942 1.00 74.33 H new ATOM 0 HB ILE A 50 23.178 13.371 29.283 1.00 42.20 H new ATOM 0 HG12 ILE A 50 25.049 15.247 28.936 1.00 40.14 H new ATOM 0 HG13 ILE A 50 25.024 14.642 27.292 1.00 40.14 H new ATOM 0 HG21 ILE A 50 25.318 13.542 30.486 1.00 75.30 H new ATOM 0 HG22 ILE A 50 24.939 11.858 30.054 1.00 75.30 H new ATOM 0 HG23 ILE A 50 26.147 12.767 29.115 1.00 75.30 H new ATOM 0 HD11 ILE A 50 23.506 16.543 27.549 1.00 0.12 H new ATOM 0 HD12 ILE A 50 22.595 15.065 27.159 1.00 0.12 H new ATOM 0 HD13 ILE A 50 22.621 15.680 28.829 1.00 0.12 H new ATOM 794 N SER A 51 22.789 12.607 25.428 1.00 22.31 N ATOM 795 CA SER A 51 21.679 12.954 24.548 1.00 65.44 C ATOM 796 C SER A 51 20.761 11.756 24.332 1.00 21.25 C ATOM 797 O SER A 51 21.125 10.797 23.653 1.00 73.30 O ATOM 798 CB SER A 51 22.206 13.457 23.203 1.00 1.12 C ATOM 799 OG SER A 51 21.236 13.294 22.182 1.00 74.43 O ATOM 0 H SER A 51 23.617 12.257 24.945 1.00 22.31 H new ATOM 0 HA SER A 51 21.104 13.748 25.025 1.00 65.44 H new ATOM 0 HB2 SER A 51 22.478 14.509 23.286 1.00 1.12 H new ATOM 0 HB3 SER A 51 23.113 12.913 22.938 1.00 1.12 H new ATOM 0 HG SER A 51 21.596 13.624 21.333 1.00 74.43 H new ATOM 805 N GLU A 52 19.568 11.818 24.916 1.00 52.35 N ATOM 806 CA GLU A 52 18.598 10.738 24.788 1.00 61.13 C ATOM 807 C GLU A 52 17.914 10.780 23.425 1.00 32.25 C ATOM 808 O GLU A 52 17.760 9.753 22.764 1.00 32.24 O ATOM 809 CB GLU A 52 17.550 10.830 25.899 1.00 61.13 C ATOM 810 CG GLU A 52 18.084 10.456 27.272 1.00 1.01 C ATOM 811 CD GLU A 52 18.067 8.959 27.517 1.00 51.40 C ATOM 812 OE1 GLU A 52 17.413 8.238 26.734 1.00 74.03 O ATOM 813 OE2 GLU A 52 18.707 8.510 28.490 1.00 60.42 O ATOM 0 H GLU A 52 19.251 12.605 25.482 1.00 52.35 H new ATOM 0 HA GLU A 52 19.132 9.792 24.879 1.00 61.13 H new ATOM 0 HB2 GLU A 52 17.159 11.847 25.935 1.00 61.13 H new ATOM 0 HB3 GLU A 52 16.714 10.176 25.653 1.00 61.13 H new ATOM 0 HG2 GLU A 52 19.104 10.825 27.374 1.00 1.01 H new ATOM 0 HG3 GLU A 52 17.487 10.952 28.037 1.00 1.01 H new ATOM 820 N PHE A 53 17.505 11.974 23.010 1.00 22.41 N ATOM 821 CA PHE A 53 16.836 12.150 21.727 1.00 41.20 C ATOM 822 C PHE A 53 16.601 13.629 21.435 1.00 12.31 C ATOM 823 O PHE A 53 16.638 14.465 22.339 1.00 72.23 O ATOM 824 CB PHE A 53 15.503 11.399 21.715 1.00 22.23 C ATOM 825 CG PHE A 53 14.435 12.059 22.538 1.00 4.10 C ATOM 826 CD1 PHE A 53 14.489 12.027 23.922 1.00 51.43 C ATOM 827 CD2 PHE A 53 13.376 12.712 21.929 1.00 15.41 C ATOM 828 CE1 PHE A 53 13.507 12.634 24.682 1.00 24.31 C ATOM 829 CE2 PHE A 53 12.391 13.321 22.683 1.00 10.35 C ATOM 830 CZ PHE A 53 12.456 13.282 24.062 1.00 75.42 C ATOM 0 H PHE A 53 17.625 12.835 23.544 1.00 22.41 H new ATOM 0 HA PHE A 53 17.482 11.742 20.950 1.00 41.20 H new ATOM 0 HB2 PHE A 53 15.155 11.310 20.686 1.00 22.23 H new ATOM 0 HB3 PHE A 53 15.662 10.387 22.086 1.00 22.23 H new ATOM 0 HD1 PHE A 53 15.308 11.522 24.413 1.00 51.43 H new ATOM 0 HD2 PHE A 53 13.319 12.746 20.851 1.00 15.41 H new ATOM 0 HE1 PHE A 53 13.561 12.602 25.760 1.00 24.31 H new ATOM 0 HE2 PHE A 53 11.571 13.827 22.194 1.00 10.35 H new ATOM 0 HZ PHE A 53 11.687 13.757 24.654 1.00 75.42 H new ATOM 840 N ILE A 54 16.358 13.945 20.167 1.00 61.32 N ATOM 841 CA ILE A 54 16.116 15.322 19.756 1.00 75.33 C ATOM 842 C ILE A 54 15.015 15.396 18.704 1.00 2.35 C ATOM 843 O ILE A 54 15.065 14.704 17.687 1.00 63.01 O ATOM 844 CB ILE A 54 17.393 15.974 19.193 1.00 10.32 C ATOM 845 CG1 ILE A 54 18.569 15.749 20.145 1.00 61.21 C ATOM 846 CG2 ILE A 54 17.170 17.461 18.959 1.00 24.31 C ATOM 847 CD1 ILE A 54 19.884 16.279 19.617 1.00 43.13 C ATOM 0 H ILE A 54 16.324 13.266 19.407 1.00 61.32 H new ATOM 0 HA ILE A 54 15.802 15.867 20.646 1.00 75.33 H new ATOM 0 HB ILE A 54 17.630 15.508 18.237 1.00 10.32 H new ATOM 0 HG12 ILE A 54 18.350 16.228 21.099 1.00 61.21 H new ATOM 0 HG13 ILE A 54 18.669 14.681 20.340 1.00 61.21 H new ATOM 0 HG21 ILE A 54 18.081 17.907 18.561 1.00 24.31 H new ATOM 0 HG22 ILE A 54 16.357 17.599 18.246 1.00 24.31 H new ATOM 0 HG23 ILE A 54 16.912 17.943 19.902 1.00 24.31 H new ATOM 0 HD11 ILE A 54 20.673 16.085 20.344 1.00 43.13 H new ATOM 0 HD12 ILE A 54 20.126 15.782 18.678 1.00 43.13 H new ATOM 0 HD13 ILE A 54 19.802 17.353 19.449 1.00 43.13 H new ATOM 859 N VAL A 55 14.020 16.242 18.955 1.00 40.43 N ATOM 860 CA VAL A 55 12.907 16.410 18.028 1.00 71.45 C ATOM 861 C VAL A 55 13.113 17.630 17.137 1.00 31.25 C ATOM 862 O VAL A 55 13.447 18.712 17.617 1.00 31.30 O ATOM 863 CB VAL A 55 11.570 16.555 18.778 1.00 52.13 C ATOM 864 CG1 VAL A 55 10.404 16.538 17.801 1.00 71.51 C ATOM 865 CG2 VAL A 55 11.420 15.455 19.818 1.00 40.03 C ATOM 0 H VAL A 55 13.962 16.821 19.793 1.00 40.43 H new ATOM 0 HA VAL A 55 12.872 15.514 17.409 1.00 71.45 H new ATOM 0 HB VAL A 55 11.566 17.515 19.294 1.00 52.13 H new ATOM 0 HG11 VAL A 55 9.468 16.642 18.350 1.00 71.51 H new ATOM 0 HG12 VAL A 55 10.506 17.365 17.098 1.00 71.51 H new ATOM 0 HG13 VAL A 55 10.401 15.595 17.254 1.00 71.51 H new ATOM 0 HG21 VAL A 55 10.469 15.573 20.338 1.00 40.03 H new ATOM 0 HG22 VAL A 55 11.446 14.483 19.326 1.00 40.03 H new ATOM 0 HG23 VAL A 55 12.237 15.520 20.536 1.00 40.03 H new ATOM 875 N MET A 56 12.910 17.445 15.836 1.00 42.34 N ATOM 876 CA MET A 56 13.072 18.533 14.878 1.00 14.22 C ATOM 877 C MET A 56 11.797 18.733 14.063 1.00 71.44 C ATOM 878 O MET A 56 10.942 17.850 14.004 1.00 44.32 O ATOM 879 CB MET A 56 14.247 18.246 13.942 1.00 74.32 C ATOM 880 CG MET A 56 14.117 16.933 13.187 1.00 54.10 C ATOM 881 SD MET A 56 14.952 15.568 14.017 1.00 20.30 S ATOM 882 CE MET A 56 16.588 15.682 13.297 1.00 42.40 C ATOM 0 H MET A 56 12.634 16.555 15.422 1.00 42.34 H new ATOM 0 HA MET A 56 13.275 19.447 15.435 1.00 14.22 H new ATOM 0 HB2 MET A 56 14.336 19.061 13.224 1.00 74.32 H new ATOM 0 HB3 MET A 56 15.169 18.231 14.524 1.00 74.32 H new ATOM 0 HG2 MET A 56 13.061 16.690 13.069 1.00 54.10 H new ATOM 0 HG3 MET A 56 14.531 17.052 12.186 1.00 54.10 H new ATOM 0 HE1 MET A 56 17.333 15.393 14.038 1.00 42.40 H new ATOM 0 HE2 MET A 56 16.654 15.016 12.437 1.00 42.40 H new ATOM 0 HE3 MET A 56 16.774 16.707 12.977 1.00 42.40 H new ATOM 892 N ALA A 57 11.677 19.900 13.438 1.00 62.54 N ATOM 893 CA ALA A 57 10.509 20.216 12.627 1.00 24.13 C ATOM 894 C ALA A 57 10.744 19.857 11.163 1.00 44.53 C ATOM 895 O ALA A 57 11.602 20.441 10.502 1.00 23.11 O ATOM 896 CB ALA A 57 10.154 21.689 12.762 1.00 1.33 C ATOM 0 H ALA A 57 12.375 20.642 13.478 1.00 62.54 H new ATOM 0 HA ALA A 57 9.673 19.619 12.991 1.00 24.13 H new ATOM 0 HB1 ALA A 57 9.279 21.910 12.150 1.00 1.33 H new ATOM 0 HB2 ALA A 57 9.934 21.916 13.805 1.00 1.33 H new ATOM 0 HB3 ALA A 57 10.994 22.298 12.427 1.00 1.33 H new ATOM 902 N ALA A 58 9.976 18.895 10.663 1.00 3.31 N ATOM 903 CA ALA A 58 10.100 18.462 9.277 1.00 30.14 C ATOM 904 C ALA A 58 9.757 19.593 8.315 1.00 54.55 C ATOM 905 O ALA A 58 10.233 19.622 7.180 1.00 72.33 O ATOM 906 CB ALA A 58 9.206 17.258 9.019 1.00 1.53 C ATOM 0 H ALA A 58 9.261 18.401 11.197 1.00 3.31 H new ATOM 0 HA ALA A 58 11.137 18.175 9.103 1.00 30.14 H new ATOM 0 HB1 ALA A 58 9.308 16.945 7.980 1.00 1.53 H new ATOM 0 HB2 ALA A 58 9.500 16.439 9.675 1.00 1.53 H new ATOM 0 HB3 ALA A 58 8.168 17.526 9.217 1.00 1.53 H new ATOM 912 N ASP A 59 8.928 20.524 8.775 1.00 22.11 N ATOM 913 CA ASP A 59 8.522 21.659 7.954 1.00 63.22 C ATOM 914 C ASP A 59 9.389 22.879 8.247 1.00 50.05 C ATOM 915 O ASP A 59 8.939 24.018 8.119 1.00 73.23 O ATOM 916 CB ASP A 59 7.050 21.994 8.201 1.00 35.04 C ATOM 917 CG ASP A 59 6.313 22.340 6.922 1.00 15.22 C ATOM 918 OD1 ASP A 59 6.482 23.475 6.429 1.00 51.11 O ATOM 919 OD2 ASP A 59 5.568 21.476 6.415 1.00 15.54 O ATOM 0 H ASP A 59 8.524 20.515 9.712 1.00 22.11 H new ATOM 0 HA ASP A 59 8.654 21.384 6.907 1.00 63.22 H new ATOM 0 HB2 ASP A 59 6.562 21.145 8.680 1.00 35.04 H new ATOM 0 HB3 ASP A 59 6.982 22.833 8.894 1.00 35.04 H new ATOM 924 N ALA A 60 10.634 22.634 8.644 1.00 2.12 N ATOM 925 CA ALA A 60 11.563 23.712 8.954 1.00 73.44 C ATOM 926 C ALA A 60 12.739 23.720 7.983 1.00 42.32 C ATOM 927 O ALA A 60 13.114 22.682 7.440 1.00 21.11 O ATOM 928 CB ALA A 60 12.060 23.584 10.387 1.00 51.10 C ATOM 0 H ALA A 60 11.022 21.697 8.758 1.00 2.12 H new ATOM 0 HA ALA A 60 11.032 24.658 8.848 1.00 73.44 H new ATOM 0 HB1 ALA A 60 12.754 24.396 10.605 1.00 51.10 H new ATOM 0 HB2 ALA A 60 11.213 23.636 11.072 1.00 51.10 H new ATOM 0 HB3 ALA A 60 12.569 22.628 10.511 1.00 51.10 H new ATOM 934 N GLU A 61 13.316 24.898 7.770 1.00 14.23 N ATOM 935 CA GLU A 61 14.449 25.040 6.862 1.00 32.25 C ATOM 936 C GLU A 61 15.434 26.084 7.380 1.00 60.41 C ATOM 937 O GLU A 61 15.104 26.924 8.217 1.00 25.31 O ATOM 938 CB GLU A 61 13.965 25.430 5.464 1.00 32.22 C ATOM 939 CG GLU A 61 13.754 24.242 4.540 1.00 22.02 C ATOM 940 CD GLU A 61 12.475 24.350 3.733 1.00 43.12 C ATOM 941 OE1 GLU A 61 11.391 24.105 4.305 1.00 13.34 O ATOM 942 OE2 GLU A 61 12.556 24.679 2.531 1.00 71.44 O ATOM 0 H GLU A 61 13.018 25.767 8.213 1.00 14.23 H new ATOM 0 HA GLU A 61 14.960 24.079 6.807 1.00 32.25 H new ATOM 0 HB2 GLU A 61 13.029 25.981 5.553 1.00 32.22 H new ATOM 0 HB3 GLU A 61 14.691 26.106 5.013 1.00 32.22 H new ATOM 0 HG2 GLU A 61 14.602 24.160 3.860 1.00 22.02 H new ATOM 0 HG3 GLU A 61 13.730 23.327 5.131 1.00 22.02 H new ATOM 949 N PRO A 62 16.674 26.031 6.871 1.00 3.21 N ATOM 950 CA PRO A 62 17.078 25.035 5.874 1.00 43.13 C ATOM 951 C PRO A 62 17.152 23.628 6.456 1.00 22.33 C ATOM 952 O PRO A 62 16.975 23.433 7.660 1.00 70.35 O ATOM 953 CB PRO A 62 18.469 25.509 5.443 1.00 25.21 C ATOM 954 CG PRO A 62 18.980 26.288 6.606 1.00 53.30 C ATOM 955 CD PRO A 62 17.776 26.938 7.230 1.00 63.15 C ATOM 0 HA PRO A 62 16.363 24.966 5.055 1.00 43.13 H new ATOM 0 HB2 PRO A 62 19.121 24.666 5.214 1.00 25.21 H new ATOM 0 HB3 PRO A 62 18.417 26.125 4.546 1.00 25.21 H new ATOM 0 HG2 PRO A 62 19.486 25.638 7.319 1.00 53.30 H new ATOM 0 HG3 PRO A 62 19.706 27.036 6.286 1.00 53.30 H new ATOM 0 HD2 PRO A 62 17.884 27.031 8.311 1.00 63.15 H new ATOM 0 HD3 PRO A 62 17.614 27.942 6.839 1.00 63.15 H new ATOM 963 N LEU A 63 17.413 22.650 5.596 1.00 40.11 N ATOM 964 CA LEU A 63 17.510 21.259 6.026 1.00 64.23 C ATOM 965 C LEU A 63 18.916 20.940 6.524 1.00 14.11 C ATOM 966 O LEU A 63 19.121 19.973 7.256 1.00 22.23 O ATOM 967 CB LEU A 63 17.139 20.322 4.875 1.00 64.24 C ATOM 968 CG LEU A 63 15.657 19.968 4.750 1.00 3.55 C ATOM 969 CD1 LEU A 63 15.415 19.109 3.519 1.00 33.21 C ATOM 970 CD2 LEU A 63 15.170 19.256 6.004 1.00 35.22 C ATOM 0 H LEU A 63 17.561 22.794 4.597 1.00 40.11 H new ATOM 0 HA LEU A 63 16.811 21.109 6.848 1.00 64.23 H new ATOM 0 HB2 LEU A 63 17.463 20.781 3.941 1.00 64.24 H new ATOM 0 HB3 LEU A 63 17.705 19.397 4.989 1.00 64.24 H new ATOM 0 HG LEU A 63 15.091 20.893 4.639 1.00 3.55 H new ATOM 0 HD11 LEU A 63 14.355 18.867 3.447 1.00 33.21 H new ATOM 0 HD12 LEU A 63 15.724 19.655 2.628 1.00 33.21 H new ATOM 0 HD13 LEU A 63 15.993 18.188 3.599 1.00 33.21 H new ATOM 0 HD21 LEU A 63 14.113 19.012 5.897 1.00 35.22 H new ATOM 0 HD22 LEU A 63 15.741 18.339 6.147 1.00 35.22 H new ATOM 0 HD23 LEU A 63 15.306 19.907 6.868 1.00 35.22 H new ATOM 982 N GLU A 64 19.881 21.762 6.121 1.00 21.34 N ATOM 983 CA GLU A 64 21.268 21.567 6.528 1.00 34.12 C ATOM 984 C GLU A 64 21.377 21.430 8.043 1.00 3.12 C ATOM 985 O GLU A 64 22.093 20.565 8.549 1.00 70.13 O ATOM 986 CB GLU A 64 22.132 22.734 6.046 1.00 70.24 C ATOM 987 CG GLU A 64 22.877 22.447 4.753 1.00 0.21 C ATOM 988 CD GLU A 64 23.909 23.509 4.427 1.00 12.22 C ATOM 989 OE1 GLU A 64 23.734 24.664 4.868 1.00 22.24 O ATOM 990 OE2 GLU A 64 24.893 23.184 3.729 1.00 62.50 O ATOM 0 H GLU A 64 19.728 22.568 5.514 1.00 21.34 H new ATOM 0 HA GLU A 64 21.628 20.645 6.072 1.00 34.12 H new ATOM 0 HB2 GLU A 64 21.498 23.609 5.904 1.00 70.24 H new ATOM 0 HB3 GLU A 64 22.854 22.986 6.823 1.00 70.24 H new ATOM 0 HG2 GLU A 64 23.370 21.478 4.829 1.00 0.21 H new ATOM 0 HG3 GLU A 64 22.162 22.377 3.934 1.00 0.21 H new ATOM 997 N ILE A 65 20.661 22.289 8.762 1.00 15.20 N ATOM 998 CA ILE A 65 20.677 22.264 10.219 1.00 62.41 C ATOM 999 C ILE A 65 20.096 20.959 10.752 1.00 63.13 C ATOM 1000 O ILE A 65 20.456 20.506 11.839 1.00 63.52 O ATOM 1001 CB ILE A 65 19.886 23.445 10.810 1.00 42.25 C ATOM 1002 CG1 ILE A 65 18.383 23.221 10.631 1.00 63.43 C ATOM 1003 CG2 ILE A 65 20.314 24.750 10.156 1.00 71.31 C ATOM 1004 CD1 ILE A 65 17.537 24.376 11.122 1.00 72.51 C ATOM 0 H ILE A 65 20.063 23.010 8.359 1.00 15.20 H new ATOM 0 HA ILE A 65 21.720 22.346 10.526 1.00 62.41 H new ATOM 0 HB ILE A 65 20.100 23.509 11.877 1.00 42.25 H new ATOM 0 HG12 ILE A 65 18.173 23.050 9.575 1.00 63.43 H new ATOM 0 HG13 ILE A 65 18.093 22.316 11.165 1.00 63.43 H new ATOM 0 HG21 ILE A 65 19.746 25.575 10.585 1.00 71.31 H new ATOM 0 HG22 ILE A 65 21.378 24.913 10.330 1.00 71.31 H new ATOM 0 HG23 ILE A 65 20.126 24.698 9.084 1.00 71.31 H new ATOM 0 HD11 ILE A 65 16.483 24.148 10.964 1.00 72.51 H new ATOM 0 HD12 ILE A 65 17.718 24.534 12.185 1.00 72.51 H new ATOM 0 HD13 ILE A 65 17.800 25.279 10.571 1.00 72.51 H new ATOM 1016 N ILE A 66 19.197 20.359 9.980 1.00 23.15 N ATOM 1017 CA ILE A 66 18.567 19.104 10.374 1.00 73.01 C ATOM 1018 C ILE A 66 19.464 17.915 10.049 1.00 25.12 C ATOM 1019 O ILE A 66 19.629 17.007 10.865 1.00 22.15 O ATOM 1020 CB ILE A 66 17.207 18.914 9.678 1.00 73.22 C ATOM 1021 CG1 ILE A 66 16.380 20.198 9.766 1.00 22.12 C ATOM 1022 CG2 ILE A 66 16.453 17.747 10.299 1.00 11.13 C ATOM 1023 CD1 ILE A 66 16.002 20.578 11.180 1.00 60.51 C ATOM 0 H ILE A 66 18.888 20.721 9.078 1.00 23.15 H new ATOM 0 HA ILE A 66 18.409 19.153 11.451 1.00 73.01 H new ATOM 0 HB ILE A 66 17.382 18.689 8.626 1.00 73.22 H new ATOM 0 HG12 ILE A 66 16.944 21.015 9.317 1.00 22.12 H new ATOM 0 HG13 ILE A 66 15.472 20.077 9.176 1.00 22.12 H new ATOM 0 HG21 ILE A 66 15.493 17.625 9.796 1.00 11.13 H new ATOM 0 HG22 ILE A 66 17.039 16.835 10.188 1.00 11.13 H new ATOM 0 HG23 ILE A 66 16.286 17.944 11.358 1.00 11.13 H new ATOM 0 HD11 ILE A 66 15.417 21.498 11.166 1.00 60.51 H new ATOM 0 HD12 ILE A 66 15.410 19.779 11.626 1.00 60.51 H new ATOM 0 HD13 ILE A 66 16.906 20.732 11.769 1.00 60.51 H new ATOM 1035 N LEU A 67 20.041 17.926 8.853 1.00 72.22 N ATOM 1036 CA LEU A 67 20.925 16.848 8.420 1.00 3.32 C ATOM 1037 C LEU A 67 22.299 16.975 9.069 1.00 21.24 C ATOM 1038 O LEU A 67 23.119 16.060 8.994 1.00 74.32 O ATOM 1039 CB LEU A 67 21.064 16.858 6.896 1.00 24.01 C ATOM 1040 CG LEU A 67 20.987 15.496 6.206 1.00 5.22 C ATOM 1041 CD1 LEU A 67 19.564 15.210 5.749 1.00 23.30 C ATOM 1042 CD2 LEU A 67 21.948 15.439 5.029 1.00 11.34 C ATOM 0 H LEU A 67 19.913 18.669 8.165 1.00 72.22 H new ATOM 0 HA LEU A 67 20.484 15.902 8.733 1.00 3.32 H new ATOM 0 HB2 LEU A 67 20.282 17.496 6.484 1.00 24.01 H new ATOM 0 HB3 LEU A 67 22.019 17.318 6.641 1.00 24.01 H new ATOM 0 HG LEU A 67 21.278 14.729 6.924 1.00 5.22 H new ATOM 0 HD11 LEU A 67 19.528 14.237 5.260 1.00 23.30 H new ATOM 0 HD12 LEU A 67 18.898 15.208 6.612 1.00 23.30 H new ATOM 0 HD13 LEU A 67 19.245 15.981 5.047 1.00 23.30 H new ATOM 0 HD21 LEU A 67 21.879 14.462 4.550 1.00 11.34 H new ATOM 0 HD22 LEU A 67 21.688 16.215 4.309 1.00 11.34 H new ATOM 0 HD23 LEU A 67 22.967 15.599 5.383 1.00 11.34 H new ATOM 1054 N HIS A 68 22.543 18.114 9.709 1.00 5.32 N ATOM 1055 CA HIS A 68 23.817 18.360 10.375 1.00 11.42 C ATOM 1056 C HIS A 68 23.892 17.608 11.700 1.00 4.44 C ATOM 1057 O HIS A 68 24.978 17.327 12.206 1.00 32.24 O ATOM 1058 CB HIS A 68 24.011 19.858 10.613 1.00 65.12 C ATOM 1059 CG HIS A 68 24.823 20.533 9.550 1.00 64.51 C ATOM 1060 ND1 HIS A 68 24.578 21.820 9.120 1.00 44.20 N ATOM 1061 CD2 HIS A 68 25.882 20.093 8.833 1.00 73.25 C ATOM 1062 CE1 HIS A 68 25.450 22.141 8.182 1.00 62.14 C ATOM 1063 NE2 HIS A 68 26.253 21.111 7.989 1.00 72.23 N ATOM 0 H HIS A 68 21.875 18.881 9.781 1.00 5.32 H new ATOM 0 HA HIS A 68 24.614 17.997 9.726 1.00 11.42 H new ATOM 0 HB2 HIS A 68 23.034 20.338 10.672 1.00 65.12 H new ATOM 0 HB3 HIS A 68 24.497 20.004 11.578 1.00 65.12 H new ATOM 0 HD2 HIS A 68 26.349 19.122 8.910 1.00 73.25 H new ATOM 0 HE1 HIS A 68 25.498 23.086 7.661 1.00 62.14 H new ATOM 0 HE2 HIS A 68 27.024 21.077 7.322 1.00 72.23 H new ATOM 1071 N LEU A 69 22.729 17.285 12.257 1.00 73.43 N ATOM 1072 CA LEU A 69 22.663 16.565 13.525 1.00 51.44 C ATOM 1073 C LEU A 69 23.540 15.319 13.490 1.00 0.25 C ATOM 1074 O LEU A 69 24.470 15.161 14.282 1.00 4.40 O ATOM 1075 CB LEU A 69 21.216 16.178 13.837 1.00 65.42 C ATOM 1076 CG LEU A 69 20.474 17.087 14.818 1.00 11.33 C ATOM 1077 CD1 LEU A 69 19.251 17.701 14.154 1.00 32.42 C ATOM 1078 CD2 LEU A 69 20.075 16.314 16.066 1.00 53.51 C ATOM 0 H LEU A 69 21.821 17.510 11.851 1.00 73.43 H new ATOM 0 HA LEU A 69 23.034 17.224 14.310 1.00 51.44 H new ATOM 0 HB2 LEU A 69 20.658 16.154 12.901 1.00 65.42 H new ATOM 0 HB3 LEU A 69 21.210 15.164 14.237 1.00 65.42 H new ATOM 0 HG LEU A 69 21.145 17.893 15.115 1.00 11.33 H new ATOM 0 HD11 LEU A 69 18.735 18.345 14.866 1.00 32.42 H new ATOM 0 HD12 LEU A 69 19.563 18.290 13.292 1.00 32.42 H new ATOM 0 HD13 LEU A 69 18.578 16.908 13.828 1.00 32.42 H new ATOM 0 HD21 LEU A 69 19.548 16.977 16.752 1.00 53.51 H new ATOM 0 HD22 LEU A 69 19.422 15.487 15.788 1.00 53.51 H new ATOM 0 HD23 LEU A 69 20.968 15.923 16.553 1.00 53.51 H new ATOM 1090 N PRO A 70 23.242 14.410 12.549 1.00 42.44 N ATOM 1091 CA PRO A 70 23.993 13.163 12.387 1.00 33.14 C ATOM 1092 C PRO A 70 25.401 13.400 11.850 1.00 22.51 C ATOM 1093 O PRO A 70 25.846 14.542 11.729 1.00 21.24 O ATOM 1094 CB PRO A 70 23.160 12.377 11.371 1.00 4.10 C ATOM 1095 CG PRO A 70 22.421 13.416 10.602 1.00 45.43 C ATOM 1096 CD PRO A 70 22.147 14.533 11.571 1.00 54.10 C ATOM 0 HA PRO A 70 24.133 12.646 13.336 1.00 33.14 H new ATOM 0 HB2 PRO A 70 23.794 11.778 10.718 1.00 4.10 H new ATOM 0 HB3 PRO A 70 22.475 11.690 11.868 1.00 4.10 H new ATOM 0 HG2 PRO A 70 23.011 13.769 9.756 1.00 45.43 H new ATOM 0 HG3 PRO A 70 21.492 13.014 10.197 1.00 45.43 H new ATOM 0 HD2 PRO A 70 22.156 15.505 11.077 1.00 54.10 H new ATOM 0 HD3 PRO A 70 21.171 14.425 12.044 1.00 54.10 H new ATOM 1232 N PRO A 79 18.941 8.003 13.717 1.00 32.32 N ATOM 1233 CA PRO A 79 17.802 7.849 14.627 1.00 60.02 C ATOM 1234 C PRO A 79 17.368 9.175 15.241 1.00 31.31 C ATOM 1235 O PRO A 79 18.046 9.718 16.114 1.00 70.01 O ATOM 1236 CB PRO A 79 18.337 6.908 15.709 1.00 61.54 C ATOM 1237 CG PRO A 79 19.813 7.110 15.692 1.00 53.22 C ATOM 1238 CD PRO A 79 20.173 7.409 14.263 1.00 34.41 C ATOM 0 HA PRO A 79 16.918 7.471 14.113 1.00 60.02 H new ATOM 0 HB2 PRO A 79 17.916 7.148 16.685 1.00 61.54 H new ATOM 0 HB3 PRO A 79 18.077 5.871 15.496 1.00 61.54 H new ATOM 0 HG2 PRO A 79 20.102 7.932 16.347 1.00 53.22 H new ATOM 0 HG3 PRO A 79 20.333 6.220 16.048 1.00 53.22 H new ATOM 0 HD2 PRO A 79 21.015 8.098 14.197 1.00 34.41 H new ATOM 0 HD3 PRO A 79 20.457 6.506 13.723 1.00 34.41 H new ATOM 1246 N TYR A 80 16.234 9.692 14.781 1.00 63.33 N ATOM 1247 CA TYR A 80 15.711 10.956 15.285 1.00 15.42 C ATOM 1248 C TYR A 80 14.233 11.111 14.938 1.00 4.01 C ATOM 1249 O TYR A 80 13.789 10.701 13.865 1.00 2.43 O ATOM 1250 CB TYR A 80 16.507 12.128 14.708 1.00 11.05 C ATOM 1251 CG TYR A 80 17.690 12.533 15.558 1.00 33.54 C ATOM 1252 CD1 TYR A 80 17.537 12.809 16.911 1.00 31.32 C ATOM 1253 CD2 TYR A 80 18.962 12.641 15.007 1.00 3.41 C ATOM 1254 CE1 TYR A 80 18.614 13.179 17.691 1.00 75.12 C ATOM 1255 CE2 TYR A 80 20.046 13.010 15.780 1.00 24.24 C ATOM 1256 CZ TYR A 80 19.867 13.278 17.121 1.00 63.13 C ATOM 1257 OH TYR A 80 20.944 13.647 17.894 1.00 73.01 O ATOM 0 H TYR A 80 15.660 9.255 14.060 1.00 63.33 H new ATOM 0 HA TYR A 80 15.813 10.955 16.370 1.00 15.42 H new ATOM 0 HB2 TYR A 80 16.860 11.861 13.712 1.00 11.05 H new ATOM 0 HB3 TYR A 80 15.843 12.985 14.592 1.00 11.05 H new ATOM 0 HD1 TYR A 80 16.558 12.733 17.360 1.00 31.32 H new ATOM 0 HD2 TYR A 80 19.105 12.433 13.957 1.00 3.41 H new ATOM 0 HE1 TYR A 80 18.477 13.390 18.741 1.00 75.12 H new ATOM 0 HE2 TYR A 80 21.028 13.088 15.337 1.00 24.24 H new ATOM 0 HH TYR A 80 21.752 13.668 17.340 1.00 73.01 H new ATOM 1267 N VAL A 81 13.476 11.706 15.854 1.00 32.41 N ATOM 1268 CA VAL A 81 12.048 11.917 15.647 1.00 72.11 C ATOM 1269 C VAL A 81 11.783 13.268 14.993 1.00 43.53 C ATOM 1270 O VAL A 81 12.436 14.263 15.310 1.00 2.13 O ATOM 1271 CB VAL A 81 11.271 11.838 16.973 1.00 43.52 C ATOM 1272 CG1 VAL A 81 11.800 12.865 17.964 1.00 1.40 C ATOM 1273 CG2 VAL A 81 9.783 12.038 16.731 1.00 4.55 C ATOM 0 H VAL A 81 13.828 12.051 16.747 1.00 32.41 H new ATOM 0 HA VAL A 81 11.702 11.122 14.986 1.00 72.11 H new ATOM 0 HB VAL A 81 11.417 10.846 17.401 1.00 43.52 H new ATOM 0 HG11 VAL A 81 11.239 12.794 18.896 1.00 1.40 H new ATOM 0 HG12 VAL A 81 12.855 12.672 18.160 1.00 1.40 H new ATOM 0 HG13 VAL A 81 11.686 13.866 17.547 1.00 1.40 H new ATOM 0 HG21 VAL A 81 9.249 11.979 17.679 1.00 4.55 H new ATOM 0 HG22 VAL A 81 9.616 13.016 16.281 1.00 4.55 H new ATOM 0 HG23 VAL A 81 9.416 11.262 16.059 1.00 4.55 H new ATOM 1283 N PHE A 82 10.819 13.298 14.078 1.00 22.24 N ATOM 1284 CA PHE A 82 10.466 14.528 13.378 1.00 64.03 C ATOM 1285 C PHE A 82 9.013 14.908 13.646 1.00 2.14 C ATOM 1286 O PHE A 82 8.223 14.092 14.122 1.00 62.43 O ATOM 1287 CB PHE A 82 10.695 14.367 11.874 1.00 45.21 C ATOM 1288 CG PHE A 82 12.144 14.258 11.496 1.00 40.35 C ATOM 1289 CD1 PHE A 82 12.880 13.136 11.836 1.00 24.25 C ATOM 1290 CD2 PHE A 82 12.771 15.281 10.801 1.00 21.41 C ATOM 1291 CE1 PHE A 82 14.214 13.033 11.490 1.00 14.25 C ATOM 1292 CE2 PHE A 82 14.104 15.183 10.452 1.00 71.43 C ATOM 1293 CZ PHE A 82 14.827 14.058 10.797 1.00 44.04 C ATOM 0 H PHE A 82 10.268 12.484 13.804 1.00 22.24 H new ATOM 0 HA PHE A 82 11.106 15.327 13.752 1.00 64.03 H new ATOM 0 HB2 PHE A 82 10.170 13.477 11.528 1.00 45.21 H new ATOM 0 HB3 PHE A 82 10.255 15.219 11.355 1.00 45.21 H new ATOM 0 HD1 PHE A 82 12.406 12.331 12.378 1.00 24.25 H new ATOM 0 HD2 PHE A 82 12.211 16.164 10.530 1.00 21.41 H new ATOM 0 HE1 PHE A 82 14.776 12.152 11.761 1.00 14.25 H new ATOM 0 HE2 PHE A 82 14.581 15.986 9.909 1.00 71.43 H new ATOM 0 HZ PHE A 82 15.869 13.980 10.525 1.00 44.04 H new ATOM 1303 N VAL A 83 8.666 16.154 13.337 1.00 51.11 N ATOM 1304 CA VAL A 83 7.308 16.643 13.543 1.00 71.04 C ATOM 1305 C VAL A 83 6.955 17.726 12.528 1.00 71.50 C ATOM 1306 O VAL A 83 7.754 18.621 12.258 1.00 42.31 O ATOM 1307 CB VAL A 83 7.125 17.208 14.963 1.00 64.34 C ATOM 1308 CG1 VAL A 83 7.057 16.079 15.982 1.00 41.15 C ATOM 1309 CG2 VAL A 83 8.249 18.175 15.302 1.00 32.30 C ATOM 0 H VAL A 83 9.307 16.843 12.943 1.00 51.11 H new ATOM 0 HA VAL A 83 6.641 15.792 13.410 1.00 71.04 H new ATOM 0 HB VAL A 83 6.183 17.756 14.998 1.00 64.34 H new ATOM 0 HG11 VAL A 83 6.928 16.497 16.980 1.00 41.15 H new ATOM 0 HG12 VAL A 83 6.214 15.429 15.749 1.00 41.15 H new ATOM 0 HG13 VAL A 83 7.981 15.502 15.948 1.00 41.15 H new ATOM 0 HG21 VAL A 83 8.103 18.564 16.310 1.00 32.30 H new ATOM 0 HG22 VAL A 83 9.205 17.654 15.249 1.00 32.30 H new ATOM 0 HG23 VAL A 83 8.246 19.001 14.590 1.00 32.30 H new ATOM 1319 N ARG A 84 5.752 17.635 11.971 1.00 52.41 N ATOM 1320 CA ARG A 84 5.292 18.606 10.985 1.00 43.35 C ATOM 1321 C ARG A 84 4.469 19.707 11.650 1.00 15.30 C ATOM 1322 O ARG A 84 3.452 20.144 11.113 1.00 44.01 O ATOM 1323 CB ARG A 84 4.459 17.914 9.906 1.00 31.21 C ATOM 1324 CG ARG A 84 4.246 18.762 8.663 1.00 40.52 C ATOM 1325 CD ARG A 84 4.027 17.899 7.430 1.00 71.11 C ATOM 1326 NE ARG A 84 5.286 17.543 6.780 1.00 45.32 N ATOM 1327 CZ ARG A 84 5.367 16.751 5.718 1.00 4.53 C ATOM 1328 NH1 ARG A 84 4.266 16.235 5.188 1.00 32.15 N ATOM 1329 NH2 ARG A 84 6.548 16.473 5.183 1.00 73.23 N ATOM 0 H ARG A 84 5.079 16.900 12.185 1.00 52.41 H new ATOM 0 HA ARG A 84 6.169 19.059 10.522 1.00 43.35 H new ATOM 0 HB2 ARG A 84 4.950 16.984 9.621 1.00 31.21 H new ATOM 0 HB3 ARG A 84 3.488 17.647 10.324 1.00 31.21 H new ATOM 0 HG2 ARG A 84 3.385 19.414 8.809 1.00 40.52 H new ATOM 0 HG3 ARG A 84 5.111 19.406 8.508 1.00 40.52 H new ATOM 0 HD2 ARG A 84 3.496 16.990 7.713 1.00 71.11 H new ATOM 0 HD3 ARG A 84 3.392 18.432 6.723 1.00 71.11 H new ATOM 0 HE ARG A 84 6.151 17.924 7.164 1.00 45.32 H new ATOM 0 HH11 ARG A 84 3.356 16.447 5.597 1.00 32.15 H new ATOM 0 HH12 ARG A 84 4.330 15.627 4.372 1.00 32.15 H new ATOM 0 HH21 ARG A 84 7.397 16.868 5.588 1.00 73.23 H new ATOM 0 HH22 ARG A 84 6.608 15.864 4.367 1.00 73.23 H new ATOM 1343 N SER A 85 4.919 20.149 12.820 1.00 4.51 N ATOM 1344 CA SER A 85 4.221 21.196 13.560 1.00 73.10 C ATOM 1345 C SER A 85 5.206 22.037 14.366 1.00 41.02 C ATOM 1346 O SER A 85 5.719 21.599 15.395 1.00 63.43 O ATOM 1347 CB SER A 85 3.176 20.581 14.492 1.00 13.12 C ATOM 1348 OG SER A 85 2.074 20.075 13.758 1.00 74.10 O ATOM 0 H SER A 85 5.762 19.800 13.276 1.00 4.51 H new ATOM 0 HA SER A 85 3.719 21.843 12.841 1.00 73.10 H new ATOM 0 HB2 SER A 85 3.630 19.778 15.073 1.00 13.12 H new ATOM 0 HB3 SER A 85 2.830 21.332 15.202 1.00 13.12 H new ATOM 0 HG SER A 85 2.260 20.146 12.798 1.00 74.10 H new ATOM 1354 N LYS A 86 5.465 23.251 13.891 1.00 11.12 N ATOM 1355 CA LYS A 86 6.385 24.158 14.565 1.00 65.42 C ATOM 1356 C LYS A 86 5.664 24.968 15.637 1.00 24.21 C ATOM 1357 O LYS A 86 6.264 25.368 16.634 1.00 44.45 O ATOM 1358 CB LYS A 86 7.039 25.100 13.553 1.00 75.04 C ATOM 1359 CG LYS A 86 6.042 25.907 12.740 1.00 23.34 C ATOM 1360 CD LYS A 86 6.357 25.851 11.255 1.00 62.40 C ATOM 1361 CE LYS A 86 5.237 26.456 10.424 1.00 0.42 C ATOM 1362 NZ LYS A 86 5.695 26.812 9.052 1.00 5.22 N ATOM 0 H LYS A 86 5.049 23.629 13.040 1.00 11.12 H new ATOM 0 HA LYS A 86 7.158 23.559 15.046 1.00 65.42 H new ATOM 0 HB2 LYS A 86 7.702 25.784 14.082 1.00 75.04 H new ATOM 0 HB3 LYS A 86 7.660 24.516 12.874 1.00 75.04 H new ATOM 0 HG2 LYS A 86 5.036 25.525 12.914 1.00 23.34 H new ATOM 0 HG3 LYS A 86 6.052 26.944 13.076 1.00 23.34 H new ATOM 0 HD2 LYS A 86 7.286 26.386 11.059 1.00 62.40 H new ATOM 0 HD3 LYS A 86 6.516 24.815 10.955 1.00 62.40 H new ATOM 0 HE2 LYS A 86 4.410 25.749 10.359 1.00 0.42 H new ATOM 0 HE3 LYS A 86 4.856 27.347 10.922 1.00 0.42 H new ATOM 0 HZ1 LYS A 86 4.903 27.221 8.517 1.00 5.22 H new ATOM 0 HZ2 LYS A 86 6.467 27.506 9.113 1.00 5.22 H new ATOM 0 HZ3 LYS A 86 6.035 25.957 8.567 1.00 5.22 H new ATOM 1376 N GLN A 87 4.373 25.203 15.426 1.00 53.31 N ATOM 1377 CA GLN A 87 3.570 25.964 16.375 1.00 43.32 C ATOM 1378 C GLN A 87 3.317 25.157 17.645 1.00 43.43 C ATOM 1379 O GLN A 87 3.539 25.641 18.754 1.00 41.33 O ATOM 1380 CB GLN A 87 2.239 26.370 15.740 1.00 23.43 C ATOM 1381 CG GLN A 87 1.863 27.822 15.989 1.00 12.11 C ATOM 1382 CD GLN A 87 0.432 27.982 16.462 1.00 13.33 C ATOM 1383 OE1 GLN A 87 -0.035 27.241 17.328 1.00 14.00 O ATOM 1384 NE2 GLN A 87 -0.274 28.953 15.895 1.00 4.23 N ATOM 0 H GLN A 87 3.861 24.877 14.606 1.00 53.31 H new ATOM 0 HA GLN A 87 4.125 26.863 16.643 1.00 43.32 H new ATOM 0 HB2 GLN A 87 2.291 26.196 14.665 1.00 23.43 H new ATOM 0 HB3 GLN A 87 1.449 25.727 16.129 1.00 23.43 H new ATOM 0 HG2 GLN A 87 2.537 28.245 16.734 1.00 12.11 H new ATOM 0 HG3 GLN A 87 2.004 28.392 15.071 1.00 12.11 H new ATOM 0 HE21 GLN A 87 0.153 29.544 15.181 1.00 4.23 H new ATOM 0 HE22 GLN A 87 -1.243 29.108 16.173 1.00 4.23 H new ATOM 1393 N ALA A 88 2.850 23.925 17.473 1.00 4.43 N ATOM 1394 CA ALA A 88 2.568 23.051 18.604 1.00 63.45 C ATOM 1395 C ALA A 88 3.813 22.839 19.459 1.00 55.44 C ATOM 1396 O ALA A 88 3.724 22.677 20.677 1.00 54.34 O ATOM 1397 CB ALA A 88 2.027 21.715 18.117 1.00 2.42 C ATOM 0 H ALA A 88 2.659 23.510 16.561 1.00 4.43 H new ATOM 0 HA ALA A 88 1.812 23.533 19.223 1.00 63.45 H new ATOM 0 HB1 ALA A 88 1.821 21.072 18.973 1.00 2.42 H new ATOM 0 HB2 ALA A 88 1.107 21.878 17.555 1.00 2.42 H new ATOM 0 HB3 ALA A 88 2.765 21.236 17.473 1.00 2.42 H new ATOM 1403 N LEU A 89 4.976 22.841 18.813 1.00 5.45 N ATOM 1404 CA LEU A 89 6.240 22.649 19.514 1.00 60.40 C ATOM 1405 C LEU A 89 6.575 23.862 20.376 1.00 51.14 C ATOM 1406 O LEU A 89 7.194 23.734 21.431 1.00 51.12 O ATOM 1407 CB LEU A 89 7.367 22.394 18.511 1.00 61.32 C ATOM 1408 CG LEU A 89 8.496 21.480 18.989 1.00 61.02 C ATOM 1409 CD1 LEU A 89 9.193 20.829 17.805 1.00 12.44 C ATOM 1410 CD2 LEU A 89 9.492 22.261 19.834 1.00 75.11 C ATOM 0 H LEU A 89 5.068 22.973 17.806 1.00 5.45 H new ATOM 0 HA LEU A 89 6.138 21.781 20.166 1.00 60.40 H new ATOM 0 HB2 LEU A 89 6.933 21.961 17.609 1.00 61.32 H new ATOM 0 HB3 LEU A 89 7.799 23.354 18.228 1.00 61.32 H new ATOM 0 HG LEU A 89 8.064 20.693 19.607 1.00 61.02 H new ATOM 0 HD11 LEU A 89 9.993 20.182 18.165 1.00 12.44 H new ATOM 0 HD12 LEU A 89 8.474 20.236 17.240 1.00 12.44 H new ATOM 0 HD13 LEU A 89 9.613 21.601 17.160 1.00 12.44 H new ATOM 0 HD21 LEU A 89 10.289 21.595 20.166 1.00 75.11 H new ATOM 0 HD22 LEU A 89 9.918 23.069 19.240 1.00 75.11 H new ATOM 0 HD23 LEU A 89 8.983 22.679 20.703 1.00 75.11 H new ATOM 1422 N GLY A 90 6.159 25.039 19.919 1.00 11.20 N ATOM 1423 CA GLY A 90 6.422 26.259 20.661 1.00 33.22 C ATOM 1424 C GLY A 90 5.642 26.327 21.959 1.00 52.41 C ATOM 1425 O GLY A 90 6.155 26.797 22.975 1.00 1.04 O ATOM 0 H GLY A 90 5.644 25.170 19.048 1.00 11.20 H new ATOM 0 HA2 GLY A 90 7.488 26.326 20.877 1.00 33.22 H new ATOM 0 HA3 GLY A 90 6.167 27.119 20.042 1.00 33.22 H new ATOM 1429 N ARG A 91 4.398 25.860 21.925 1.00 32.43 N ATOM 1430 CA ARG A 91 3.545 25.873 23.106 1.00 23.25 C ATOM 1431 C ARG A 91 3.957 24.780 24.087 1.00 61.43 C ATOM 1432 O ARG A 91 3.729 24.894 25.291 1.00 60.33 O ATOM 1433 CB ARG A 91 2.080 25.688 22.706 1.00 34.20 C ATOM 1434 CG ARG A 91 1.793 24.346 22.053 1.00 24.35 C ATOM 1435 CD ARG A 91 0.299 24.065 21.989 1.00 40.51 C ATOM 1436 NE ARG A 91 -0.356 24.827 20.930 1.00 52.24 N ATOM 1437 CZ ARG A 91 -1.673 24.881 20.770 1.00 51.43 C ATOM 1438 NH1 ARG A 91 -2.472 24.221 21.597 1.00 11.33 N ATOM 1439 NH2 ARG A 91 -2.194 25.597 19.781 1.00 2.00 N ATOM 0 H ARG A 91 3.959 25.468 21.092 1.00 32.43 H new ATOM 0 HA ARG A 91 3.662 26.840 23.596 1.00 23.25 H new ATOM 0 HB2 ARG A 91 1.454 25.793 23.592 1.00 34.20 H new ATOM 0 HB3 ARG A 91 1.796 26.485 22.019 1.00 34.20 H new ATOM 0 HG2 ARG A 91 2.210 24.334 21.046 1.00 24.35 H new ATOM 0 HG3 ARG A 91 2.290 23.554 22.613 1.00 24.35 H new ATOM 0 HD2 ARG A 91 0.137 23.000 21.822 1.00 40.51 H new ATOM 0 HD3 ARG A 91 -0.157 24.311 22.948 1.00 40.51 H new ATOM 0 HE ARG A 91 0.230 25.347 20.277 1.00 52.24 H new ATOM 0 HH11 ARG A 91 -2.075 23.670 22.358 1.00 11.33 H new ATOM 0 HH12 ARG A 91 -3.483 24.264 21.472 1.00 11.33 H new ATOM 0 HH21 ARG A 91 -1.582 26.106 19.143 1.00 2.00 H new ATOM 0 HH22 ARG A 91 -3.206 25.638 19.659 1.00 2.00 H new ATOM 1453 N ALA A 92 4.565 23.720 23.564 1.00 61.12 N ATOM 1454 CA ALA A 92 5.011 22.608 24.393 1.00 24.31 C ATOM 1455 C ALA A 92 6.202 23.009 25.257 1.00 63.03 C ATOM 1456 O ALA A 92 6.194 22.812 26.473 1.00 3.12 O ATOM 1457 CB ALA A 92 5.367 21.412 23.524 1.00 35.45 C ATOM 0 H ALA A 92 4.760 23.609 22.569 1.00 61.12 H new ATOM 0 HA ALA A 92 4.192 22.331 25.056 1.00 24.31 H new ATOM 0 HB1 ALA A 92 5.699 20.589 24.156 1.00 35.45 H new ATOM 0 HB2 ALA A 92 4.491 21.102 22.955 1.00 35.45 H new ATOM 0 HB3 ALA A 92 6.167 21.687 22.837 1.00 35.45 H new ATOM 1463 N CYS A 93 7.224 23.572 24.622 1.00 74.11 N ATOM 1464 CA CYS A 93 8.423 24.000 25.333 1.00 75.10 C ATOM 1465 C CYS A 93 8.122 25.186 26.243 1.00 60.02 C ATOM 1466 O CYS A 93 8.803 25.401 27.246 1.00 52.24 O ATOM 1467 CB CYS A 93 9.525 24.371 24.340 1.00 51.15 C ATOM 1468 SG CYS A 93 9.063 25.679 23.179 1.00 21.33 S ATOM 0 H CYS A 93 7.246 23.743 23.617 1.00 74.11 H new ATOM 0 HA CYS A 93 8.765 23.169 25.950 1.00 75.10 H new ATOM 0 HB2 CYS A 93 10.408 24.688 24.895 1.00 51.15 H new ATOM 0 HB3 CYS A 93 9.805 23.482 23.776 1.00 51.15 H new ATOM 0 HG CYS A 93 7.807 25.975 23.336 1.00 21.33 H new ATOM 1474 N GLY A 94 7.097 25.953 25.886 1.00 42.23 N ATOM 1475 CA GLY A 94 6.724 27.110 26.681 1.00 74.32 C ATOM 1476 C GLY A 94 7.429 28.375 26.231 1.00 21.51 C ATOM 1477 O GLY A 94 8.040 29.075 27.039 1.00 32.31 O ATOM 0 H GLY A 94 6.518 25.795 25.061 1.00 42.23 H new ATOM 0 HA2 GLY A 94 5.646 27.257 26.619 1.00 74.32 H new ATOM 0 HA3 GLY A 94 6.960 26.919 27.728 1.00 74.32 H new ATOM 1481 N VAL A 95 7.346 28.667 24.937 1.00 53.54 N ATOM 1482 CA VAL A 95 7.982 29.856 24.380 1.00 10.04 C ATOM 1483 C VAL A 95 7.022 30.619 23.475 1.00 43.04 C ATOM 1484 O VAL A 95 6.200 30.022 22.780 1.00 73.04 O ATOM 1485 CB VAL A 95 9.247 29.493 23.579 1.00 64.01 C ATOM 1486 CG1 VAL A 95 9.922 30.748 23.050 1.00 43.11 C ATOM 1487 CG2 VAL A 95 10.206 28.683 24.437 1.00 62.42 C ATOM 0 H VAL A 95 6.845 28.097 24.255 1.00 53.54 H new ATOM 0 HA VAL A 95 8.264 30.489 25.222 1.00 10.04 H new ATOM 0 HB VAL A 95 8.953 28.881 22.726 1.00 64.01 H new ATOM 0 HG11 VAL A 95 10.814 30.472 22.487 1.00 43.11 H new ATOM 0 HG12 VAL A 95 9.233 31.285 22.398 1.00 43.11 H new ATOM 0 HG13 VAL A 95 10.204 31.389 23.885 1.00 43.11 H new ATOM 0 HG21 VAL A 95 11.094 28.435 23.855 1.00 62.42 H new ATOM 0 HG22 VAL A 95 10.496 29.268 25.310 1.00 62.42 H new ATOM 0 HG23 VAL A 95 9.717 27.765 24.761 1.00 62.42 H new ATOM 1497 N SER A 96 7.133 31.943 23.488 1.00 42.52 N ATOM 1498 CA SER A 96 6.272 32.791 22.670 1.00 22.13 C ATOM 1499 C SER A 96 6.360 32.395 21.200 1.00 14.55 C ATOM 1500 O SER A 96 5.356 32.384 20.487 1.00 12.13 O ATOM 1501 CB SER A 96 6.658 34.261 22.839 1.00 73.23 C ATOM 1502 OG SER A 96 8.006 34.389 23.257 1.00 13.20 O ATOM 0 H SER A 96 7.810 32.452 24.056 1.00 42.52 H new ATOM 0 HA SER A 96 5.244 32.653 23.005 1.00 22.13 H new ATOM 0 HB2 SER A 96 6.515 34.789 21.896 1.00 73.23 H new ATOM 0 HB3 SER A 96 6.001 34.731 23.571 1.00 73.23 H new ATOM 0 HG SER A 96 8.045 34.406 24.236 1.00 13.20 H new ATOM 1508 N ARG A 97 7.569 32.072 20.751 1.00 64.22 N ATOM 1509 CA ARG A 97 7.790 31.678 19.365 1.00 65.32 C ATOM 1510 C ARG A 97 8.055 30.179 19.263 1.00 12.23 C ATOM 1511 O ARG A 97 8.414 29.518 20.238 1.00 5.24 O ATOM 1512 CB ARG A 97 8.966 32.456 18.773 1.00 71.13 C ATOM 1513 CG ARG A 97 8.547 33.537 17.789 1.00 73.53 C ATOM 1514 CD ARG A 97 9.567 33.700 16.673 1.00 53.15 C ATOM 1515 NE ARG A 97 8.962 33.551 15.352 1.00 21.11 N ATOM 1516 CZ ARG A 97 8.171 34.464 14.799 1.00 74.14 C ATOM 1517 NH1 ARG A 97 7.894 35.586 15.448 1.00 5.23 N ATOM 1518 NH2 ARG A 97 7.658 34.255 13.593 1.00 51.42 N ATOM 0 H ARG A 97 8.410 32.076 21.328 1.00 64.22 H new ATOM 0 HA ARG A 97 6.888 31.910 18.799 1.00 65.32 H new ATOM 0 HB2 ARG A 97 9.533 32.914 19.584 1.00 71.13 H new ATOM 0 HB3 ARG A 97 9.636 31.759 18.270 1.00 71.13 H new ATOM 0 HG2 ARG A 97 7.576 33.285 17.362 1.00 73.53 H new ATOM 0 HG3 ARG A 97 8.428 34.484 18.316 1.00 73.53 H new ATOM 0 HD2 ARG A 97 10.034 34.682 16.749 1.00 53.15 H new ATOM 0 HD3 ARG A 97 10.359 32.961 16.795 1.00 53.15 H new ATOM 0 HE ARG A 97 9.157 32.700 14.825 1.00 21.11 H new ATOM 0 HH11 ARG A 97 8.288 35.750 16.374 1.00 5.23 H new ATOM 0 HH12 ARG A 97 7.286 36.285 15.021 1.00 5.23 H new ATOM 0 HH21 ARG A 97 7.871 33.393 13.091 1.00 51.42 H new ATOM 0 HH22 ARG A 97 7.051 34.956 13.169 1.00 51.42 H new ATOM 1532 N PRO A 98 7.874 29.627 18.053 1.00 63.04 N ATOM 1533 CA PRO A 98 8.088 28.201 17.795 1.00 34.24 C ATOM 1534 C PRO A 98 9.562 27.814 17.859 1.00 32.33 C ATOM 1535 O PRO A 98 10.427 28.661 18.079 1.00 64.24 O ATOM 1536 CB PRO A 98 7.548 28.012 16.375 1.00 1.41 C ATOM 1537 CG PRO A 98 7.668 29.356 15.743 1.00 73.43 C ATOM 1538 CD PRO A 98 7.448 30.354 16.846 1.00 12.13 C ATOM 0 HA PRO A 98 7.597 27.575 18.540 1.00 34.24 H new ATOM 0 HB2 PRO A 98 8.123 27.265 15.829 1.00 1.41 H new ATOM 0 HB3 PRO A 98 6.513 27.671 16.387 1.00 1.41 H new ATOM 0 HG2 PRO A 98 8.650 29.487 15.288 1.00 73.43 H new ATOM 0 HG3 PRO A 98 6.930 29.482 14.950 1.00 73.43 H new ATOM 0 HD2 PRO A 98 8.037 31.259 16.693 1.00 12.13 H new ATOM 0 HD3 PRO A 98 6.404 30.660 16.909 1.00 12.13 H new ATOM 1546 N VAL A 99 9.842 26.529 17.664 1.00 22.14 N ATOM 1547 CA VAL A 99 11.211 26.031 17.698 1.00 22.24 C ATOM 1548 C VAL A 99 11.487 25.098 16.524 1.00 3.41 C ATOM 1549 O VAL A 99 10.698 24.197 16.236 1.00 73.20 O ATOM 1550 CB VAL A 99 11.503 25.282 19.013 1.00 54.24 C ATOM 1551 CG1 VAL A 99 12.981 24.936 19.113 1.00 71.31 C ATOM 1552 CG2 VAL A 99 11.060 26.113 20.208 1.00 3.11 C ATOM 0 H VAL A 99 9.138 25.814 17.481 1.00 22.14 H new ATOM 0 HA VAL A 99 11.865 26.900 17.629 1.00 22.24 H new ATOM 0 HB VAL A 99 10.935 24.352 19.015 1.00 54.24 H new ATOM 0 HG11 VAL A 99 13.169 24.408 20.048 1.00 71.31 H new ATOM 0 HG12 VAL A 99 13.263 24.300 18.274 1.00 71.31 H new ATOM 0 HG13 VAL A 99 13.572 25.852 19.089 1.00 71.31 H new ATOM 0 HG21 VAL A 99 11.273 25.569 21.128 1.00 3.11 H new ATOM 0 HG22 VAL A 99 11.599 27.060 20.213 1.00 3.11 H new ATOM 0 HG23 VAL A 99 9.989 26.306 20.140 1.00 3.11 H new ATOM 1562 N ILE A 100 12.609 25.321 15.849 1.00 55.04 N ATOM 1563 CA ILE A 100 12.989 24.500 14.707 1.00 74.52 C ATOM 1564 C ILE A 100 13.339 23.082 15.142 1.00 33.25 C ATOM 1565 O ILE A 100 12.920 22.108 14.516 1.00 21.21 O ATOM 1566 CB ILE A 100 14.189 25.104 13.953 1.00 44.42 C ATOM 1567 CG1 ILE A 100 13.946 26.589 13.671 1.00 64.51 C ATOM 1568 CG2 ILE A 100 14.436 24.347 12.657 1.00 12.23 C ATOM 1569 CD1 ILE A 100 12.726 26.850 12.815 1.00 74.15 C ATOM 0 H ILE A 100 13.271 26.064 16.073 1.00 55.04 H new ATOM 0 HA ILE A 100 12.128 24.471 14.039 1.00 74.52 H new ATOM 0 HB ILE A 100 15.077 25.012 14.579 1.00 44.42 H new ATOM 0 HG12 ILE A 100 13.835 27.117 14.618 1.00 64.51 H new ATOM 0 HG13 ILE A 100 14.823 27.005 13.175 1.00 64.51 H new ATOM 0 HG21 ILE A 100 15.287 24.786 12.136 1.00 12.23 H new ATOM 0 HG22 ILE A 100 14.647 23.301 12.881 1.00 12.23 H new ATOM 0 HG23 ILE A 100 13.551 24.411 12.024 1.00 12.23 H new ATOM 0 HD11 ILE A 100 12.616 27.923 12.656 1.00 74.15 H new ATOM 0 HD12 ILE A 100 12.843 26.351 11.853 1.00 74.15 H new ATOM 0 HD13 ILE A 100 11.839 26.465 13.318 1.00 74.15 H new ATOM 1581 N ALA A 101 14.110 22.971 16.219 1.00 4.40 N ATOM 1582 CA ALA A 101 14.513 21.671 16.741 1.00 53.24 C ATOM 1583 C ALA A 101 14.927 21.772 18.205 1.00 51.04 C ATOM 1584 O ALA A 101 15.821 22.545 18.556 1.00 5.15 O ATOM 1585 CB ALA A 101 15.649 21.098 15.907 1.00 23.42 C ATOM 0 H ALA A 101 14.468 23.767 16.747 1.00 4.40 H new ATOM 0 HA ALA A 101 13.657 21.000 16.679 1.00 53.24 H new ATOM 0 HB1 ALA A 101 15.941 20.127 16.307 1.00 23.42 H new ATOM 0 HB2 ALA A 101 15.319 20.981 14.875 1.00 23.42 H new ATOM 0 HB3 ALA A 101 16.502 21.775 15.940 1.00 23.42 H new ATOM 1591 N CYS A 102 14.273 20.989 19.055 1.00 41.03 N ATOM 1592 CA CYS A 102 14.573 20.991 20.483 1.00 61.01 C ATOM 1593 C CYS A 102 15.218 19.675 20.905 1.00 10.35 C ATOM 1594 O CYS A 102 14.911 18.618 20.355 1.00 63.41 O ATOM 1595 CB CYS A 102 13.297 21.231 21.293 1.00 35.43 C ATOM 1596 SG CYS A 102 11.958 20.075 20.919 1.00 22.21 S ATOM 0 H CYS A 102 13.532 20.344 18.781 1.00 41.03 H new ATOM 0 HA CYS A 102 15.277 21.799 20.680 1.00 61.01 H new ATOM 0 HB2 CYS A 102 13.535 21.164 22.355 1.00 35.43 H new ATOM 0 HB3 CYS A 102 12.948 22.247 21.109 1.00 35.43 H new ATOM 0 HG CYS A 102 11.765 20.035 19.634 1.00 22.21 H new ATOM 1602 N SER A 103 16.114 19.749 21.883 1.00 62.23 N ATOM 1603 CA SER A 103 16.807 18.564 22.376 1.00 42.24 C ATOM 1604 C SER A 103 16.304 18.178 23.764 1.00 54.04 C ATOM 1605 O SER A 103 15.727 18.998 24.478 1.00 40.11 O ATOM 1606 CB SER A 103 18.317 18.811 22.418 1.00 43.12 C ATOM 1607 OG SER A 103 18.663 19.979 21.695 1.00 35.22 O ATOM 0 H SER A 103 16.378 20.617 22.350 1.00 62.23 H new ATOM 0 HA SER A 103 16.599 17.741 21.692 1.00 42.24 H new ATOM 0 HB2 SER A 103 18.644 18.910 23.453 1.00 43.12 H new ATOM 0 HB3 SER A 103 18.841 17.952 21.999 1.00 43.12 H new ATOM 0 HG SER A 103 18.339 20.769 22.176 1.00 35.22 H new ATOM 1613 N VAL A 104 16.528 16.923 24.139 1.00 63.22 N ATOM 1614 CA VAL A 104 16.099 16.426 25.442 1.00 54.14 C ATOM 1615 C VAL A 104 17.237 15.707 26.157 1.00 23.31 C ATOM 1616 O VAL A 104 17.878 14.818 25.593 1.00 44.14 O ATOM 1617 CB VAL A 104 14.902 15.466 25.310 1.00 54.32 C ATOM 1618 CG1 VAL A 104 14.493 14.933 26.674 1.00 32.41 C ATOM 1619 CG2 VAL A 104 13.734 16.164 24.629 1.00 3.12 C ATOM 0 H VAL A 104 17.004 16.231 23.560 1.00 63.22 H new ATOM 0 HA VAL A 104 15.796 17.294 26.028 1.00 54.14 H new ATOM 0 HB VAL A 104 15.202 14.620 24.691 1.00 54.32 H new ATOM 0 HG11 VAL A 104 13.646 14.256 26.561 1.00 32.41 H new ATOM 0 HG12 VAL A 104 15.330 14.396 27.120 1.00 32.41 H new ATOM 0 HG13 VAL A 104 14.210 15.764 27.320 1.00 32.41 H new ATOM 0 HG21 VAL A 104 12.896 15.472 24.543 1.00 3.12 H new ATOM 0 HG22 VAL A 104 13.432 17.028 25.220 1.00 3.12 H new ATOM 0 HG23 VAL A 104 14.036 16.493 23.635 1.00 3.12 H new ATOM 1629 N THR A 105 17.485 16.095 27.404 1.00 1.50 N ATOM 1630 CA THR A 105 18.546 15.488 28.198 1.00 11.34 C ATOM 1631 C THR A 105 17.971 14.605 29.300 1.00 3.32 C ATOM 1632 O THR A 105 16.779 14.671 29.602 1.00 24.23 O ATOM 1633 CB THR A 105 19.454 16.558 28.834 1.00 0.32 C ATOM 1634 OG1 THR A 105 18.678 17.428 29.665 1.00 2.34 O ATOM 1635 CG2 THR A 105 20.163 17.371 27.762 1.00 11.50 C ATOM 0 H THR A 105 16.965 16.828 27.886 1.00 1.50 H new ATOM 0 HA THR A 105 19.139 14.876 27.518 1.00 11.34 H new ATOM 0 HB THR A 105 20.205 16.052 29.441 1.00 0.32 H new ATOM 0 HG1 THR A 105 19.263 18.104 30.067 1.00 2.34 H new ATOM 0 HG21 THR A 105 20.798 18.120 28.234 1.00 11.50 H new ATOM 0 HG22 THR A 105 20.776 16.710 27.149 1.00 11.50 H new ATOM 0 HG23 THR A 105 19.424 17.867 27.133 1.00 11.50 H new ATOM 1643 N ILE A 106 18.825 13.781 29.897 1.00 52.12 N ATOM 1644 CA ILE A 106 18.402 12.886 30.968 1.00 52.45 C ATOM 1645 C ILE A 106 18.449 13.588 32.321 1.00 52.24 C ATOM 1646 O ILE A 106 19.313 14.431 32.566 1.00 22.15 O ATOM 1647 CB ILE A 106 19.281 11.623 31.026 1.00 2.50 C ATOM 1648 CG1 ILE A 106 18.690 10.610 32.009 1.00 40.11 C ATOM 1649 CG2 ILE A 106 20.704 11.985 31.420 1.00 74.23 C ATOM 1650 CD1 ILE A 106 17.304 10.138 31.631 1.00 15.41 C ATOM 0 H ILE A 106 19.814 13.714 29.658 1.00 52.12 H new ATOM 0 HA ILE A 106 17.375 12.594 30.749 1.00 52.45 H new ATOM 0 HB ILE A 106 19.305 11.169 30.036 1.00 2.50 H new ATOM 0 HG12 ILE A 106 19.354 9.748 32.072 1.00 40.11 H new ATOM 0 HG13 ILE A 106 18.654 11.058 33.002 1.00 40.11 H new ATOM 0 HG21 ILE A 106 21.312 11.081 31.457 1.00 74.23 H new ATOM 0 HG22 ILE A 106 21.121 12.674 30.685 1.00 74.23 H new ATOM 0 HG23 ILE A 106 20.700 12.460 32.401 1.00 74.23 H new ATOM 0 HD11 ILE A 106 16.949 9.422 32.372 1.00 15.41 H new ATOM 0 HD12 ILE A 106 16.626 10.991 31.596 1.00 15.41 H new ATOM 0 HD13 ILE A 106 17.337 9.660 30.652 1.00 15.41 H new ATOM 1662 N LYS A 107 17.517 13.233 33.198 1.00 50.01 N ATOM 1663 CA LYS A 107 17.453 13.825 34.529 1.00 20.12 C ATOM 1664 C LYS A 107 18.052 12.886 35.571 1.00 51.22 C ATOM 1665 O LYS A 107 17.880 11.670 35.497 1.00 13.44 O ATOM 1666 CB LYS A 107 16.003 14.151 34.895 1.00 44.53 C ATOM 1667 CG LYS A 107 15.850 14.791 36.264 1.00 60.41 C ATOM 1668 CD LYS A 107 15.098 16.107 36.184 1.00 44.05 C ATOM 1669 CE LYS A 107 16.006 17.242 35.735 1.00 62.14 C ATOM 1670 NZ LYS A 107 16.995 17.610 36.786 1.00 40.23 N ATOM 0 H LYS A 107 16.795 12.538 33.011 1.00 50.01 H new ATOM 0 HA LYS A 107 18.035 14.747 34.518 1.00 20.12 H new ATOM 0 HB2 LYS A 107 15.589 14.821 34.142 1.00 44.53 H new ATOM 0 HB3 LYS A 107 15.414 13.234 34.864 1.00 44.53 H new ATOM 0 HG2 LYS A 107 15.320 14.108 36.928 1.00 60.41 H new ATOM 0 HG3 LYS A 107 16.835 14.960 36.700 1.00 60.41 H new ATOM 0 HD2 LYS A 107 14.265 16.009 35.488 1.00 44.05 H new ATOM 0 HD3 LYS A 107 14.673 16.344 37.159 1.00 44.05 H new ATOM 0 HE2 LYS A 107 16.533 16.948 34.827 1.00 62.14 H new ATOM 0 HE3 LYS A 107 15.401 18.113 35.484 1.00 62.14 H new ATOM 0 HZ1 LYS A 107 17.368 18.561 36.593 1.00 40.23 H new ATOM 0 HZ2 LYS A 107 16.531 17.602 37.717 1.00 40.23 H new ATOM 0 HZ3 LYS A 107 17.777 16.924 36.783 1.00 40.23 H new ATOM 1684 N GLU A 108 18.755 13.459 36.543 1.00 43.42 N ATOM 1685 CA GLU A 108 19.378 12.673 37.600 1.00 72.34 C ATOM 1686 C GLU A 108 18.361 11.746 38.261 1.00 35.31 C ATOM 1687 O GLU A 108 17.159 12.004 38.232 1.00 40.54 O ATOM 1688 CB GLU A 108 20.003 13.594 38.651 1.00 2.34 C ATOM 1689 CG GLU A 108 21.399 14.072 38.289 1.00 21.25 C ATOM 1690 CD GLU A 108 22.242 14.385 39.510 1.00 54.32 C ATOM 1691 OE1 GLU A 108 21.694 14.949 40.479 1.00 63.14 O ATOM 1692 OE2 GLU A 108 23.450 14.068 39.493 1.00 65.33 O ATOM 0 H GLU A 108 18.907 14.465 36.620 1.00 43.42 H new ATOM 0 HA GLU A 108 20.161 12.063 37.150 1.00 72.34 H new ATOM 0 HB2 GLU A 108 19.357 14.460 38.793 1.00 2.34 H new ATOM 0 HB3 GLU A 108 20.044 13.068 39.605 1.00 2.34 H new ATOM 0 HG2 GLU A 108 21.898 13.307 37.694 1.00 21.25 H new ATOM 0 HG3 GLU A 108 21.324 14.963 37.666 1.00 21.25 H new ATOM 1699 N GLY A 109 18.854 10.664 38.854 1.00 22.41 N ATOM 1700 CA GLY A 109 17.976 9.713 39.513 1.00 41.30 C ATOM 1701 C GLY A 109 17.238 8.828 38.528 1.00 71.35 C ATOM 1702 O GLY A 109 16.405 8.012 38.921 1.00 64.31 O ATOM 0 H GLY A 109 19.846 10.428 38.890 1.00 22.41 H new ATOM 0 HA2 GLY A 109 18.562 9.090 40.189 1.00 41.30 H new ATOM 0 HA3 GLY A 109 17.253 10.253 40.124 1.00 41.30 H new ATOM 1706 N SER A 110 17.544 8.989 37.245 1.00 55.30 N ATOM 1707 CA SER A 110 16.900 8.202 36.201 1.00 33.25 C ATOM 1708 C SER A 110 15.393 8.443 36.189 1.00 62.40 C ATOM 1709 O SER A 110 14.630 7.641 35.651 1.00 44.01 O ATOM 1710 CB SER A 110 17.188 6.713 36.405 1.00 12.34 C ATOM 1711 OG SER A 110 17.806 6.151 35.260 1.00 40.20 O ATOM 0 H SER A 110 18.234 9.658 36.904 1.00 55.30 H new ATOM 0 HA SER A 110 17.308 8.516 35.240 1.00 33.25 H new ATOM 0 HB2 SER A 110 17.834 6.580 37.273 1.00 12.34 H new ATOM 0 HB3 SER A 110 16.258 6.185 36.616 1.00 12.34 H new ATOM 0 HG SER A 110 17.981 5.200 35.417 1.00 40.20 H new ATOM 1717 N GLN A 111 14.974 9.554 36.786 1.00 63.03 N ATOM 1718 CA GLN A 111 13.559 9.901 36.846 1.00 12.22 C ATOM 1719 C GLN A 111 12.982 10.074 35.445 1.00 14.15 C ATOM 1720 O GLN A 111 11.821 9.745 35.195 1.00 31.52 O ATOM 1721 CB GLN A 111 13.361 11.186 37.653 1.00 21.43 C ATOM 1722 CG GLN A 111 11.952 11.750 37.563 1.00 34.32 C ATOM 1723 CD GLN A 111 10.908 10.803 38.121 1.00 23.12 C ATOM 1724 OE1 GLN A 111 10.183 10.148 37.372 1.00 54.03 O ATOM 1725 NE2 GLN A 111 10.824 10.727 39.444 1.00 0.01 N ATOM 0 H GLN A 111 15.594 10.229 37.235 1.00 63.03 H new ATOM 0 HA GLN A 111 13.031 9.085 37.339 1.00 12.22 H new ATOM 0 HB2 GLN A 111 13.598 10.989 38.698 1.00 21.43 H new ATOM 0 HB3 GLN A 111 14.068 11.938 37.302 1.00 21.43 H new ATOM 0 HG2 GLN A 111 11.907 12.694 38.105 1.00 34.32 H new ATOM 0 HG3 GLN A 111 11.718 11.969 36.521 1.00 34.32 H new ATOM 0 HE21 GLN A 111 11.445 11.288 40.027 1.00 0.01 H new ATOM 0 HE22 GLN A 111 10.139 10.108 39.877 1.00 0.01 H new ATOM 1734 N LEU A 112 13.797 10.592 34.533 1.00 61.14 N ATOM 1735 CA LEU A 112 13.367 10.809 33.157 1.00 54.53 C ATOM 1736 C LEU A 112 13.737 9.619 32.277 1.00 14.12 C ATOM 1737 O LEU A 112 13.137 9.401 31.224 1.00 70.54 O ATOM 1738 CB LEU A 112 14.000 12.085 32.599 1.00 2.11 C ATOM 1739 CG LEU A 112 13.176 13.365 32.751 1.00 21.44 C ATOM 1740 CD1 LEU A 112 11.966 13.333 31.830 1.00 72.13 C ATOM 1741 CD2 LEU A 112 12.742 13.550 34.198 1.00 60.15 C ATOM 0 H LEU A 112 14.760 10.870 34.722 1.00 61.14 H new ATOM 0 HA LEU A 112 12.282 10.917 33.154 1.00 54.53 H new ATOM 0 HB2 LEU A 112 14.961 12.235 33.091 1.00 2.11 H new ATOM 0 HB3 LEU A 112 14.204 11.932 31.539 1.00 2.11 H new ATOM 0 HG LEU A 112 13.800 14.213 32.468 1.00 21.44 H new ATOM 0 HD11 LEU A 112 11.392 14.251 31.952 1.00 72.13 H new ATOM 0 HD12 LEU A 112 12.298 13.247 30.795 1.00 72.13 H new ATOM 0 HD13 LEU A 112 11.340 12.477 32.082 1.00 72.13 H new ATOM 0 HD21 LEU A 112 12.157 14.465 34.288 1.00 60.15 H new ATOM 0 HD22 LEU A 112 12.135 12.699 34.507 1.00 60.15 H new ATOM 0 HD23 LEU A 112 13.623 13.618 34.836 1.00 60.15 H new ATOM 1753 N LYS A 113 14.726 8.849 32.717 1.00 51.04 N ATOM 1754 CA LYS A 113 15.174 7.678 31.973 1.00 41.21 C ATOM 1755 C LYS A 113 13.999 6.768 31.631 1.00 41.13 C ATOM 1756 O LYS A 113 14.010 6.081 30.611 1.00 73.13 O ATOM 1757 CB LYS A 113 16.216 6.901 32.782 1.00 62.14 C ATOM 1758 CG LYS A 113 17.410 6.449 31.961 1.00 33.11 C ATOM 1759 CD LYS A 113 17.716 4.978 32.187 1.00 35.11 C ATOM 1760 CE LYS A 113 18.291 4.329 30.937 1.00 54.41 C ATOM 1761 NZ LYS A 113 17.538 3.105 30.549 1.00 2.20 N ATOM 0 H LYS A 113 15.233 9.015 33.586 1.00 51.04 H new ATOM 0 HA LYS A 113 15.627 8.022 31.043 1.00 41.21 H new ATOM 0 HB2 LYS A 113 16.566 7.526 33.603 1.00 62.14 H new ATOM 0 HB3 LYS A 113 15.740 6.027 33.227 1.00 62.14 H new ATOM 0 HG2 LYS A 113 17.212 6.622 30.903 1.00 33.11 H new ATOM 0 HG3 LYS A 113 18.282 7.048 32.225 1.00 33.11 H new ATOM 0 HD2 LYS A 113 18.423 4.875 33.010 1.00 35.11 H new ATOM 0 HD3 LYS A 113 16.805 4.457 32.482 1.00 35.11 H new ATOM 0 HE2 LYS A 113 18.270 5.044 30.115 1.00 54.41 H new ATOM 0 HE3 LYS A 113 19.336 4.072 31.109 1.00 54.41 H new ATOM 0 HZ1 LYS A 113 17.962 2.693 29.693 1.00 2.20 H new ATOM 0 HZ2 LYS A 113 17.579 2.412 31.323 1.00 2.20 H new ATOM 0 HZ3 LYS A 113 16.546 3.353 30.359 1.00 2.20 H new ATOM 1775 N GLN A 114 12.985 6.770 32.492 1.00 73.40 N ATOM 1776 CA GLN A 114 11.803 5.944 32.279 1.00 23.13 C ATOM 1777 C GLN A 114 10.842 6.611 31.301 1.00 3.44 C ATOM 1778 O GLN A 114 10.424 6.003 30.315 1.00 53.04 O ATOM 1779 CB GLN A 114 11.093 5.680 33.609 1.00 41.15 C ATOM 1780 CG GLN A 114 10.225 4.433 33.599 1.00 34.22 C ATOM 1781 CD GLN A 114 10.781 3.328 34.474 1.00 62.54 C ATOM 1782 OE1 GLN A 114 10.970 2.198 34.024 1.00 22.05 O ATOM 1783 NE2 GLN A 114 11.047 3.649 35.735 1.00 71.11 N ATOM 0 H GLN A 114 12.959 7.334 33.342 1.00 73.40 H new ATOM 0 HA GLN A 114 12.126 4.995 31.852 1.00 23.13 H new ATOM 0 HB2 GLN A 114 11.840 5.586 34.397 1.00 41.15 H new ATOM 0 HB3 GLN A 114 10.473 6.542 33.858 1.00 41.15 H new ATOM 0 HG2 GLN A 114 9.222 4.690 33.939 1.00 34.22 H new ATOM 0 HG3 GLN A 114 10.131 4.069 32.576 1.00 34.22 H new ATOM 0 HE21 GLN A 114 10.875 4.598 36.067 1.00 71.11 H new ATOM 0 HE22 GLN A 114 11.423 2.946 36.372 1.00 71.11 H new ATOM 1792 N GLN A 115 10.494 7.863 31.580 1.00 73.34 N ATOM 1793 CA GLN A 115 9.582 8.612 30.724 1.00 1.03 C ATOM 1794 C GLN A 115 10.124 8.707 29.302 1.00 72.41 C ATOM 1795 O GLN A 115 9.468 8.287 28.348 1.00 51.33 O ATOM 1796 CB GLN A 115 9.352 10.014 31.290 1.00 73.54 C ATOM 1797 CG GLN A 115 8.485 10.032 32.538 1.00 4.41 C ATOM 1798 CD GLN A 115 7.026 9.746 32.238 1.00 61.10 C ATOM 1799 OE1 GLN A 115 6.240 10.660 31.990 1.00 50.04 O ATOM 1800 NE2 GLN A 115 6.657 8.470 32.260 1.00 11.51 N ATOM 0 H GLN A 115 10.830 8.380 32.392 1.00 73.34 H new ATOM 0 HA GLN A 115 8.631 8.079 30.696 1.00 1.03 H new ATOM 0 HB2 GLN A 115 10.317 10.466 31.521 1.00 73.54 H new ATOM 0 HB3 GLN A 115 8.885 10.634 30.524 1.00 73.54 H new ATOM 0 HG2 GLN A 115 8.858 9.292 33.246 1.00 4.41 H new ATOM 0 HG3 GLN A 115 8.569 11.006 33.020 1.00 4.41 H new ATOM 0 HE21 GLN A 115 7.342 7.744 32.470 1.00 11.51 H new ATOM 0 HE22 GLN A 115 5.688 8.216 32.066 1.00 11.51 H new ATOM 1809 N ILE A 116 11.325 9.260 29.167 1.00 4.44 N ATOM 1810 CA ILE A 116 11.954 9.410 27.862 1.00 30.34 C ATOM 1811 C ILE A 116 12.042 8.071 27.137 1.00 41.20 C ATOM 1812 O ILE A 116 11.958 8.012 25.911 1.00 13.54 O ATOM 1813 CB ILE A 116 13.369 10.008 27.984 1.00 3.15 C ATOM 1814 CG1 ILE A 116 13.310 11.373 28.671 1.00 52.33 C ATOM 1815 CG2 ILE A 116 14.014 10.125 26.611 1.00 54.54 C ATOM 1816 CD1 ILE A 116 14.673 11.949 28.989 1.00 31.41 C ATOM 0 H ILE A 116 11.881 9.611 29.946 1.00 4.44 H new ATOM 0 HA ILE A 116 11.328 10.092 27.287 1.00 30.34 H new ATOM 0 HB ILE A 116 13.979 9.342 28.594 1.00 3.15 H new ATOM 0 HG12 ILE A 116 12.770 12.070 28.030 1.00 52.33 H new ATOM 0 HG13 ILE A 116 12.739 11.281 29.595 1.00 52.33 H new ATOM 0 HG21 ILE A 116 15.013 10.549 26.713 1.00 54.54 H new ATOM 0 HG22 ILE A 116 14.084 9.137 26.156 1.00 54.54 H new ATOM 0 HG23 ILE A 116 13.408 10.773 25.978 1.00 54.54 H new ATOM 0 HD11 ILE A 116 14.554 12.917 29.475 1.00 31.41 H new ATOM 0 HD12 ILE A 116 15.208 11.272 29.655 1.00 31.41 H new ATOM 0 HD13 ILE A 116 15.240 12.073 28.066 1.00 31.41 H new ATOM 1828 N GLN A 117 12.210 6.999 27.904 1.00 25.43 N ATOM 1829 CA GLN A 117 12.307 5.660 27.335 1.00 20.23 C ATOM 1830 C GLN A 117 11.040 5.303 26.565 1.00 12.21 C ATOM 1831 O GLN A 117 11.082 4.534 25.604 1.00 20.43 O ATOM 1832 CB GLN A 117 12.554 4.630 28.439 1.00 20.03 C ATOM 1833 CG GLN A 117 13.983 4.114 28.480 1.00 14.44 C ATOM 1834 CD GLN A 117 14.239 3.025 27.456 1.00 32.11 C ATOM 1835 OE1 GLN A 117 14.533 3.305 26.294 1.00 43.03 O ATOM 1836 NE2 GLN A 117 14.128 1.772 27.884 1.00 74.35 N ATOM 0 H GLN A 117 12.282 7.031 28.921 1.00 25.43 H new ATOM 0 HA GLN A 117 13.148 5.647 26.642 1.00 20.23 H new ATOM 0 HB2 GLN A 117 12.310 5.077 29.403 1.00 20.03 H new ATOM 0 HB3 GLN A 117 11.876 3.788 28.297 1.00 20.03 H new ATOM 0 HG2 GLN A 117 14.670 4.942 28.304 1.00 14.44 H new ATOM 0 HG3 GLN A 117 14.198 3.728 29.477 1.00 14.44 H new ATOM 0 HE21 GLN A 117 13.882 1.585 28.856 1.00 74.35 H new ATOM 0 HE22 GLN A 117 14.289 0.997 27.240 1.00 74.35 H new ATOM 1845 N SER A 118 9.914 5.865 26.993 1.00 13.15 N ATOM 1846 CA SER A 118 8.634 5.603 26.345 1.00 22.12 C ATOM 1847 C SER A 118 8.651 6.077 24.896 1.00 5.43 C ATOM 1848 O SER A 118 8.300 5.330 23.983 1.00 4.42 O ATOM 1849 CB SER A 118 7.502 6.293 27.108 1.00 71.14 C ATOM 1850 OG SER A 118 6.282 5.589 26.958 1.00 62.41 O ATOM 0 H SER A 118 9.862 6.505 27.786 1.00 13.15 H new ATOM 0 HA SER A 118 8.464 4.526 26.353 1.00 22.12 H new ATOM 0 HB2 SER A 118 7.759 6.359 28.165 1.00 71.14 H new ATOM 0 HB3 SER A 118 7.383 7.314 26.744 1.00 71.14 H new ATOM 0 HG SER A 118 5.575 6.050 27.457 1.00 62.41 H new ATOM 1856 N ILE A 119 9.062 7.324 24.693 1.00 43.21 N ATOM 1857 CA ILE A 119 9.125 7.899 23.356 1.00 40.51 C ATOM 1858 C ILE A 119 10.359 7.410 22.605 1.00 31.05 C ATOM 1859 O ILE A 119 10.347 7.300 21.379 1.00 74.00 O ATOM 1860 CB ILE A 119 9.146 9.439 23.405 1.00 21.53 C ATOM 1861 CG1 ILE A 119 8.994 10.018 21.997 1.00 41.11 C ATOM 1862 CG2 ILE A 119 10.433 9.931 24.050 1.00 10.32 C ATOM 1863 CD1 ILE A 119 7.830 10.975 21.860 1.00 31.14 C ATOM 0 H ILE A 119 9.356 7.955 25.438 1.00 43.21 H new ATOM 0 HA ILE A 119 8.228 7.572 22.830 1.00 40.51 H new ATOM 0 HB ILE A 119 8.306 9.780 24.010 1.00 21.53 H new ATOM 0 HG12 ILE A 119 9.914 10.536 21.724 1.00 41.11 H new ATOM 0 HG13 ILE A 119 8.867 9.200 21.288 1.00 41.11 H new ATOM 0 HG21 ILE A 119 10.433 11.021 24.077 1.00 10.32 H new ATOM 0 HG22 ILE A 119 10.502 9.543 25.066 1.00 10.32 H new ATOM 0 HG23 ILE A 119 11.287 9.583 23.469 1.00 10.32 H new ATOM 0 HD11 ILE A 119 7.783 11.346 20.836 1.00 31.14 H new ATOM 0 HD12 ILE A 119 6.902 10.456 22.101 1.00 31.14 H new ATOM 0 HD13 ILE A 119 7.965 11.813 22.544 1.00 31.14 H new ATOM 1875 N GLN A 120 11.420 7.116 23.349 1.00 24.42 N ATOM 1876 CA GLN A 120 12.661 6.636 22.753 1.00 0.25 C ATOM 1877 C GLN A 120 12.422 5.363 21.948 1.00 21.01 C ATOM 1878 O GLN A 120 12.907 5.227 20.825 1.00 62.53 O ATOM 1879 CB GLN A 120 13.707 6.377 23.839 1.00 41.53 C ATOM 1880 CG GLN A 120 15.049 5.919 23.294 1.00 61.04 C ATOM 1881 CD GLN A 120 16.016 7.068 23.084 1.00 53.15 C ATOM 1882 OE1 GLN A 120 16.282 7.472 21.951 1.00 3.45 O ATOM 1883 NE2 GLN A 120 16.549 7.602 24.177 1.00 1.21 N ATOM 0 H GLN A 120 11.445 7.202 24.365 1.00 24.42 H new ATOM 0 HA GLN A 120 13.032 7.407 22.078 1.00 0.25 H new ATOM 0 HB2 GLN A 120 13.852 7.289 24.418 1.00 41.53 H new ATOM 0 HB3 GLN A 120 13.326 5.621 24.526 1.00 41.53 H new ATOM 0 HG2 GLN A 120 15.490 5.199 23.983 1.00 61.04 H new ATOM 0 HG3 GLN A 120 14.895 5.401 22.347 1.00 61.04 H new ATOM 0 HE21 GLN A 120 16.301 7.236 25.096 1.00 1.21 H new ATOM 0 HE22 GLN A 120 17.206 8.378 24.097 1.00 1.21 H new ATOM 1892 N GLN A 121 11.670 4.433 22.530 1.00 71.42 N ATOM 1893 CA GLN A 121 11.368 3.170 21.866 1.00 62.04 C ATOM 1894 C GLN A 121 10.570 3.405 20.587 1.00 22.41 C ATOM 1895 O GLN A 121 10.658 2.627 19.638 1.00 13.54 O ATOM 1896 CB GLN A 121 10.590 2.249 22.806 1.00 43.21 C ATOM 1897 CG GLN A 121 11.377 1.029 23.254 1.00 32.51 C ATOM 1898 CD GLN A 121 11.819 1.117 24.701 1.00 44.55 C ATOM 1899 OE1 GLN A 121 12.945 1.519 24.996 1.00 52.23 O ATOM 1900 NE2 GLN A 121 10.931 0.741 25.615 1.00 1.41 N ATOM 0 H GLN A 121 11.259 4.531 23.459 1.00 71.42 H new ATOM 0 HA GLN A 121 12.311 2.693 21.601 1.00 62.04 H new ATOM 0 HB2 GLN A 121 10.284 2.816 23.685 1.00 43.21 H new ATOM 0 HB3 GLN A 121 9.679 1.920 22.306 1.00 43.21 H new ATOM 0 HG2 GLN A 121 10.765 0.137 23.119 1.00 32.51 H new ATOM 0 HG3 GLN A 121 12.254 0.913 22.617 1.00 32.51 H new ATOM 0 HE21 GLN A 121 10.009 0.414 25.326 1.00 1.41 H new ATOM 0 HE22 GLN A 121 11.171 0.779 26.606 1.00 1.41 H new ATOM 1909 N SER A 122 9.791 4.481 20.571 1.00 62.35 N ATOM 1910 CA SER A 122 8.974 4.816 19.412 1.00 11.34 C ATOM 1911 C SER A 122 9.843 5.014 18.173 1.00 21.40 C ATOM 1912 O SER A 122 9.406 4.764 17.049 1.00 73.42 O ATOM 1913 CB SER A 122 8.159 6.083 19.684 1.00 35.12 C ATOM 1914 OG SER A 122 7.005 6.133 18.862 1.00 74.44 O ATOM 0 H SER A 122 9.709 5.136 21.348 1.00 62.35 H new ATOM 0 HA SER A 122 8.292 3.986 19.228 1.00 11.34 H new ATOM 0 HB2 SER A 122 7.864 6.111 20.733 1.00 35.12 H new ATOM 0 HB3 SER A 122 8.777 6.963 19.503 1.00 35.12 H new ATOM 0 HG SER A 122 6.501 6.951 19.056 1.00 74.44 H new ATOM 1920 N ILE A 123 11.074 5.463 18.388 1.00 61.32 N ATOM 1921 CA ILE A 123 12.006 5.692 17.290 1.00 64.23 C ATOM 1922 C ILE A 123 12.468 4.375 16.676 1.00 22.12 C ATOM 1923 O ILE A 123 12.511 4.230 15.456 1.00 14.31 O ATOM 1924 CB ILE A 123 13.239 6.488 17.755 1.00 42.13 C ATOM 1925 CG1 ILE A 123 12.805 7.751 18.504 1.00 53.34 C ATOM 1926 CG2 ILE A 123 14.118 6.847 16.567 1.00 34.11 C ATOM 1927 CD1 ILE A 123 13.963 8.574 19.022 1.00 70.45 C ATOM 0 H ILE A 123 11.450 5.676 19.312 1.00 61.32 H new ATOM 0 HA ILE A 123 11.471 6.272 16.539 1.00 64.23 H new ATOM 0 HB ILE A 123 13.819 5.865 18.436 1.00 42.13 H new ATOM 0 HG12 ILE A 123 12.200 8.368 17.840 1.00 53.34 H new ATOM 0 HG13 ILE A 123 12.169 7.466 19.342 1.00 53.34 H new ATOM 0 HG21 ILE A 123 14.985 7.409 16.913 1.00 34.11 H new ATOM 0 HG22 ILE A 123 14.451 5.935 16.072 1.00 34.11 H new ATOM 0 HG23 ILE A 123 13.549 7.454 15.863 1.00 34.11 H new ATOM 0 HD11 ILE A 123 13.581 9.453 19.541 1.00 70.45 H new ATOM 0 HD12 ILE A 123 14.556 7.974 19.712 1.00 70.45 H new ATOM 0 HD13 ILE A 123 14.588 8.889 18.186 1.00 70.45 H new ATOM 1939 N GLU A 124 12.809 3.416 17.532 1.00 41.32 N ATOM 1940 CA GLU A 124 13.266 2.110 17.073 1.00 42.31 C ATOM 1941 C GLU A 124 12.179 1.406 16.266 1.00 4.03 C ATOM 1942 O GLU A 124 12.451 0.816 15.220 1.00 62.23 O ATOM 1943 CB GLU A 124 13.677 1.241 18.263 1.00 45.32 C ATOM 1944 CG GLU A 124 14.405 -0.031 17.866 1.00 73.13 C ATOM 1945 CD GLU A 124 14.302 -1.117 18.920 1.00 43.32 C ATOM 1946 OE1 GLU A 124 14.054 -0.778 20.096 1.00 3.01 O ATOM 1947 OE2 GLU A 124 14.470 -2.303 18.569 1.00 75.35 O ATOM 0 H GLU A 124 12.777 3.519 18.546 1.00 41.32 H new ATOM 0 HA GLU A 124 14.132 2.263 16.428 1.00 42.31 H new ATOM 0 HB2 GLU A 124 14.318 1.825 18.924 1.00 45.32 H new ATOM 0 HB3 GLU A 124 12.787 0.977 18.834 1.00 45.32 H new ATOM 0 HG2 GLU A 124 13.995 -0.402 16.927 1.00 73.13 H new ATOM 0 HG3 GLU A 124 15.456 0.197 17.687 1.00 73.13 H new ATOM 1954 N ARG A 125 10.947 1.472 16.760 1.00 62.14 N ATOM 1955 CA ARG A 125 9.819 0.840 16.088 1.00 54.31 C ATOM 1956 C ARG A 125 9.709 1.321 14.643 1.00 5.24 C ATOM 1957 O ARG A 125 9.262 0.582 13.764 1.00 70.25 O ATOM 1958 CB ARG A 125 8.518 1.138 16.836 1.00 74.00 C ATOM 1959 CG ARG A 125 8.256 0.195 18.000 1.00 54.42 C ATOM 1960 CD ARG A 125 6.767 0.031 18.258 1.00 0.24 C ATOM 1961 NE ARG A 125 6.339 -1.360 18.136 1.00 51.41 N ATOM 1962 CZ ARG A 125 5.072 -1.750 18.219 1.00 14.41 C ATOM 1963 NH1 ARG A 125 4.113 -0.858 18.422 1.00 55.51 N ATOM 1964 NH2 ARG A 125 4.763 -3.035 18.097 1.00 73.13 N ATOM 0 H ARG A 125 10.705 1.957 17.624 1.00 62.14 H new ATOM 0 HA ARG A 125 9.988 -0.237 16.084 1.00 54.31 H new ATOM 0 HB2 ARG A 125 8.549 2.162 17.209 1.00 74.00 H new ATOM 0 HB3 ARG A 125 7.684 1.079 16.136 1.00 74.00 H new ATOM 0 HG2 ARG A 125 8.699 -0.778 17.789 1.00 54.42 H new ATOM 0 HG3 ARG A 125 8.742 0.578 18.897 1.00 54.42 H new ATOM 0 HD2 ARG A 125 6.530 0.397 19.257 1.00 0.24 H new ATOM 0 HD3 ARG A 125 6.207 0.645 17.553 1.00 0.24 H new ATOM 0 HE ARG A 125 7.053 -2.071 17.978 1.00 51.41 H new ATOM 0 HH11 ARG A 125 4.347 0.130 18.515 1.00 55.51 H new ATOM 0 HH12 ARG A 125 3.141 -1.160 18.485 1.00 55.51 H new ATOM 0 HH21 ARG A 125 5.499 -3.724 17.939 1.00 73.13 H new ATOM 0 HH22 ARG A 125 3.790 -3.334 18.161 1.00 73.13 H new ATOM 1978 N LEU A 126 10.117 2.563 14.406 1.00 34.31 N ATOM 1979 CA LEU A 126 10.063 3.143 13.068 1.00 75.54 C ATOM 1980 C LEU A 126 11.339 2.836 12.291 1.00 72.11 C ATOM 1981 O LEU A 126 11.295 2.231 11.218 1.00 71.14 O ATOM 1982 CB LEU A 126 9.857 4.656 13.155 1.00 71.54 C ATOM 1983 CG LEU A 126 8.497 5.119 13.677 1.00 10.15 C ATOM 1984 CD1 LEU A 126 8.636 6.416 14.457 1.00 75.23 C ATOM 1985 CD2 LEU A 126 7.515 5.289 12.528 1.00 2.35 C ATOM 0 H LEU A 126 10.488 3.187 15.122 1.00 34.31 H new ATOM 0 HA LEU A 126 9.221 2.698 12.539 1.00 75.54 H new ATOM 0 HB2 LEU A 126 10.632 5.072 13.799 1.00 71.54 H new ATOM 0 HB3 LEU A 126 10.006 5.081 12.162 1.00 71.54 H new ATOM 0 HG LEU A 126 8.110 4.355 14.351 1.00 10.15 H new ATOM 0 HD11 LEU A 126 7.657 6.729 14.820 1.00 75.23 H new ATOM 0 HD12 LEU A 126 9.305 6.261 15.304 1.00 75.23 H new ATOM 0 HD13 LEU A 126 9.046 7.189 13.807 1.00 75.23 H new ATOM 0 HD21 LEU A 126 6.552 5.619 12.918 1.00 2.35 H new ATOM 0 HD22 LEU A 126 7.898 6.033 11.829 1.00 2.35 H new ATOM 0 HD23 LEU A 126 7.390 4.337 12.012 1.00 2.35 H new ATOM 1997 N LEU A 127 12.475 3.254 12.839 1.00 51.43 N ATOM 1998 CA LEU A 127 13.764 3.022 12.198 1.00 75.32 C ATOM 1999 C LEU A 127 13.957 1.543 11.880 1.00 20.04 C ATOM 2000 O LEU A 127 14.046 1.154 10.716 1.00 12.15 O ATOM 2001 CB LEU A 127 14.900 3.513 13.099 1.00 13.50 C ATOM 2002 CG LEU A 127 15.413 4.927 12.821 1.00 21.30 C ATOM 2003 CD1 LEU A 127 16.059 5.001 11.446 1.00 20.33 C ATOM 2004 CD2 LEU A 127 14.280 5.937 12.935 1.00 72.03 C ATOM 0 H LEU A 127 12.529 3.755 13.726 1.00 51.43 H new ATOM 0 HA LEU A 127 13.782 3.581 11.263 1.00 75.32 H new ATOM 0 HB2 LEU A 127 14.562 3.468 14.134 1.00 13.50 H new ATOM 0 HB3 LEU A 127 15.736 2.820 13.006 1.00 13.50 H new ATOM 0 HG LEU A 127 16.168 5.172 13.568 1.00 21.30 H new ATOM 0 HD11 LEU A 127 16.418 6.015 11.267 1.00 20.33 H new ATOM 0 HD12 LEU A 127 16.897 4.306 11.400 1.00 20.33 H new ATOM 0 HD13 LEU A 127 15.326 4.736 10.685 1.00 20.33 H new ATOM 0 HD21 LEU A 127 14.663 6.938 12.734 1.00 72.03 H new ATOM 0 HD22 LEU A 127 13.502 5.694 12.211 1.00 72.03 H new ATOM 0 HD23 LEU A 127 13.863 5.904 13.941 1.00 72.03 H new