USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 900 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 34 GLN : amide:sc= -0.245 K(o=0.25,f=-2.1) USER MOD Set 1.2: A 105 THR OG1 : rot 132:sc= 0.499 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.192 X(o=-0.19,f=-0.019) USER MOD Single : A 19 THR OG1 : rot 76:sc= 1.06 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) USER MOD Single : A 28 GLN : amide:sc= -0.431 K(o=-0.43,f=-1.3) USER MOD Single : A 29 SER OG : rot 100:sc= -1.13 USER MOD Single : A 30 CYS SG : rot -18:sc= 0.606 USER MOD Single : A 31 ASN : amide:sc=-0.00516 X(o=-0.0052,f=0) 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+ 144:sc= -1.54! (180deg=-3.27!) USER MOD Single : A 40 ASN : amide:sc= -0.151 K(o=-0.15,f=-1) USER MOD Single : A 43 THR OG1 : rot -69:sc= 1.25 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -58:sc= 0.961 USER MOD Single : A 47 ASN : amide:sc= -0.059 X(o=-0.059,f=-0.37) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 178:sc= -0.958 (180deg=-1.01) USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot 115:sc= 1.25 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 CYS SG : rot 170:sc= -0.0545 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 CYS SG : rot -15:sc= -0.823! USER MOD Single : A 103 SER OG : rot 180:sc= -0.275 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -140:sc= 0.997 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 GLN : amide:sc= -0.0144 K(o=-0.014,f=-1.3) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 SER OG : rot 71:sc= 1.18 USER MOD Single : A 120 GLN : amide:sc= -0.194 X(o=-0.19,f=0.1) USER MOD Single : A 121 GLN : amide:sc= 0.246 X(o=0.25,f=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N ALA A 10 11.361 14.368 5.714 1.00 3.23 N ATOM 136 CA ALA A 10 10.493 14.625 6.856 1.00 42.10 C ATOM 137 C ALA A 10 9.802 13.347 7.318 1.00 52.25 C ATOM 138 O ALA A 10 8.717 13.392 7.899 1.00 53.31 O ATOM 139 CB ALA A 10 9.461 15.688 6.506 1.00 0.41 C ATOM 0 HA ALA A 10 11.111 14.990 7.676 1.00 42.10 H new ATOM 0 HB1 ALA A 10 8.819 15.870 7.368 1.00 0.41 H new ATOM 0 HB2 ALA A 10 9.969 16.612 6.231 1.00 0.41 H new ATOM 0 HB3 ALA A 10 8.854 15.344 5.668 1.00 0.41 H new ATOM 145 N TYR A 11 10.436 12.210 7.056 1.00 75.12 N ATOM 146 CA TYR A 11 9.880 10.918 7.443 1.00 40.43 C ATOM 147 C TYR A 11 10.882 10.120 8.272 1.00 73.33 C ATOM 148 O TYR A 11 12.087 10.372 8.247 1.00 41.31 O ATOM 149 CB TYR A 11 9.477 10.120 6.201 1.00 14.32 C ATOM 150 CG TYR A 11 7.985 10.078 5.966 1.00 51.34 C ATOM 151 CD1 TYR A 11 7.244 11.249 5.867 1.00 35.20 C ATOM 152 CD2 TYR A 11 7.314 8.866 5.844 1.00 22.13 C ATOM 153 CE1 TYR A 11 5.879 11.215 5.653 1.00 30.23 C ATOM 154 CE2 TYR A 11 5.951 8.823 5.628 1.00 44.34 C ATOM 155 CZ TYR A 11 5.237 10.000 5.534 1.00 15.54 C ATOM 156 OH TYR A 11 3.878 9.961 5.320 1.00 5.05 O ATOM 0 H TYR A 11 11.335 12.156 6.577 1.00 75.12 H new ATOM 0 HA TYR A 11 8.995 11.100 8.053 1.00 40.43 H new ATOM 0 HB2 TYR A 11 9.962 10.555 5.327 1.00 14.32 H new ATOM 0 HB3 TYR A 11 9.850 9.100 6.298 1.00 14.32 H new ATOM 0 HD1 TYR A 11 7.743 12.202 5.959 1.00 35.20 H new ATOM 0 HD2 TYR A 11 7.869 7.942 5.920 1.00 22.13 H new ATOM 0 HE1 TYR A 11 5.318 12.135 5.579 1.00 30.23 H new ATOM 0 HE2 TYR A 11 5.446 7.873 5.533 1.00 44.34 H new ATOM 0 HH TYR A 11 3.583 9.028 5.259 1.00 5.05 H new ATOM 166 N PRO A 12 10.373 9.133 9.023 1.00 32.10 N ATOM 167 CA PRO A 12 8.941 8.824 9.060 1.00 61.51 C ATOM 168 C PRO A 12 8.132 9.908 9.764 1.00 72.22 C ATOM 169 O PRO A 12 8.673 10.691 10.546 1.00 13.20 O ATOM 170 CB PRO A 12 8.881 7.514 9.850 1.00 41.52 C ATOM 171 CG PRO A 12 10.106 7.526 10.697 1.00 34.32 C ATOM 172 CD PRO A 12 11.157 8.241 9.895 1.00 21.15 C ATOM 0 HA PRO A 12 8.513 8.755 8.060 1.00 61.51 H new ATOM 0 HB2 PRO A 12 7.979 7.460 10.459 1.00 41.52 H new ATOM 0 HB3 PRO A 12 8.868 6.651 9.185 1.00 41.52 H new ATOM 0 HG2 PRO A 12 9.922 8.037 11.642 1.00 34.32 H new ATOM 0 HG3 PRO A 12 10.423 6.512 10.939 1.00 34.32 H new ATOM 0 HD2 PRO A 12 11.838 8.802 10.535 1.00 21.15 H new ATOM 0 HD3 PRO A 12 11.764 7.545 9.316 1.00 21.15 H new ATOM 180 N LEU A 13 6.835 9.949 9.481 1.00 53.32 N ATOM 181 CA LEU A 13 5.950 10.938 10.088 1.00 4.45 C ATOM 182 C LEU A 13 4.922 10.267 10.994 1.00 71.43 C ATOM 183 O LEU A 13 4.104 9.470 10.535 1.00 20.23 O ATOM 184 CB LEU A 13 5.239 11.749 9.003 1.00 5.23 C ATOM 185 CG LEU A 13 4.271 12.825 9.496 1.00 32.14 C ATOM 186 CD1 LEU A 13 5.026 14.091 9.871 1.00 22.11 C ATOM 187 CD2 LEU A 13 3.220 13.122 8.437 1.00 70.12 C ATOM 0 H LEU A 13 6.372 9.309 8.835 1.00 53.32 H new ATOM 0 HA LEU A 13 6.558 11.609 10.695 1.00 4.45 H new ATOM 0 HB2 LEU A 13 5.995 12.227 8.380 1.00 5.23 H new ATOM 0 HB3 LEU A 13 4.689 11.059 8.363 1.00 5.23 H new ATOM 0 HG LEU A 13 3.765 12.451 10.386 1.00 32.14 H new ATOM 0 HD11 LEU A 13 4.321 14.845 10.220 1.00 22.11 H new ATOM 0 HD12 LEU A 13 5.740 13.868 10.664 1.00 22.11 H new ATOM 0 HD13 LEU A 13 5.559 14.468 8.999 1.00 22.11 H new ATOM 0 HD21 LEU A 13 2.540 13.890 8.805 1.00 70.12 H new ATOM 0 HD22 LEU A 13 3.708 13.475 7.529 1.00 70.12 H new ATOM 0 HD23 LEU A 13 2.658 12.214 8.218 1.00 70.12 H new ATOM 199 N ALA A 14 4.969 10.597 12.279 1.00 10.50 N ATOM 200 CA ALA A 14 4.039 10.029 13.248 1.00 13.11 C ATOM 201 C ALA A 14 2.684 10.724 13.180 1.00 51.04 C ATOM 202 O ALA A 14 2.596 11.948 13.280 1.00 13.12 O ATOM 203 CB ALA A 14 4.614 10.128 14.653 1.00 2.00 C ATOM 0 H ALA A 14 5.641 11.255 12.674 1.00 10.50 H new ATOM 0 HA ALA A 14 3.893 8.978 13.000 1.00 13.11 H new ATOM 0 HB1 ALA A 14 3.909 9.700 15.366 1.00 2.00 H new ATOM 0 HB2 ALA A 14 5.555 9.580 14.700 1.00 2.00 H new ATOM 0 HB3 ALA A 14 4.790 11.175 14.901 1.00 2.00 H new ATOM 209 N ASP A 15 1.627 9.936 13.007 1.00 2.54 N ATOM 210 CA ASP A 15 0.276 10.475 12.925 1.00 42.42 C ATOM 211 C ASP A 15 -0.030 11.360 14.130 1.00 51.13 C ATOM 212 O ASP A 15 0.633 11.270 15.163 1.00 24.12 O ATOM 213 CB ASP A 15 -0.745 9.340 12.839 1.00 51.14 C ATOM 214 CG ASP A 15 -0.586 8.331 13.959 1.00 11.52 C ATOM 215 OD1 ASP A 15 0.013 8.687 14.996 1.00 75.01 O ATOM 216 OD2 ASP A 15 -1.058 7.186 13.799 1.00 53.31 O ATOM 0 H ASP A 15 1.682 8.921 12.921 1.00 2.54 H new ATOM 0 HA ASP A 15 0.208 11.083 12.023 1.00 42.42 H new ATOM 0 HB2 ASP A 15 -1.751 9.758 12.871 1.00 51.14 H new ATOM 0 HB3 ASP A 15 -0.640 8.833 11.880 1.00 51.14 H new ATOM 221 N ALA A 16 -1.038 12.215 13.989 1.00 12.02 N ATOM 222 CA ALA A 16 -1.432 13.115 15.066 1.00 23.41 C ATOM 223 C ALA A 16 -1.849 12.336 16.309 1.00 22.23 C ATOM 224 O ALA A 16 -1.768 12.842 17.428 1.00 5.45 O ATOM 225 CB ALA A 16 -2.563 14.024 14.607 1.00 4.12 C ATOM 0 H ALA A 16 -1.596 12.303 13.140 1.00 12.02 H new ATOM 0 HA ALA A 16 -0.570 13.729 15.326 1.00 23.41 H new ATOM 0 HB1 ALA A 16 -2.847 14.691 15.421 1.00 4.12 H new ATOM 0 HB2 ALA A 16 -2.231 14.615 13.753 1.00 4.12 H new ATOM 0 HB3 ALA A 16 -3.422 13.418 14.317 1.00 4.12 H new ATOM 231 N HIS A 17 -2.297 11.101 16.105 1.00 62.50 N ATOM 232 CA HIS A 17 -2.727 10.251 17.209 1.00 24.41 C ATOM 233 C HIS A 17 -1.576 9.996 18.178 1.00 31.30 C ATOM 234 O HIS A 17 -1.742 10.095 19.395 1.00 24.11 O ATOM 235 CB HIS A 17 -3.267 8.923 16.678 1.00 14.33 C ATOM 236 CG HIS A 17 -4.466 8.424 17.423 1.00 34.01 C ATOM 237 ND1 HIS A 17 -4.643 7.098 17.763 1.00 25.02 N ATOM 238 CD2 HIS A 17 -5.552 9.080 17.895 1.00 34.54 C ATOM 239 CE1 HIS A 17 -5.786 6.962 18.410 1.00 20.11 C ATOM 240 NE2 HIS A 17 -6.357 8.149 18.504 1.00 63.44 N ATOM 0 H HIS A 17 -2.372 10.667 15.185 1.00 62.50 H new ATOM 0 HA HIS A 17 -3.522 10.768 17.746 1.00 24.41 H new ATOM 0 HB2 HIS A 17 -3.526 9.040 15.626 1.00 14.33 H new ATOM 0 HB3 HIS A 17 -2.478 8.172 16.731 1.00 14.33 H new ATOM 0 HD2 HIS A 17 -5.749 10.138 17.809 1.00 34.54 H new ATOM 0 HE1 HIS A 17 -6.186 6.036 18.797 1.00 20.11 H new ATOM 0 HE2 HIS A 17 -7.251 8.343 18.956 1.00 63.44 H new ATOM 248 N LEU A 18 -0.411 9.667 17.631 1.00 54.41 N ATOM 249 CA LEU A 18 0.767 9.396 18.447 1.00 0.33 C ATOM 250 C LEU A 18 1.429 10.695 18.897 1.00 60.45 C ATOM 251 O LEU A 18 1.907 10.804 20.027 1.00 54.14 O ATOM 252 CB LEU A 18 1.769 8.545 17.666 1.00 30.33 C ATOM 253 CG LEU A 18 2.488 7.454 18.460 1.00 4.50 C ATOM 254 CD1 LEU A 18 3.242 6.521 17.525 1.00 54.03 C ATOM 255 CD2 LEU A 18 3.437 8.073 19.477 1.00 5.01 C ATOM 0 H LEU A 18 -0.257 9.582 16.626 1.00 54.41 H new ATOM 0 HA LEU A 18 0.446 8.847 19.332 1.00 0.33 H new ATOM 0 HB2 LEU A 18 1.245 8.075 16.834 1.00 30.33 H new ATOM 0 HB3 LEU A 18 2.520 9.208 17.236 1.00 30.33 H new ATOM 0 HG LEU A 18 1.740 6.870 18.997 1.00 4.50 H new ATOM 0 HD11 LEU A 18 3.747 5.751 18.109 1.00 54.03 H new ATOM 0 HD12 LEU A 18 2.540 6.052 16.836 1.00 54.03 H new ATOM 0 HD13 LEU A 18 3.980 7.091 16.960 1.00 54.03 H new ATOM 0 HD21 LEU A 18 3.940 7.282 20.033 1.00 5.01 H new ATOM 0 HD22 LEU A 18 4.179 8.681 18.959 1.00 5.01 H new ATOM 0 HD23 LEU A 18 2.872 8.699 20.168 1.00 5.01 H new ATOM 267 N THR A 19 1.450 11.681 18.006 1.00 25.04 N ATOM 268 CA THR A 19 2.051 12.973 18.310 1.00 3.43 C ATOM 269 C THR A 19 1.369 13.628 19.505 1.00 44.41 C ATOM 270 O THR A 19 2.000 14.361 20.269 1.00 62.13 O ATOM 271 CB THR A 19 1.974 13.927 17.103 1.00 42.52 C ATOM 272 OG1 THR A 19 2.353 13.237 15.908 1.00 34.53 O ATOM 273 CG2 THR A 19 2.878 15.134 17.308 1.00 32.22 C ATOM 0 H THR A 19 1.057 11.609 17.067 1.00 25.04 H new ATOM 0 HA THR A 19 3.098 12.786 18.549 1.00 3.43 H new ATOM 0 HB THR A 19 0.946 14.276 17.009 1.00 42.52 H new ATOM 0 HG1 THR A 19 1.617 12.659 15.617 1.00 34.53 H new ATOM 0 HG21 THR A 19 2.807 15.793 16.443 1.00 32.22 H new ATOM 0 HG22 THR A 19 2.567 15.674 18.202 1.00 32.22 H new ATOM 0 HG23 THR A 19 3.909 14.801 17.426 1.00 32.22 H new ATOM 281 N LYS A 20 0.077 13.360 19.665 1.00 31.43 N ATOM 282 CA LYS A 20 -0.691 13.921 20.770 1.00 43.10 C ATOM 283 C LYS A 20 -0.002 13.651 22.104 1.00 71.34 C ATOM 284 O LYS A 20 0.236 14.569 22.888 1.00 13.43 O ATOM 285 CB LYS A 20 -2.105 13.335 20.785 1.00 21.35 C ATOM 286 CG LYS A 20 -3.123 14.185 20.046 1.00 44.43 C ATOM 287 CD LYS A 20 -4.517 14.018 20.628 1.00 13.21 C ATOM 288 CE LYS A 20 -5.592 14.356 19.607 1.00 42.23 C ATOM 289 NZ LYS A 20 -6.562 15.356 20.134 1.00 71.01 N ATOM 0 H LYS A 20 -0.460 12.757 19.042 1.00 31.43 H new ATOM 0 HA LYS A 20 -0.753 15.000 20.626 1.00 43.10 H new ATOM 0 HB2 LYS A 20 -2.082 12.341 20.339 1.00 21.35 H new ATOM 0 HB3 LYS A 20 -2.428 13.213 21.819 1.00 21.35 H new ATOM 0 HG2 LYS A 20 -2.829 15.233 20.098 1.00 44.43 H new ATOM 0 HG3 LYS A 20 -3.132 13.909 18.992 1.00 44.43 H new ATOM 0 HD2 LYS A 20 -4.649 12.992 20.970 1.00 13.21 H new ATOM 0 HD3 LYS A 20 -4.627 14.662 21.501 1.00 13.21 H new ATOM 0 HE2 LYS A 20 -5.124 14.745 18.703 1.00 42.23 H new ATOM 0 HE3 LYS A 20 -6.124 13.447 19.325 1.00 42.23 H new ATOM 0 HZ1 LYS A 20 -7.279 15.560 19.409 1.00 71.01 H new ATOM 0 HZ2 LYS A 20 -7.027 14.975 20.983 1.00 71.01 H new ATOM 0 HZ3 LYS A 20 -6.058 16.232 20.379 1.00 71.01 H new ATOM 303 N LYS A 21 0.315 12.386 22.354 1.00 15.22 N ATOM 304 CA LYS A 21 0.978 11.993 23.592 1.00 13.34 C ATOM 305 C LYS A 21 2.454 12.376 23.563 1.00 3.55 C ATOM 306 O LYS A 21 3.044 12.696 24.597 1.00 61.42 O ATOM 307 CB LYS A 21 0.836 10.486 23.816 1.00 24.04 C ATOM 308 CG LYS A 21 1.322 9.648 22.646 1.00 23.23 C ATOM 309 CD LYS A 21 1.298 8.165 22.974 1.00 31.24 C ATOM 310 CE LYS A 21 2.646 7.688 23.493 1.00 54.34 C ATOM 311 NZ LYS A 21 2.508 6.510 24.393 1.00 53.33 N ATOM 0 H LYS A 21 0.123 11.614 21.715 1.00 15.22 H new ATOM 0 HA LYS A 21 0.498 12.523 24.415 1.00 13.34 H new ATOM 0 HB2 LYS A 21 1.394 10.206 24.709 1.00 24.04 H new ATOM 0 HB3 LYS A 21 -0.211 10.253 24.009 1.00 24.04 H new ATOM 0 HG2 LYS A 21 0.695 9.839 21.775 1.00 23.23 H new ATOM 0 HG3 LYS A 21 2.336 9.946 22.380 1.00 23.23 H new ATOM 0 HD2 LYS A 21 0.529 7.969 23.721 1.00 31.24 H new ATOM 0 HD3 LYS A 21 1.029 7.598 22.083 1.00 31.24 H new ATOM 0 HE2 LYS A 21 3.288 7.429 22.651 1.00 54.34 H new ATOM 0 HE3 LYS A 21 3.136 8.500 24.030 1.00 54.34 H new ATOM 0 HZ1 LYS A 21 3.448 6.215 24.726 1.00 53.33 H new ATOM 0 HZ2 LYS A 21 1.916 6.764 25.209 1.00 53.33 H new ATOM 0 HZ3 LYS A 21 2.063 5.726 23.874 1.00 53.33 H new ATOM 325 N LEU A 22 3.046 12.344 22.374 1.00 43.33 N ATOM 326 CA LEU A 22 4.454 12.690 22.210 1.00 34.04 C ATOM 327 C LEU A 22 4.731 14.100 22.719 1.00 5.22 C ATOM 328 O LEU A 22 5.741 14.346 23.380 1.00 64.21 O ATOM 329 CB LEU A 22 4.859 12.578 20.739 1.00 13.43 C ATOM 330 CG LEU A 22 6.318 12.906 20.419 1.00 33.10 C ATOM 331 CD1 LEU A 22 7.198 11.682 20.622 1.00 52.21 C ATOM 332 CD2 LEU A 22 6.446 13.426 18.995 1.00 22.00 C ATOM 0 H LEU A 22 2.573 12.082 21.509 1.00 43.33 H new ATOM 0 HA LEU A 22 5.046 11.989 22.798 1.00 34.04 H new ATOM 0 HB2 LEU A 22 4.653 11.562 20.402 1.00 13.43 H new ATOM 0 HB3 LEU A 22 4.221 13.242 20.155 1.00 13.43 H new ATOM 0 HG LEU A 22 6.654 13.686 21.102 1.00 33.10 H new ATOM 0 HD11 LEU A 22 8.232 11.935 20.389 1.00 52.21 H new ATOM 0 HD12 LEU A 22 7.129 11.352 21.659 1.00 52.21 H new ATOM 0 HD13 LEU A 22 6.864 10.880 19.964 1.00 52.21 H new ATOM 0 HD21 LEU A 22 7.491 13.655 18.784 1.00 22.00 H new ATOM 0 HD22 LEU A 22 6.092 12.667 18.297 1.00 22.00 H new ATOM 0 HD23 LEU A 22 5.847 14.330 18.882 1.00 22.00 H new ATOM 344 N LEU A 23 3.827 15.024 22.410 1.00 51.21 N ATOM 345 CA LEU A 23 3.972 16.410 22.839 1.00 63.31 C ATOM 346 C LEU A 23 4.129 16.499 24.353 1.00 42.11 C ATOM 347 O LEU A 23 4.825 17.377 24.865 1.00 60.31 O ATOM 348 CB LEU A 23 2.763 17.232 22.390 1.00 4.40 C ATOM 349 CG LEU A 23 3.071 18.499 21.590 1.00 13.42 C ATOM 350 CD1 LEU A 23 3.370 18.155 20.140 1.00 74.22 C ATOM 351 CD2 LEU A 23 1.912 19.481 21.679 1.00 32.10 C ATOM 0 H LEU A 23 2.986 14.838 21.864 1.00 51.21 H new ATOM 0 HA LEU A 23 4.872 16.815 22.376 1.00 63.31 H new ATOM 0 HB2 LEU A 23 2.119 16.593 21.786 1.00 4.40 H new ATOM 0 HB3 LEU A 23 2.193 17.515 23.275 1.00 4.40 H new ATOM 0 HG LEU A 23 3.955 18.971 22.020 1.00 13.42 H new ATOM 0 HD11 LEU A 23 3.587 19.069 19.587 1.00 74.22 H new ATOM 0 HD12 LEU A 23 4.232 17.490 20.094 1.00 74.22 H new ATOM 0 HD13 LEU A 23 2.506 17.659 19.698 1.00 74.22 H new ATOM 0 HD21 LEU A 23 2.149 20.376 21.104 1.00 32.10 H new ATOM 0 HD22 LEU A 23 1.011 19.018 21.276 1.00 32.10 H new ATOM 0 HD23 LEU A 23 1.745 19.753 22.721 1.00 32.10 H new ATOM 363 N ASP A 24 3.480 15.584 25.064 1.00 0.41 N ATOM 364 CA ASP A 24 3.550 15.557 26.521 1.00 73.42 C ATOM 365 C ASP A 24 4.996 15.447 26.994 1.00 63.55 C ATOM 366 O ASP A 24 5.364 15.999 28.032 1.00 21.20 O ATOM 367 CB ASP A 24 2.730 14.388 27.070 1.00 23.11 C ATOM 368 CG ASP A 24 2.222 14.647 28.475 1.00 72.44 C ATOM 369 OD1 ASP A 24 2.813 15.495 29.173 1.00 24.04 O ATOM 370 OD2 ASP A 24 1.230 14.001 28.876 1.00 32.33 O ATOM 0 H ASP A 24 2.900 14.851 24.656 1.00 0.41 H new ATOM 0 HA ASP A 24 3.134 16.491 26.898 1.00 73.42 H new ATOM 0 HB2 ASP A 24 1.884 14.200 26.410 1.00 23.11 H new ATOM 0 HB3 ASP A 24 3.342 13.486 27.068 1.00 23.11 H new ATOM 375 N LEU A 25 5.811 14.731 26.227 1.00 42.41 N ATOM 376 CA LEU A 25 7.217 14.548 26.568 1.00 52.11 C ATOM 377 C LEU A 25 7.902 15.891 26.796 1.00 60.02 C ATOM 378 O LEU A 25 8.778 16.016 27.652 1.00 22.23 O ATOM 379 CB LEU A 25 7.935 13.779 25.457 1.00 10.14 C ATOM 380 CG LEU A 25 8.969 12.749 25.914 1.00 61.00 C ATOM 381 CD1 LEU A 25 10.087 13.425 26.693 1.00 11.42 C ATOM 382 CD2 LEU A 25 8.309 11.667 26.755 1.00 14.12 C ATOM 0 H LEU A 25 5.522 14.268 25.365 1.00 42.41 H new ATOM 0 HA LEU A 25 7.269 13.973 27.493 1.00 52.11 H new ATOM 0 HB2 LEU A 25 7.185 13.268 24.853 1.00 10.14 H new ATOM 0 HB3 LEU A 25 8.432 14.499 24.807 1.00 10.14 H new ATOM 0 HG LEU A 25 9.402 12.280 25.030 1.00 61.00 H new ATOM 0 HD11 LEU A 25 10.813 12.677 27.010 1.00 11.42 H new ATOM 0 HD12 LEU A 25 10.579 14.162 26.058 1.00 11.42 H new ATOM 0 HD13 LEU A 25 9.671 13.921 27.570 1.00 11.42 H new ATOM 0 HD21 LEU A 25 9.060 10.943 27.071 1.00 14.12 H new ATOM 0 HD22 LEU A 25 7.848 12.119 27.633 1.00 14.12 H new ATOM 0 HD23 LEU A 25 7.545 11.162 26.164 1.00 14.12 H new ATOM 394 N VAL A 26 7.494 16.896 26.027 1.00 10.31 N ATOM 395 CA VAL A 26 8.066 18.232 26.148 1.00 51.25 C ATOM 396 C VAL A 26 7.741 18.848 27.505 1.00 32.12 C ATOM 397 O VAL A 26 8.632 19.320 28.211 1.00 42.03 O ATOM 398 CB VAL A 26 7.550 19.165 25.037 1.00 64.41 C ATOM 399 CG1 VAL A 26 8.227 20.525 25.123 1.00 13.32 C ATOM 400 CG2 VAL A 26 7.771 18.537 23.669 1.00 24.23 C ATOM 0 H VAL A 26 6.770 16.810 25.314 1.00 10.31 H new ATOM 0 HA VAL A 26 9.146 18.124 26.050 1.00 51.25 H new ATOM 0 HB VAL A 26 6.479 19.310 25.177 1.00 64.41 H new ATOM 0 HG11 VAL A 26 7.849 21.170 24.330 1.00 13.32 H new ATOM 0 HG12 VAL A 26 8.013 20.977 26.091 1.00 13.32 H new ATOM 0 HG13 VAL A 26 9.304 20.403 25.009 1.00 13.32 H new ATOM 0 HG21 VAL A 26 7.401 19.210 22.896 1.00 24.23 H new ATOM 0 HG22 VAL A 26 8.836 18.361 23.517 1.00 24.23 H new ATOM 0 HG23 VAL A 26 7.235 17.590 23.613 1.00 24.23 H new ATOM 410 N GLN A 27 6.461 18.839 27.862 1.00 52.32 N ATOM 411 CA GLN A 27 6.020 19.396 29.134 1.00 45.24 C ATOM 412 C GLN A 27 6.659 18.657 30.305 1.00 20.33 C ATOM 413 O GLN A 27 6.900 19.239 31.362 1.00 64.13 O ATOM 414 CB GLN A 27 4.495 19.328 29.244 1.00 21.31 C ATOM 415 CG GLN A 27 3.931 20.146 30.395 1.00 20.12 C ATOM 416 CD GLN A 27 2.471 20.501 30.197 1.00 54.04 C ATOM 417 OE1 GLN A 27 1.578 19.770 30.630 1.00 11.34 O ATOM 418 NE2 GLN A 27 2.217 21.627 29.541 1.00 31.43 N ATOM 0 H GLN A 27 5.712 18.452 27.288 1.00 52.32 H new ATOM 0 HA GLN A 27 6.334 20.439 29.172 1.00 45.24 H new ATOM 0 HB2 GLN A 27 4.056 19.679 28.310 1.00 21.31 H new ATOM 0 HB3 GLN A 27 4.194 18.288 29.367 1.00 21.31 H new ATOM 0 HG2 GLN A 27 4.042 19.585 31.323 1.00 20.12 H new ATOM 0 HG3 GLN A 27 4.512 21.062 30.504 1.00 20.12 H new ATOM 0 HE21 GLN A 27 2.986 22.203 29.199 1.00 31.43 H new ATOM 0 HE22 GLN A 27 1.252 21.916 29.379 1.00 31.43 H new ATOM 427 N GLN A 28 6.931 17.371 30.108 1.00 72.53 N ATOM 428 CA GLN A 28 7.542 16.552 31.148 1.00 74.10 C ATOM 429 C GLN A 28 9.025 16.877 31.297 1.00 42.15 C ATOM 430 O GLN A 28 9.583 16.784 32.390 1.00 21.51 O ATOM 431 CB GLN A 28 7.363 15.067 30.828 1.00 53.13 C ATOM 432 CG GLN A 28 5.930 14.580 30.978 1.00 63.34 C ATOM 433 CD GLN A 28 5.362 14.853 32.356 1.00 51.31 C ATOM 434 OE1 GLN A 28 4.913 15.962 32.648 1.00 63.12 O ATOM 435 NE2 GLN A 28 5.378 13.840 33.215 1.00 3.03 N ATOM 0 H GLN A 28 6.738 16.874 29.238 1.00 72.53 H new ATOM 0 HA GLN A 28 7.043 16.776 32.091 1.00 74.10 H new ATOM 0 HB2 GLN A 28 7.696 14.881 29.807 1.00 53.13 H new ATOM 0 HB3 GLN A 28 8.007 14.482 31.485 1.00 53.13 H new ATOM 0 HG2 GLN A 28 5.305 15.066 30.229 1.00 63.34 H new ATOM 0 HG3 GLN A 28 5.892 13.509 30.779 1.00 63.34 H new ATOM 0 HE21 GLN A 28 5.759 12.937 32.932 1.00 3.03 H new ATOM 0 HE22 GLN A 28 5.009 13.965 34.158 1.00 3.03 H new ATOM 444 N SER A 29 9.656 17.257 30.190 1.00 44.24 N ATOM 445 CA SER A 29 11.074 17.593 30.197 1.00 12.14 C ATOM 446 C SER A 29 11.322 18.894 30.954 1.00 34.42 C ATOM 447 O SER A 29 12.164 18.952 31.852 1.00 71.03 O ATOM 448 CB SER A 29 11.597 17.715 28.764 1.00 31.12 C ATOM 449 OG SER A 29 12.401 16.601 28.417 1.00 11.22 O ATOM 0 H SER A 29 9.207 17.340 29.278 1.00 44.24 H new ATOM 0 HA SER A 29 11.609 16.791 30.705 1.00 12.14 H new ATOM 0 HB2 SER A 29 10.758 17.791 28.073 1.00 31.12 H new ATOM 0 HB3 SER A 29 12.178 18.632 28.662 1.00 31.12 H new ATOM 0 HG SER A 29 11.873 15.969 27.886 1.00 11.22 H new ATOM 455 N CYS A 30 10.584 19.934 30.586 1.00 70.11 N ATOM 456 CA CYS A 30 10.723 21.236 31.230 1.00 71.24 C ATOM 457 C CYS A 30 10.319 21.163 32.698 1.00 73.13 C ATOM 458 O CYS A 30 10.797 21.940 33.523 1.00 34.22 O ATOM 459 CB CYS A 30 9.871 22.280 30.505 1.00 72.53 C ATOM 460 SG CYS A 30 8.089 22.016 30.662 1.00 61.11 S ATOM 0 H CYS A 30 9.883 19.902 29.845 1.00 70.11 H new ATOM 0 HA CYS A 30 11.771 21.531 31.175 1.00 71.24 H new ATOM 0 HB2 CYS A 30 10.117 23.268 30.894 1.00 72.53 H new ATOM 0 HB3 CYS A 30 10.136 22.279 29.448 1.00 72.53 H new ATOM 0 HG CYS A 30 7.863 20.793 31.040 1.00 61.11 H new ATOM 466 N ASN A 31 9.434 20.224 33.016 1.00 13.30 N ATOM 467 CA ASN A 31 8.963 20.050 34.387 1.00 31.41 C ATOM 468 C ASN A 31 10.122 19.724 35.323 1.00 34.32 C ATOM 469 O ASN A 31 10.098 20.072 36.504 1.00 63.43 O ATOM 470 CB ASN A 31 7.914 18.939 34.450 1.00 61.45 C ATOM 471 CG ASN A 31 7.503 18.612 35.873 1.00 62.14 C ATOM 472 OD1 ASN A 31 6.687 19.313 36.473 1.00 30.54 O ATOM 473 ND2 ASN A 31 8.068 17.542 36.421 1.00 64.44 N ATOM 0 H ASN A 31 9.028 19.572 32.345 1.00 13.30 H new ATOM 0 HA ASN A 31 8.510 20.987 34.711 1.00 31.41 H new ATOM 0 HB2 ASN A 31 7.035 19.241 33.881 1.00 61.45 H new ATOM 0 HB3 ASN A 31 8.310 18.042 33.974 1.00 61.45 H new ATOM 0 HD21 ASN A 31 7.831 17.272 37.376 1.00 64.44 H new ATOM 0 HD22 ASN A 31 8.739 16.990 35.887 1.00 64.44 H new ATOM 480 N TYR A 32 11.136 19.053 34.788 1.00 2.13 N ATOM 481 CA TYR A 32 12.305 18.678 35.576 1.00 62.03 C ATOM 482 C TYR A 32 13.443 19.673 35.371 1.00 23.02 C ATOM 483 O TYR A 32 14.616 19.333 35.523 1.00 44.31 O ATOM 484 CB TYR A 32 12.769 17.270 35.198 1.00 4.34 C ATOM 485 CG TYR A 32 12.937 16.349 36.386 1.00 33.42 C ATOM 486 CD1 TYR A 32 11.832 15.859 37.071 1.00 21.42 C ATOM 487 CD2 TYR A 32 14.200 15.969 36.822 1.00 41.52 C ATOM 488 CE1 TYR A 32 11.980 15.018 38.156 1.00 15.32 C ATOM 489 CE2 TYR A 32 14.357 15.128 37.907 1.00 31.52 C ATOM 490 CZ TYR A 32 13.245 14.655 38.570 1.00 55.24 C ATOM 491 OH TYR A 32 13.397 13.816 39.651 1.00 43.23 O ATOM 0 H TYR A 32 11.172 18.758 33.812 1.00 2.13 H new ATOM 0 HA TYR A 32 12.022 18.691 36.629 1.00 62.03 H new ATOM 0 HB2 TYR A 32 12.048 16.832 34.508 1.00 4.34 H new ATOM 0 HB3 TYR A 32 13.718 17.340 34.666 1.00 4.34 H new ATOM 0 HD1 TYR A 32 10.840 16.141 36.749 1.00 21.42 H new ATOM 0 HD2 TYR A 32 15.074 16.337 36.304 1.00 41.52 H new ATOM 0 HE1 TYR A 32 11.110 14.646 38.678 1.00 15.32 H new ATOM 0 HE2 TYR A 32 15.346 14.843 38.234 1.00 31.52 H new ATOM 0 HH TYR A 32 14.351 13.658 39.811 1.00 43.23 H new ATOM 501 N LYS A 33 13.086 20.906 35.025 1.00 34.04 N ATOM 502 CA LYS A 33 14.076 21.954 34.801 1.00 72.11 C ATOM 503 C LYS A 33 15.090 21.527 33.744 1.00 25.40 C ATOM 504 O LYS A 33 16.273 21.849 33.842 1.00 3.33 O ATOM 505 CB LYS A 33 14.796 22.291 36.108 1.00 21.43 C ATOM 506 CG LYS A 33 13.856 22.602 37.258 1.00 43.45 C ATOM 507 CD LYS A 33 14.590 23.244 38.423 1.00 11.05 C ATOM 508 CE LYS A 33 15.178 22.196 39.357 1.00 5.21 C ATOM 509 NZ LYS A 33 14.157 21.659 40.300 1.00 22.12 N ATOM 0 H LYS A 33 12.119 21.204 34.894 1.00 34.04 H new ATOM 0 HA LYS A 33 13.555 22.841 34.442 1.00 72.11 H new ATOM 0 HB2 LYS A 33 15.434 21.453 36.388 1.00 21.43 H new ATOM 0 HB3 LYS A 33 15.450 23.147 35.942 1.00 21.43 H new ATOM 0 HG2 LYS A 33 13.066 23.269 36.913 1.00 43.45 H new ATOM 0 HG3 LYS A 33 13.374 21.684 37.593 1.00 43.45 H new ATOM 0 HD2 LYS A 33 15.387 23.884 38.044 1.00 11.05 H new ATOM 0 HD3 LYS A 33 13.904 23.884 38.978 1.00 11.05 H new ATOM 0 HE2 LYS A 33 15.595 21.378 38.769 1.00 5.21 H new ATOM 0 HE3 LYS A 33 16.000 22.634 39.923 1.00 5.21 H new ATOM 0 HZ1 LYS A 33 14.596 20.948 40.919 1.00 22.12 H new ATOM 0 HZ2 LYS A 33 13.777 22.435 40.879 1.00 22.12 H new ATOM 0 HZ3 LYS A 33 13.384 21.218 39.761 1.00 22.12 H new ATOM 523 N GLN A 34 14.617 20.804 32.734 1.00 64.14 N ATOM 524 CA GLN A 34 15.483 20.336 31.659 1.00 10.23 C ATOM 525 C GLN A 34 14.821 20.535 30.300 1.00 5.03 C ATOM 526 O GLN A 34 13.643 20.225 30.119 1.00 13.14 O ATOM 527 CB GLN A 34 15.828 18.859 31.859 1.00 2.42 C ATOM 528 CG GLN A 34 17.289 18.617 32.201 1.00 15.15 C ATOM 529 CD GLN A 34 17.732 17.199 31.896 1.00 21.21 C ATOM 530 OE1 GLN A 34 18.797 16.980 31.317 1.00 14.11 O ATOM 531 NE2 GLN A 34 16.915 16.227 32.284 1.00 44.13 N ATOM 0 H GLN A 34 13.639 20.530 32.638 1.00 64.14 H new ATOM 0 HA GLN A 34 16.401 20.923 31.685 1.00 10.23 H new ATOM 0 HB2 GLN A 34 15.205 18.454 32.656 1.00 2.42 H new ATOM 0 HB3 GLN A 34 15.580 18.310 30.950 1.00 2.42 H new ATOM 0 HG2 GLN A 34 17.910 19.316 31.641 1.00 15.15 H new ATOM 0 HG3 GLN A 34 17.450 18.824 33.259 1.00 15.15 H new ATOM 0 HE21 GLN A 34 16.042 16.454 32.761 1.00 44.13 H new ATOM 0 HE22 GLN A 34 17.160 15.253 32.105 1.00 44.13 H new ATOM 540 N LEU A 35 15.585 21.057 29.345 1.00 40.42 N ATOM 541 CA LEU A 35 15.072 21.299 28.001 1.00 11.31 C ATOM 542 C LEU A 35 16.206 21.641 27.040 1.00 55.01 C ATOM 543 O LEU A 35 17.336 21.889 27.460 1.00 44.02 O ATOM 544 CB LEU A 35 14.046 22.433 28.023 1.00 33.51 C ATOM 545 CG LEU A 35 14.353 23.599 28.962 1.00 13.23 C ATOM 546 CD1 LEU A 35 15.614 24.325 28.518 1.00 72.34 C ATOM 547 CD2 LEU A 35 13.175 24.560 29.022 1.00 43.41 C ATOM 0 H LEU A 35 16.561 21.320 29.477 1.00 40.42 H new ATOM 0 HA LEU A 35 14.588 20.387 27.652 1.00 11.31 H new ATOM 0 HB2 LEU A 35 13.946 22.825 27.011 1.00 33.51 H new ATOM 0 HB3 LEU A 35 13.078 22.015 28.300 1.00 33.51 H new ATOM 0 HG LEU A 35 14.522 23.200 29.962 1.00 13.23 H new ATOM 0 HD11 LEU A 35 15.816 25.152 29.199 1.00 72.34 H new ATOM 0 HD12 LEU A 35 16.455 23.632 28.528 1.00 72.34 H new ATOM 0 HD13 LEU A 35 15.475 24.712 27.508 1.00 72.34 H new ATOM 0 HD21 LEU A 35 13.412 25.384 29.695 1.00 43.41 H new ATOM 0 HD22 LEU A 35 12.974 24.952 28.025 1.00 43.41 H new ATOM 0 HD23 LEU A 35 12.294 24.033 29.389 1.00 43.41 H new ATOM 559 N ARG A 36 15.895 21.653 25.748 1.00 4.21 N ATOM 560 CA ARG A 36 16.887 21.965 24.726 1.00 44.34 C ATOM 561 C ARG A 36 16.215 22.461 23.449 1.00 45.42 C ATOM 562 O ARG A 36 15.474 21.726 22.798 1.00 34.21 O ATOM 563 CB ARG A 36 17.741 20.734 24.420 1.00 14.51 C ATOM 564 CG ARG A 36 19.220 21.043 24.256 1.00 41.53 C ATOM 565 CD ARG A 36 19.848 21.473 25.574 1.00 31.52 C ATOM 566 NE ARG A 36 19.909 22.926 25.703 1.00 64.45 N ATOM 567 CZ ARG A 36 20.428 23.550 26.754 1.00 61.14 C ATOM 568 NH1 ARG A 36 20.928 22.851 27.763 1.00 23.21 N ATOM 569 NH2 ARG A 36 20.446 24.877 26.797 1.00 54.41 N ATOM 0 H ARG A 36 14.964 21.450 25.384 1.00 4.21 H new ATOM 0 HA ARG A 36 17.529 22.758 25.110 1.00 44.34 H new ATOM 0 HB2 ARG A 36 17.617 20.008 25.223 1.00 14.51 H new ATOM 0 HB3 ARG A 36 17.373 20.265 23.507 1.00 14.51 H new ATOM 0 HG2 ARG A 36 19.737 20.162 23.875 1.00 41.53 H new ATOM 0 HG3 ARG A 36 19.348 21.833 23.516 1.00 41.53 H new ATOM 0 HD2 ARG A 36 19.272 21.060 26.402 1.00 31.52 H new ATOM 0 HD3 ARG A 36 20.854 21.060 25.648 1.00 31.52 H new ATOM 0 HE ARG A 36 19.532 23.493 24.944 1.00 64.45 H new ATOM 0 HH11 ARG A 36 20.915 21.832 27.733 1.00 23.21 H new ATOM 0 HH12 ARG A 36 21.326 23.333 28.569 1.00 23.21 H new ATOM 0 HH21 ARG A 36 20.061 25.418 26.022 1.00 54.41 H new ATOM 0 HH22 ARG A 36 20.845 25.356 27.605 1.00 54.41 H new ATOM 583 N LYS A 37 16.478 23.716 23.098 1.00 22.33 N ATOM 584 CA LYS A 37 15.900 24.312 21.899 1.00 60.54 C ATOM 585 C LYS A 37 16.777 25.447 21.378 1.00 12.31 C ATOM 586 O LYS A 37 16.607 26.602 21.766 1.00 63.33 O ATOM 587 CB LYS A 37 14.492 24.834 22.193 1.00 63.51 C ATOM 588 CG LYS A 37 14.392 25.621 23.487 1.00 22.00 C ATOM 589 CD LYS A 37 13.385 26.753 23.376 1.00 41.03 C ATOM 590 CE LYS A 37 13.867 28.001 24.101 1.00 55.12 C ATOM 591 NZ LYS A 37 13.980 29.167 23.181 1.00 50.42 N ATOM 0 H LYS A 37 17.088 24.340 23.627 1.00 22.33 H new ATOM 0 HA LYS A 37 15.842 23.540 21.131 1.00 60.54 H new ATOM 0 HB2 LYS A 37 14.169 25.467 21.367 1.00 63.51 H new ATOM 0 HB3 LYS A 37 13.803 23.991 22.237 1.00 63.51 H new ATOM 0 HG2 LYS A 37 14.102 24.953 24.298 1.00 22.00 H new ATOM 0 HG3 LYS A 37 15.370 26.027 23.743 1.00 22.00 H new ATOM 0 HD2 LYS A 37 13.212 26.985 22.325 1.00 41.03 H new ATOM 0 HD3 LYS A 37 12.430 26.434 23.794 1.00 41.03 H new ATOM 0 HE2 LYS A 37 13.176 28.241 24.909 1.00 55.12 H new ATOM 0 HE3 LYS A 37 14.836 27.804 24.559 1.00 55.12 H new ATOM 0 HZ1 LYS A 37 13.707 30.035 23.685 1.00 50.42 H new ATOM 0 HZ2 LYS A 37 14.962 29.254 22.849 1.00 50.42 H new ATOM 0 HZ3 LYS A 37 13.350 29.028 22.365 1.00 50.42 H new ATOM 605 N GLY A 38 17.714 25.109 20.498 1.00 55.31 N ATOM 606 CA GLY A 38 18.602 26.111 19.939 1.00 65.04 C ATOM 607 C GLY A 38 19.445 25.569 18.801 1.00 11.41 C ATOM 608 O GLY A 38 19.850 24.407 18.820 1.00 62.11 O ATOM 0 H GLY A 38 17.874 24.159 20.162 1.00 55.31 H new ATOM 0 HA2 GLY A 38 18.013 26.955 19.580 1.00 65.04 H new ATOM 0 HA3 GLY A 38 19.257 26.490 20.724 1.00 65.04 H new ATOM 612 N ALA A 39 19.708 26.412 17.807 1.00 54.33 N ATOM 613 CA ALA A 39 20.507 26.011 16.657 1.00 4.44 C ATOM 614 C ALA A 39 21.975 25.853 17.037 1.00 4.34 C ATOM 615 O ALA A 39 22.567 24.793 16.842 1.00 40.22 O ATOM 616 CB ALA A 39 20.357 27.023 15.531 1.00 42.23 C ATOM 0 H ALA A 39 19.379 27.377 17.776 1.00 54.33 H new ATOM 0 HA ALA A 39 20.142 25.044 16.312 1.00 4.44 H new ATOM 0 HB1 ALA A 39 20.960 26.710 14.678 1.00 42.23 H new ATOM 0 HB2 ALA A 39 19.310 27.083 15.233 1.00 42.23 H new ATOM 0 HB3 ALA A 39 20.694 28.001 15.874 1.00 42.23 H new ATOM 622 N ASN A 40 22.559 26.917 17.581 1.00 51.44 N ATOM 623 CA ASN A 40 23.959 26.896 17.988 1.00 45.30 C ATOM 624 C ASN A 40 24.136 26.120 19.289 1.00 14.12 C ATOM 625 O ASN A 40 25.190 25.533 19.534 1.00 22.30 O ATOM 626 CB ASN A 40 24.482 28.324 18.158 1.00 3.44 C ATOM 627 CG ASN A 40 25.673 28.613 17.264 1.00 12.34 C ATOM 628 OD1 ASN A 40 25.782 28.077 16.162 1.00 74.33 O ATOM 629 ND2 ASN A 40 26.576 29.465 17.739 1.00 55.11 N ATOM 0 H ASN A 40 22.084 27.804 17.750 1.00 51.44 H new ATOM 0 HA ASN A 40 24.532 26.396 17.207 1.00 45.30 H new ATOM 0 HB2 ASN A 40 23.683 29.030 17.933 1.00 3.44 H new ATOM 0 HB3 ASN A 40 24.765 28.483 19.199 1.00 3.44 H new ATOM 0 HD21 ASN A 40 27.400 29.697 17.184 1.00 55.11 H new ATOM 0 HD22 ASN A 40 26.445 29.886 18.659 1.00 55.11 H new ATOM 636 N GLU A 41 23.098 26.120 20.119 1.00 23.11 N ATOM 637 CA GLU A 41 23.140 25.415 21.394 1.00 14.31 C ATOM 638 C GLU A 41 23.354 23.919 21.182 1.00 54.53 C ATOM 639 O GLU A 41 23.913 23.233 22.038 1.00 41.43 O ATOM 640 CB GLU A 41 21.845 25.650 22.175 1.00 2.24 C ATOM 641 CG GLU A 41 21.752 27.035 22.795 1.00 40.24 C ATOM 642 CD GLU A 41 20.447 27.257 23.534 1.00 72.43 C ATOM 643 OE1 GLU A 41 19.579 26.359 23.488 1.00 3.30 O ATOM 644 OE2 GLU A 41 20.292 28.328 24.156 1.00 10.41 O ATOM 0 H GLU A 41 22.218 26.600 19.931 1.00 23.11 H new ATOM 0 HA GLU A 41 23.979 25.807 21.969 1.00 14.31 H new ATOM 0 HB2 GLU A 41 20.996 25.502 21.508 1.00 2.24 H new ATOM 0 HB3 GLU A 41 21.765 24.902 22.964 1.00 2.24 H new ATOM 0 HG2 GLU A 41 22.584 27.177 23.484 1.00 40.24 H new ATOM 0 HG3 GLU A 41 21.855 27.787 22.013 1.00 40.24 H new ATOM 651 N ALA A 42 22.904 23.419 20.035 1.00 4.20 N ATOM 652 CA ALA A 42 23.047 22.006 19.710 1.00 71.04 C ATOM 653 C ALA A 42 24.510 21.579 19.749 1.00 41.23 C ATOM 654 O ALA A 42 24.821 20.410 19.984 1.00 61.12 O ATOM 655 CB ALA A 42 22.447 21.717 18.341 1.00 13.32 C ATOM 0 H ALA A 42 22.438 23.972 19.316 1.00 4.20 H new ATOM 0 HA ALA A 42 22.507 21.429 20.461 1.00 71.04 H new ATOM 0 HB1 ALA A 42 22.560 20.658 18.110 1.00 13.32 H new ATOM 0 HB2 ALA A 42 21.388 21.976 18.346 1.00 13.32 H new ATOM 0 HB3 ALA A 42 22.962 22.310 17.585 1.00 13.32 H new ATOM 661 N THR A 43 25.407 22.533 19.516 1.00 55.32 N ATOM 662 CA THR A 43 26.837 22.254 19.524 1.00 30.51 C ATOM 663 C THR A 43 27.307 21.828 20.909 1.00 33.24 C ATOM 664 O THR A 43 28.305 21.119 21.046 1.00 15.11 O ATOM 665 CB THR A 43 27.651 23.482 19.073 1.00 43.21 C ATOM 666 OG1 THR A 43 27.573 24.512 20.066 1.00 21.11 O ATOM 667 CG2 THR A 43 27.138 24.014 17.743 1.00 51.32 C ATOM 0 H THR A 43 25.168 23.505 19.320 1.00 55.32 H new ATOM 0 HA THR A 43 27.003 21.438 18.821 1.00 30.51 H new ATOM 0 HB THR A 43 28.689 23.176 18.947 1.00 43.21 H new ATOM 0 HG1 THR A 43 26.664 24.877 20.088 1.00 21.11 H new ATOM 0 HG21 THR A 43 27.728 24.881 17.446 1.00 51.32 H new ATOM 0 HG22 THR A 43 27.225 23.238 16.983 1.00 51.32 H new ATOM 0 HG23 THR A 43 26.093 24.305 17.846 1.00 51.32 H new ATOM 675 N LYS A 44 26.584 22.263 21.934 1.00 14.52 N ATOM 676 CA LYS A 44 26.926 21.924 23.311 1.00 51.55 C ATOM 677 C LYS A 44 26.442 20.521 23.662 1.00 0.22 C ATOM 678 O LYS A 44 27.177 19.729 24.253 1.00 71.03 O ATOM 679 CB LYS A 44 26.313 22.943 24.276 1.00 23.11 C ATOM 680 CG LYS A 44 26.986 24.303 24.231 1.00 25.12 C ATOM 681 CD LYS A 44 28.198 24.357 25.146 1.00 2.13 C ATOM 682 CE LYS A 44 29.496 24.353 24.354 1.00 33.13 C ATOM 683 NZ LYS A 44 30.173 25.679 24.391 1.00 73.33 N ATOM 0 H LYS A 44 25.757 22.852 21.838 1.00 14.52 H new ATOM 0 HA LYS A 44 28.012 21.949 23.406 1.00 51.55 H new ATOM 0 HB2 LYS A 44 25.255 23.062 24.042 1.00 23.11 H new ATOM 0 HB3 LYS A 44 26.372 22.551 25.291 1.00 23.11 H new ATOM 0 HG2 LYS A 44 27.291 24.525 23.208 1.00 25.12 H new ATOM 0 HG3 LYS A 44 26.273 25.073 24.525 1.00 25.12 H new ATOM 0 HD2 LYS A 44 28.150 25.255 25.763 1.00 2.13 H new ATOM 0 HD3 LYS A 44 28.182 23.503 25.824 1.00 2.13 H new ATOM 0 HE2 LYS A 44 30.165 23.593 24.757 1.00 33.13 H new ATOM 0 HE3 LYS A 44 29.289 24.080 23.319 1.00 33.13 H new ATOM 0 HZ1 LYS A 44 31.054 25.635 23.840 1.00 73.33 H new ATOM 0 HZ2 LYS A 44 29.545 26.401 23.983 1.00 73.33 H new ATOM 0 HZ3 LYS A 44 30.394 25.929 25.376 1.00 73.33 H new ATOM 697 N THR A 45 25.201 20.218 23.294 1.00 43.43 N ATOM 698 CA THR A 45 24.619 18.911 23.571 1.00 22.23 C ATOM 699 C THR A 45 25.530 17.791 23.084 1.00 34.41 C ATOM 700 O THR A 45 25.886 16.890 23.845 1.00 63.10 O ATOM 701 CB THR A 45 23.237 18.759 22.907 1.00 2.24 C ATOM 702 OG1 THR A 45 23.364 18.858 21.484 1.00 41.35 O ATOM 703 CG2 THR A 45 22.275 19.825 23.410 1.00 15.33 C ATOM 0 H THR A 45 24.579 20.861 22.803 1.00 43.43 H new ATOM 0 HA THR A 45 24.504 18.838 24.652 1.00 22.23 H new ATOM 0 HB THR A 45 22.838 17.779 23.169 1.00 2.24 H new ATOM 0 HG1 THR A 45 23.769 19.719 21.251 1.00 41.35 H new ATOM 0 HG21 THR A 45 21.306 19.698 22.927 1.00 15.33 H new ATOM 0 HG22 THR A 45 22.158 19.729 24.489 1.00 15.33 H new ATOM 0 HG23 THR A 45 22.671 20.813 23.174 1.00 15.33 H new ATOM 711 N LEU A 46 25.905 17.851 21.811 1.00 74.41 N ATOM 712 CA LEU A 46 26.776 16.840 21.220 1.00 14.55 C ATOM 713 C LEU A 46 28.106 16.765 21.966 1.00 42.12 C ATOM 714 O LEU A 46 28.728 15.706 22.041 1.00 64.33 O ATOM 715 CB LEU A 46 27.023 17.150 19.743 1.00 14.25 C ATOM 716 CG LEU A 46 28.086 18.209 19.448 1.00 13.31 C ATOM 717 CD1 LEU A 46 29.452 17.561 19.279 1.00 20.20 C ATOM 718 CD2 LEU A 46 27.714 19.007 18.208 1.00 74.42 C ATOM 0 H LEU A 46 25.620 18.589 21.168 1.00 74.41 H new ATOM 0 HA LEU A 46 26.278 15.874 21.303 1.00 14.55 H new ATOM 0 HB2 LEU A 46 27.311 16.226 19.242 1.00 14.25 H new ATOM 0 HB3 LEU A 46 26.082 17.475 19.298 1.00 14.25 H new ATOM 0 HG LEU A 46 28.134 18.894 20.294 1.00 13.31 H new ATOM 0 HD11 LEU A 46 30.196 18.330 19.070 1.00 20.20 H new ATOM 0 HD12 LEU A 46 29.721 17.035 20.195 1.00 20.20 H new ATOM 0 HD13 LEU A 46 29.419 16.853 18.451 1.00 20.20 H new ATOM 0 HD21 LEU A 46 28.482 19.756 18.013 1.00 74.42 H new ATOM 0 HD22 LEU A 46 27.637 18.336 17.353 1.00 74.42 H new ATOM 0 HD23 LEU A 46 26.756 19.502 18.368 1.00 74.42 H new ATOM 730 N ASN A 47 28.533 17.897 22.517 1.00 13.15 N ATOM 731 CA ASN A 47 29.788 17.959 23.258 1.00 42.25 C ATOM 732 C ASN A 47 29.708 17.127 24.534 1.00 74.22 C ATOM 733 O ASN A 47 30.653 16.421 24.887 1.00 12.24 O ATOM 734 CB ASN A 47 30.128 19.410 23.602 1.00 1.51 C ATOM 735 CG ASN A 47 31.609 19.706 23.460 1.00 43.35 C ATOM 736 OD1 ASN A 47 32.230 19.351 22.458 1.00 31.22 O ATOM 737 ND2 ASN A 47 32.181 20.360 24.464 1.00 14.21 N ATOM 0 H ASN A 47 28.029 18.782 22.465 1.00 13.15 H new ATOM 0 HA ASN A 47 30.576 17.548 22.627 1.00 42.25 H new ATOM 0 HB2 ASN A 47 29.563 20.077 22.951 1.00 1.51 H new ATOM 0 HB3 ASN A 47 29.814 19.621 24.624 1.00 1.51 H new ATOM 0 HD21 ASN A 47 33.174 20.588 24.424 1.00 14.21 H new ATOM 0 HD22 ASN A 47 31.627 20.635 25.275 1.00 14.21 H new ATOM 744 N ARG A 48 28.574 17.214 25.222 1.00 62.31 N ATOM 745 CA ARG A 48 28.370 16.470 26.459 1.00 30.25 C ATOM 746 C ARG A 48 28.034 15.010 26.166 1.00 5.32 C ATOM 747 O ARG A 48 28.257 14.133 26.998 1.00 31.23 O ATOM 748 CB ARG A 48 27.252 17.107 27.284 1.00 55.41 C ATOM 749 CG ARG A 48 27.698 18.324 28.078 1.00 51.41 C ATOM 750 CD ARG A 48 27.995 17.967 29.526 1.00 33.02 C ATOM 751 NE ARG A 48 28.810 18.984 30.184 1.00 0.42 N ATOM 752 CZ ARG A 48 28.328 20.145 30.616 1.00 1.25 C ATOM 753 NH1 ARG A 48 27.043 20.433 30.460 1.00 21.30 N ATOM 754 NH2 ARG A 48 29.132 21.019 31.207 1.00 25.41 N ATOM 0 H ARG A 48 27.782 17.793 24.943 1.00 62.31 H new ATOM 0 HA ARG A 48 29.297 16.503 27.031 1.00 30.25 H new ATOM 0 HB2 ARG A 48 26.440 17.397 26.617 1.00 55.41 H new ATOM 0 HB3 ARG A 48 26.850 16.363 27.971 1.00 55.41 H new ATOM 0 HG2 ARG A 48 28.588 18.753 27.618 1.00 51.41 H new ATOM 0 HG3 ARG A 48 26.921 19.088 28.043 1.00 51.41 H new ATOM 0 HD2 ARG A 48 27.058 17.846 30.069 1.00 33.02 H new ATOM 0 HD3 ARG A 48 28.511 17.008 29.564 1.00 33.02 H new ATOM 0 HE ARG A 48 29.803 18.793 30.320 1.00 0.42 H new ATOM 0 HH11 ARG A 48 26.421 19.763 30.007 1.00 21.30 H new ATOM 0 HH12 ARG A 48 26.676 21.325 30.793 1.00 21.30 H new ATOM 0 HH21 ARG A 48 30.121 20.800 31.330 1.00 25.41 H new ATOM 0 HH22 ARG A 48 28.762 21.910 31.538 1.00 25.41 H new ATOM 768 N GLY A 49 27.494 14.760 24.976 1.00 1.23 N ATOM 769 CA GLY A 49 27.135 13.407 24.596 1.00 60.11 C ATOM 770 C GLY A 49 25.992 12.856 25.424 1.00 53.25 C ATOM 771 O GLY A 49 26.030 11.704 25.859 1.00 32.24 O ATOM 0 H GLY A 49 27.299 15.470 24.270 1.00 1.23 H new ATOM 0 HA2 GLY A 49 26.857 13.391 23.542 1.00 60.11 H new ATOM 0 HA3 GLY A 49 28.005 12.759 24.706 1.00 60.11 H new ATOM 775 N ILE A 50 24.972 13.679 25.644 1.00 0.33 N ATOM 776 CA ILE A 50 23.813 13.267 26.427 1.00 33.34 C ATOM 777 C ILE A 50 22.526 13.421 25.624 1.00 40.51 C ATOM 778 O ILE A 50 21.436 13.497 26.190 1.00 73.23 O ATOM 779 CB ILE A 50 23.694 14.081 27.729 1.00 23.52 C ATOM 780 CG1 ILE A 50 24.145 15.524 27.496 1.00 21.23 C ATOM 781 CG2 ILE A 50 24.516 13.435 28.834 1.00 5.13 C ATOM 782 CD1 ILE A 50 23.347 16.242 26.429 1.00 12.03 C ATOM 0 H ILE A 50 24.925 14.635 25.291 1.00 0.33 H new ATOM 0 HA ILE A 50 23.959 12.216 26.678 1.00 33.34 H new ATOM 0 HB ILE A 50 22.649 14.092 28.040 1.00 23.52 H new ATOM 0 HG12 ILE A 50 24.065 16.077 28.432 1.00 21.23 H new ATOM 0 HG13 ILE A 50 25.198 15.526 27.214 1.00 21.23 H new ATOM 0 HG21 ILE A 50 24.422 14.022 29.748 1.00 5.13 H new ATOM 0 HG22 ILE A 50 24.153 12.423 29.013 1.00 5.13 H new ATOM 0 HG23 ILE A 50 25.563 13.397 28.534 1.00 5.13 H new ATOM 0 HD11 ILE A 50 23.722 17.259 26.317 1.00 12.03 H new ATOM 0 HD12 ILE A 50 23.447 15.712 25.482 1.00 12.03 H new ATOM 0 HD13 ILE A 50 22.297 16.272 26.719 1.00 12.03 H new ATOM 794 N SER A 51 22.660 13.464 24.302 1.00 11.00 N ATOM 795 CA SER A 51 21.507 13.610 23.422 1.00 61.51 C ATOM 796 C SER A 51 20.942 12.247 23.035 1.00 73.01 C ATOM 797 O SER A 51 21.529 11.525 22.230 1.00 3.23 O ATOM 798 CB SER A 51 21.896 14.389 22.163 1.00 41.22 C ATOM 799 OG SER A 51 20.789 15.102 21.642 1.00 71.03 O ATOM 0 H SER A 51 23.555 13.400 23.817 1.00 11.00 H new ATOM 0 HA SER A 51 20.738 14.163 23.961 1.00 61.51 H new ATOM 0 HB2 SER A 51 22.703 15.084 22.396 1.00 41.22 H new ATOM 0 HB3 SER A 51 22.277 13.700 21.409 1.00 41.22 H new ATOM 0 HG SER A 51 21.064 15.592 20.839 1.00 71.03 H new ATOM 805 N GLU A 52 19.796 11.903 23.616 1.00 14.44 N ATOM 806 CA GLU A 52 19.152 10.625 23.334 1.00 42.22 C ATOM 807 C GLU A 52 17.960 10.812 22.399 1.00 24.31 C ATOM 808 O GLU A 52 17.658 9.945 21.579 1.00 53.44 O ATOM 809 CB GLU A 52 18.695 9.961 24.634 1.00 64.24 C ATOM 810 CG GLU A 52 19.294 8.583 24.857 1.00 15.41 C ATOM 811 CD GLU A 52 18.621 7.830 25.989 1.00 23.31 C ATOM 812 OE1 GLU A 52 17.380 7.702 25.962 1.00 64.52 O ATOM 813 OE2 GLU A 52 19.338 7.369 26.902 1.00 41.31 O ATOM 0 H GLU A 52 19.296 12.490 24.283 1.00 14.44 H new ATOM 0 HA GLU A 52 19.881 9.980 22.842 1.00 42.22 H new ATOM 0 HB2 GLU A 52 18.961 10.604 25.473 1.00 64.24 H new ATOM 0 HB3 GLU A 52 17.608 9.879 24.627 1.00 64.24 H new ATOM 0 HG2 GLU A 52 19.210 8.002 23.939 1.00 15.41 H new ATOM 0 HG3 GLU A 52 20.357 8.684 25.075 1.00 15.41 H new ATOM 820 N PHE A 53 17.288 11.951 22.529 1.00 51.14 N ATOM 821 CA PHE A 53 16.128 12.253 21.698 1.00 74.23 C ATOM 822 C PHE A 53 16.394 13.466 20.811 1.00 1.53 C ATOM 823 O PHE A 53 16.985 14.453 21.253 1.00 55.03 O ATOM 824 CB PHE A 53 14.899 12.507 22.572 1.00 52.52 C ATOM 825 CG PHE A 53 13.771 11.549 22.313 1.00 43.41 C ATOM 826 CD1 PHE A 53 13.143 11.515 21.078 1.00 45.23 C ATOM 827 CD2 PHE A 53 13.338 10.683 23.304 1.00 13.13 C ATOM 828 CE1 PHE A 53 12.104 10.636 20.838 1.00 62.33 C ATOM 829 CE2 PHE A 53 12.301 9.800 23.070 1.00 44.05 C ATOM 830 CZ PHE A 53 11.683 9.776 21.835 1.00 23.31 C ATOM 0 H PHE A 53 17.526 12.680 23.201 1.00 51.14 H new ATOM 0 HA PHE A 53 15.938 11.391 21.058 1.00 74.23 H new ATOM 0 HB2 PHE A 53 15.189 12.440 23.621 1.00 52.52 H new ATOM 0 HB3 PHE A 53 14.547 13.525 22.403 1.00 52.52 H new ATOM 0 HD1 PHE A 53 13.469 12.183 20.294 1.00 45.23 H new ATOM 0 HD2 PHE A 53 13.817 10.698 24.272 1.00 13.13 H new ATOM 0 HE1 PHE A 53 11.621 10.621 19.872 1.00 62.33 H new ATOM 0 HE2 PHE A 53 11.974 9.130 23.851 1.00 44.05 H new ATOM 0 HZ PHE A 53 10.873 9.087 21.649 1.00 23.31 H new ATOM 840 N ILE A 54 15.956 13.385 19.559 1.00 15.12 N ATOM 841 CA ILE A 54 16.148 14.476 18.612 1.00 73.34 C ATOM 842 C ILE A 54 14.900 14.689 17.760 1.00 12.13 C ATOM 843 O ILE A 54 14.372 13.748 17.168 1.00 40.24 O ATOM 844 CB ILE A 54 17.349 14.213 17.685 1.00 13.32 C ATOM 845 CG1 ILE A 54 18.604 13.923 18.512 1.00 74.53 C ATOM 846 CG2 ILE A 54 17.577 15.401 16.764 1.00 30.41 C ATOM 847 CD1 ILE A 54 19.782 13.464 17.680 1.00 61.11 C ATOM 0 H ILE A 54 15.466 12.576 19.177 1.00 15.12 H new ATOM 0 HA ILE A 54 16.343 15.373 19.199 1.00 73.34 H new ATOM 0 HB ILE A 54 17.132 13.339 17.070 1.00 13.32 H new ATOM 0 HG12 ILE A 54 18.885 14.823 19.060 1.00 74.53 H new ATOM 0 HG13 ILE A 54 18.373 13.158 19.253 1.00 74.53 H new ATOM 0 HG21 ILE A 54 18.429 15.200 16.115 1.00 30.41 H new ATOM 0 HG22 ILE A 54 16.688 15.565 16.155 1.00 30.41 H new ATOM 0 HG23 ILE A 54 17.777 16.291 17.361 1.00 30.41 H new ATOM 0 HD11 ILE A 54 20.636 13.277 18.331 1.00 61.11 H new ATOM 0 HD12 ILE A 54 19.520 12.547 17.153 1.00 61.11 H new ATOM 0 HD13 ILE A 54 20.040 14.237 16.956 1.00 61.11 H new ATOM 859 N VAL A 55 14.436 15.933 17.702 1.00 51.44 N ATOM 860 CA VAL A 55 13.252 16.271 16.921 1.00 30.24 C ATOM 861 C VAL A 55 13.481 17.533 16.096 1.00 53.15 C ATOM 862 O VAL A 55 13.947 18.548 16.613 1.00 4.41 O ATOM 863 CB VAL A 55 12.023 16.477 17.825 1.00 74.31 C ATOM 864 CG1 VAL A 55 10.772 16.691 16.985 1.00 4.42 C ATOM 865 CG2 VAL A 55 11.847 15.291 18.763 1.00 45.10 C ATOM 0 H VAL A 55 14.862 16.723 18.186 1.00 51.44 H new ATOM 0 HA VAL A 55 13.063 15.432 16.252 1.00 30.24 H new ATOM 0 HB VAL A 55 12.184 17.370 18.429 1.00 74.31 H new ATOM 0 HG11 VAL A 55 9.913 16.835 17.641 1.00 4.42 H new ATOM 0 HG12 VAL A 55 10.901 17.573 16.358 1.00 4.42 H new ATOM 0 HG13 VAL A 55 10.604 15.818 16.354 1.00 4.42 H new ATOM 0 HG21 VAL A 55 10.974 15.453 19.395 1.00 45.10 H new ATOM 0 HG22 VAL A 55 11.708 14.382 18.178 1.00 45.10 H new ATOM 0 HG23 VAL A 55 12.733 15.187 19.389 1.00 45.10 H new ATOM 875 N MET A 56 13.147 17.463 14.812 1.00 73.33 N ATOM 876 CA MET A 56 13.314 18.601 13.916 1.00 42.00 C ATOM 877 C MET A 56 12.027 18.878 13.144 1.00 30.03 C ATOM 878 O MET A 56 11.401 17.961 12.615 1.00 63.14 O ATOM 879 CB MET A 56 14.464 18.344 12.939 1.00 44.22 C ATOM 880 CG MET A 56 14.416 16.971 12.292 1.00 71.25 C ATOM 881 SD MET A 56 15.572 15.808 13.042 1.00 62.53 S ATOM 882 CE MET A 56 15.676 14.559 11.762 1.00 62.13 C ATOM 0 H MET A 56 12.759 16.630 14.369 1.00 73.33 H new ATOM 0 HA MET A 56 13.550 19.477 14.521 1.00 42.00 H new ATOM 0 HB2 MET A 56 14.444 19.105 12.159 1.00 44.22 H new ATOM 0 HB3 MET A 56 15.411 18.454 13.468 1.00 44.22 H new ATOM 0 HG2 MET A 56 13.404 16.572 12.369 1.00 71.25 H new ATOM 0 HG3 MET A 56 14.641 17.066 11.230 1.00 71.25 H new ATOM 0 HE1 MET A 56 16.384 13.787 12.064 1.00 62.13 H new ATOM 0 HE2 MET A 56 14.694 14.112 11.609 1.00 62.13 H new ATOM 0 HE3 MET A 56 16.014 15.018 10.833 1.00 62.13 H new ATOM 892 N ALA A 57 11.640 20.149 13.084 1.00 35.14 N ATOM 893 CA ALA A 57 10.430 20.545 12.375 1.00 51.11 C ATOM 894 C ALA A 57 10.453 20.054 10.932 1.00 73.02 C ATOM 895 O ALA A 57 11.320 20.441 10.149 1.00 60.53 O ATOM 896 CB ALA A 57 10.266 22.057 12.417 1.00 1.13 C ATOM 0 H ALA A 57 12.147 20.921 13.518 1.00 35.14 H new ATOM 0 HA ALA A 57 9.578 20.083 12.874 1.00 51.11 H new ATOM 0 HB1 ALA A 57 9.358 22.339 11.884 1.00 1.13 H new ATOM 0 HB2 ALA A 57 10.195 22.387 13.454 1.00 1.13 H new ATOM 0 HB3 ALA A 57 11.127 22.530 11.944 1.00 1.13 H new ATOM 902 N ALA A 58 9.496 19.198 10.588 1.00 62.22 N ATOM 903 CA ALA A 58 9.406 18.656 9.237 1.00 0.51 C ATOM 904 C ALA A 58 9.277 19.770 8.205 1.00 22.25 C ATOM 905 O ALA A 58 9.648 19.599 7.043 1.00 50.51 O ATOM 906 CB ALA A 58 8.230 17.696 9.132 1.00 10.30 C ATOM 0 H ALA A 58 8.773 18.865 11.225 1.00 62.22 H new ATOM 0 HA ALA A 58 10.326 18.110 9.029 1.00 0.51 H new ATOM 0 HB1 ALA A 58 8.174 17.299 8.119 1.00 10.30 H new ATOM 0 HB2 ALA A 58 8.366 16.876 9.837 1.00 10.30 H new ATOM 0 HB3 ALA A 58 7.306 18.225 9.366 1.00 10.30 H new ATOM 912 N ASP A 59 8.749 20.911 8.635 1.00 55.13 N ATOM 913 CA ASP A 59 8.570 22.054 7.747 1.00 1.24 C ATOM 914 C ASP A 59 9.634 23.116 8.010 1.00 75.51 C ATOM 915 O ASP A 59 9.369 24.313 7.905 1.00 54.01 O ATOM 916 CB ASP A 59 7.176 22.656 7.929 1.00 15.21 C ATOM 917 CG ASP A 59 6.511 22.983 6.607 1.00 11.03 C ATOM 918 OD1 ASP A 59 6.059 22.043 5.920 1.00 45.33 O ATOM 919 OD2 ASP A 59 6.441 24.180 6.259 1.00 42.41 O ATOM 0 H ASP A 59 8.437 21.069 9.593 1.00 55.13 H new ATOM 0 HA ASP A 59 8.675 21.705 6.720 1.00 1.24 H new ATOM 0 HB2 ASP A 59 6.551 21.957 8.484 1.00 15.21 H new ATOM 0 HB3 ASP A 59 7.250 23.563 8.529 1.00 15.21 H new ATOM 924 N ALA A 60 10.839 22.669 8.351 1.00 51.24 N ATOM 925 CA ALA A 60 11.942 23.580 8.627 1.00 62.00 C ATOM 926 C ALA A 60 13.168 23.226 7.793 1.00 61.11 C ATOM 927 O ALA A 60 13.385 22.062 7.456 1.00 2.15 O ATOM 928 CB ALA A 60 12.285 23.560 10.109 1.00 21.32 C ATOM 0 H ALA A 60 11.075 21.681 8.442 1.00 51.24 H new ATOM 0 HA ALA A 60 11.627 24.587 8.352 1.00 62.00 H new ATOM 0 HB1 ALA A 60 13.111 24.245 10.301 1.00 21.32 H new ATOM 0 HB2 ALA A 60 11.415 23.869 10.688 1.00 21.32 H new ATOM 0 HB3 ALA A 60 12.575 22.551 10.402 1.00 21.32 H new ATOM 934 N GLU A 61 13.966 24.237 7.463 1.00 30.14 N ATOM 935 CA GLU A 61 15.170 24.030 6.666 1.00 40.44 C ATOM 936 C GLU A 61 16.175 25.155 6.897 1.00 54.32 C ATOM 937 O GLU A 61 15.835 26.235 7.379 1.00 41.41 O ATOM 938 CB GLU A 61 14.817 23.945 5.180 1.00 52.53 C ATOM 939 CG GLU A 61 14.801 22.525 4.639 1.00 40.24 C ATOM 940 CD GLU A 61 15.360 22.431 3.232 1.00 34.14 C ATOM 941 OE1 GLU A 61 14.965 23.253 2.380 1.00 0.25 O ATOM 942 OE2 GLU A 61 16.194 21.534 2.985 1.00 71.24 O ATOM 0 H GLU A 61 13.801 25.206 7.735 1.00 30.14 H new ATOM 0 HA GLU A 61 15.624 23.090 6.978 1.00 40.44 H new ATOM 0 HB2 GLU A 61 13.838 24.396 5.021 1.00 52.53 H new ATOM 0 HB3 GLU A 61 15.536 24.534 4.610 1.00 52.53 H new ATOM 0 HG2 GLU A 61 15.381 21.882 5.300 1.00 40.24 H new ATOM 0 HG3 GLU A 61 13.778 22.149 4.645 1.00 40.24 H new ATOM 949 N PRO A 62 17.443 24.896 6.547 1.00 31.24 N ATOM 950 CA PRO A 62 17.859 23.613 5.972 1.00 2.22 C ATOM 951 C PRO A 62 17.806 22.478 6.989 1.00 55.42 C ATOM 952 O PRO A 62 17.909 22.706 8.196 1.00 61.32 O ATOM 953 CB PRO A 62 19.303 23.871 5.535 1.00 45.52 C ATOM 954 CG PRO A 62 19.773 24.977 6.417 1.00 0.34 C ATOM 955 CD PRO A 62 18.569 25.835 6.683 1.00 41.22 C ATOM 0 HA PRO A 62 17.203 23.299 5.160 1.00 2.22 H new ATOM 0 HB2 PRO A 62 19.919 22.980 5.655 1.00 45.52 H new ATOM 0 HB3 PRO A 62 19.354 24.154 4.484 1.00 45.52 H new ATOM 0 HG2 PRO A 62 20.186 24.586 7.347 1.00 0.34 H new ATOM 0 HG3 PRO A 62 20.563 25.552 5.934 1.00 0.34 H new ATOM 0 HD2 PRO A 62 18.604 26.279 7.678 1.00 41.22 H new ATOM 0 HD3 PRO A 62 18.496 26.656 5.970 1.00 41.22 H new ATOM 963 N LEU A 63 17.645 21.256 6.496 1.00 33.34 N ATOM 964 CA LEU A 63 17.578 20.084 7.363 1.00 34.45 C ATOM 965 C LEU A 63 18.966 19.487 7.580 1.00 63.12 C ATOM 966 O LEU A 63 19.270 18.978 8.657 1.00 0.52 O ATOM 967 CB LEU A 63 16.648 19.030 6.758 1.00 51.15 C ATOM 968 CG LEU A 63 15.762 18.272 7.747 1.00 62.14 C ATOM 969 CD1 LEU A 63 16.601 17.670 8.864 1.00 44.03 C ATOM 970 CD2 LEU A 63 14.691 19.191 8.317 1.00 11.33 C ATOM 0 H LEU A 63 17.558 21.050 5.501 1.00 33.34 H new ATOM 0 HA LEU A 63 17.182 20.399 8.328 1.00 34.45 H new ATOM 0 HB2 LEU A 63 16.005 19.518 6.025 1.00 51.15 H new ATOM 0 HB3 LEU A 63 17.256 18.306 6.216 1.00 51.15 H new ATOM 0 HG LEU A 63 15.269 17.459 7.214 1.00 62.14 H new ATOM 0 HD11 LEU A 63 15.953 17.135 9.558 1.00 44.03 H new ATOM 0 HD12 LEU A 63 17.329 16.978 8.440 1.00 44.03 H new ATOM 0 HD13 LEU A 63 17.123 18.465 9.396 1.00 44.03 H new ATOM 0 HD21 LEU A 63 14.070 18.634 9.019 1.00 11.33 H new ATOM 0 HD22 LEU A 63 15.165 20.025 8.834 1.00 11.33 H new ATOM 0 HD23 LEU A 63 14.070 19.573 7.507 1.00 11.33 H new ATOM 982 N GLU A 64 19.803 19.558 6.549 1.00 43.41 N ATOM 983 CA GLU A 64 21.158 19.027 6.630 1.00 71.41 C ATOM 984 C GLU A 64 21.885 19.573 7.854 1.00 3.24 C ATOM 985 O GLU A 64 22.504 18.822 8.609 1.00 2.12 O ATOM 986 CB GLU A 64 21.942 19.372 5.362 1.00 73.34 C ATOM 987 CG GLU A 64 22.460 18.154 4.616 1.00 64.34 C ATOM 988 CD GLU A 64 23.842 18.371 4.032 1.00 24.45 C ATOM 989 OE1 GLU A 64 23.943 19.018 2.968 1.00 2.21 O ATOM 990 OE2 GLU A 64 24.824 17.895 4.640 1.00 42.52 O ATOM 0 H GLU A 64 19.566 19.977 5.650 1.00 43.41 H new ATOM 0 HA GLU A 64 21.090 17.943 6.723 1.00 71.41 H new ATOM 0 HB2 GLU A 64 21.302 19.951 4.696 1.00 73.34 H new ATOM 0 HB3 GLU A 64 22.785 20.010 5.628 1.00 73.34 H new ATOM 0 HG2 GLU A 64 22.486 17.301 5.294 1.00 64.34 H new ATOM 0 HG3 GLU A 64 21.766 17.902 3.814 1.00 64.34 H new ATOM 997 N ILE A 65 21.807 20.886 8.045 1.00 22.40 N ATOM 998 CA ILE A 65 22.457 21.534 9.177 1.00 4.50 C ATOM 999 C ILE A 65 21.840 21.083 10.497 1.00 13.30 C ATOM 1000 O ILE A 65 22.528 20.987 11.514 1.00 60.31 O ATOM 1001 CB ILE A 65 22.363 23.068 9.078 1.00 70.12 C ATOM 1002 CG1 ILE A 65 22.879 23.546 7.720 1.00 63.31 C ATOM 1003 CG2 ILE A 65 23.146 23.721 10.208 1.00 32.30 C ATOM 1004 CD1 ILE A 65 22.780 25.043 7.528 1.00 33.20 C ATOM 0 H ILE A 65 21.300 21.522 7.430 1.00 22.40 H new ATOM 0 HA ILE A 65 23.506 21.240 9.149 1.00 4.50 H new ATOM 0 HB ILE A 65 21.317 23.360 9.171 1.00 70.12 H new ATOM 0 HG12 ILE A 65 23.920 23.242 7.608 1.00 63.31 H new ATOM 0 HG13 ILE A 65 22.315 23.049 6.931 1.00 63.31 H new ATOM 0 HG21 ILE A 65 23.070 24.805 10.124 1.00 32.30 H new ATOM 0 HG22 ILE A 65 22.737 23.401 11.166 1.00 32.30 H new ATOM 0 HG23 ILE A 65 24.193 23.425 10.144 1.00 32.30 H new ATOM 0 HD11 ILE A 65 23.164 25.310 6.543 1.00 33.20 H new ATOM 0 HD12 ILE A 65 21.738 25.352 7.607 1.00 33.20 H new ATOM 0 HD13 ILE A 65 23.367 25.548 8.295 1.00 33.20 H new ATOM 1016 N ILE A 66 20.542 20.804 10.472 1.00 54.50 N ATOM 1017 CA ILE A 66 19.833 20.359 11.666 1.00 32.33 C ATOM 1018 C ILE A 66 20.242 18.942 12.051 1.00 13.11 C ATOM 1019 O ILE A 66 20.140 18.549 13.215 1.00 72.33 O ATOM 1020 CB ILE A 66 18.307 20.405 11.465 1.00 32.00 C ATOM 1021 CG1 ILE A 66 17.860 21.824 11.109 1.00 64.03 C ATOM 1022 CG2 ILE A 66 17.593 19.916 12.716 1.00 13.52 C ATOM 1023 CD1 ILE A 66 16.449 21.895 10.567 1.00 62.20 C ATOM 0 H ILE A 66 19.959 20.878 9.638 1.00 54.50 H new ATOM 0 HA ILE A 66 20.105 21.044 12.469 1.00 32.33 H new ATOM 0 HB ILE A 66 18.044 19.744 10.639 1.00 32.00 H new ATOM 0 HG12 ILE A 66 17.932 22.452 11.997 1.00 64.03 H new ATOM 0 HG13 ILE A 66 18.546 22.238 10.370 1.00 64.03 H new ATOM 0 HG21 ILE A 66 16.515 19.954 12.558 1.00 13.52 H new ATOM 0 HG22 ILE A 66 17.892 18.890 12.928 1.00 13.52 H new ATOM 0 HG23 ILE A 66 17.859 20.553 13.559 1.00 13.52 H new ATOM 0 HD11 ILE A 66 16.200 22.931 10.336 1.00 62.20 H new ATOM 0 HD12 ILE A 66 16.377 21.294 9.661 1.00 62.20 H new ATOM 0 HD13 ILE A 66 15.753 21.512 11.313 1.00 62.20 H new ATOM 1035 N LEU A 67 20.706 18.178 11.069 1.00 1.13 N ATOM 1036 CA LEU A 67 21.133 16.803 11.304 1.00 2.14 C ATOM 1037 C LEU A 67 22.640 16.733 11.534 1.00 73.52 C ATOM 1038 O LEU A 67 23.135 15.823 12.200 1.00 33.44 O ATOM 1039 CB LEU A 67 20.744 15.917 10.119 1.00 3.52 C ATOM 1040 CG LEU A 67 19.426 15.156 10.256 1.00 55.15 C ATOM 1041 CD1 LEU A 67 18.987 14.603 8.909 1.00 74.33 C ATOM 1042 CD2 LEU A 67 19.560 14.034 11.276 1.00 4.14 C ATOM 0 H LEU A 67 20.796 18.487 10.101 1.00 1.13 H new ATOM 0 HA LEU A 67 20.630 16.440 12.200 1.00 2.14 H new ATOM 0 HB2 LEU A 67 20.689 16.541 9.227 1.00 3.52 H new ATOM 0 HB3 LEU A 67 21.543 15.194 9.954 1.00 3.52 H new ATOM 0 HG LEU A 67 18.663 15.851 10.608 1.00 55.15 H new ATOM 0 HD11 LEU A 67 18.047 14.064 9.026 1.00 74.33 H new ATOM 0 HD12 LEU A 67 18.850 15.424 8.206 1.00 74.33 H new ATOM 0 HD13 LEU A 67 19.750 13.923 8.529 1.00 74.33 H new ATOM 0 HD21 LEU A 67 18.612 13.503 11.360 1.00 4.14 H new ATOM 0 HD22 LEU A 67 20.337 13.340 10.954 1.00 4.14 H new ATOM 0 HD23 LEU A 67 19.828 14.454 12.246 1.00 4.14 H new ATOM 1054 N HIS A 68 23.364 17.701 10.981 1.00 73.34 N ATOM 1055 CA HIS A 68 24.814 17.749 11.127 1.00 1.50 C ATOM 1056 C HIS A 68 25.203 18.125 12.554 1.00 13.11 C ATOM 1057 O HIS A 68 26.149 17.572 13.116 1.00 14.31 O ATOM 1058 CB HIS A 68 25.414 18.753 10.142 1.00 74.25 C ATOM 1059 CG HIS A 68 26.780 18.375 9.660 1.00 22.45 C ATOM 1060 ND1 HIS A 68 26.996 17.526 8.594 1.00 41.31 N ATOM 1061 CD2 HIS A 68 28.008 18.737 10.103 1.00 45.32 C ATOM 1062 CE1 HIS A 68 28.294 17.382 8.405 1.00 32.33 C ATOM 1063 NE2 HIS A 68 28.931 18.106 9.307 1.00 42.54 N ATOM 0 H HIS A 68 22.970 18.462 10.428 1.00 73.34 H new ATOM 0 HA HIS A 68 25.210 16.757 10.909 1.00 1.50 H new ATOM 0 HB2 HIS A 68 24.749 18.850 9.284 1.00 74.25 H new ATOM 0 HB3 HIS A 68 25.464 19.732 10.619 1.00 74.25 H new ATOM 0 HD2 HIS A 68 28.221 19.399 10.929 1.00 45.32 H new ATOM 0 HE1 HIS A 68 28.757 16.775 7.641 1.00 32.33 H new ATOM 0 HE2 HIS A 68 29.944 18.184 9.397 1.00 42.54 H new ATOM 1071 N LEU A 69 24.470 19.069 13.133 1.00 53.23 N ATOM 1072 CA LEU A 69 24.738 19.518 14.495 1.00 22.12 C ATOM 1073 C LEU A 69 24.806 18.336 15.456 1.00 42.32 C ATOM 1074 O LEU A 69 25.820 18.095 16.111 1.00 50.22 O ATOM 1075 CB LEU A 69 23.656 20.499 14.951 1.00 20.11 C ATOM 1076 CG LEU A 69 24.022 21.982 14.881 1.00 20.25 C ATOM 1077 CD1 LEU A 69 22.780 22.829 14.651 1.00 34.23 C ATOM 1078 CD2 LEU A 69 24.737 22.416 16.153 1.00 21.43 C ATOM 0 H LEU A 69 23.685 19.539 12.681 1.00 53.23 H new ATOM 0 HA LEU A 69 25.704 20.022 14.501 1.00 22.12 H new ATOM 0 HB2 LEU A 69 22.766 20.336 14.343 1.00 20.11 H new ATOM 0 HB3 LEU A 69 23.387 20.260 15.980 1.00 20.11 H new ATOM 0 HG LEU A 69 24.698 22.129 14.039 1.00 20.25 H new ATOM 0 HD11 LEU A 69 23.061 23.881 14.604 1.00 34.23 H new ATOM 0 HD12 LEU A 69 22.309 22.537 13.712 1.00 34.23 H new ATOM 0 HD13 LEU A 69 22.079 22.677 15.471 1.00 34.23 H new ATOM 0 HD21 LEU A 69 24.990 23.474 16.085 1.00 21.43 H new ATOM 0 HD22 LEU A 69 24.085 22.253 17.011 1.00 21.43 H new ATOM 0 HD23 LEU A 69 25.649 21.832 16.275 1.00 21.43 H new ATOM 1090 N PRO A 70 23.703 17.578 15.542 1.00 73.45 N ATOM 1091 CA PRO A 70 23.614 16.406 16.417 1.00 54.35 C ATOM 1092 C PRO A 70 24.487 15.253 15.934 1.00 52.12 C ATOM 1093 O PRO A 70 24.102 14.503 15.036 1.00 73.24 O ATOM 1094 CB PRO A 70 22.134 16.021 16.346 1.00 62.33 C ATOM 1095 CG PRO A 70 21.668 16.551 15.033 1.00 72.11 C ATOM 1096 CD PRO A 70 22.458 17.806 14.789 1.00 72.41 C ATOM 0 HA PRO A 70 23.964 16.624 17.426 1.00 54.35 H new ATOM 0 HB2 PRO A 70 22.002 14.941 16.406 1.00 62.33 H new ATOM 0 HB3 PRO A 70 21.571 16.457 17.171 1.00 62.33 H new ATOM 0 HG2 PRO A 70 21.834 15.824 14.238 1.00 72.11 H new ATOM 0 HG3 PRO A 70 20.599 16.761 15.054 1.00 72.11 H new ATOM 0 HD2 PRO A 70 22.653 17.958 13.727 1.00 72.41 H new ATOM 0 HD3 PRO A 70 21.929 18.690 15.146 1.00 72.41 H new ATOM 1232 N PRO A 79 17.732 6.275 16.257 1.00 32.33 N ATOM 1233 CA PRO A 79 16.330 6.468 15.877 1.00 63.13 C ATOM 1234 C PRO A 79 15.843 7.886 16.159 1.00 50.13 C ATOM 1235 O PRO A 79 16.102 8.441 17.228 1.00 53.15 O ATOM 1236 CB PRO A 79 15.582 5.462 16.755 1.00 31.52 C ATOM 1237 CG PRO A 79 16.466 5.261 17.937 1.00 13.15 C ATOM 1238 CD PRO A 79 17.875 5.395 17.428 1.00 13.01 C ATOM 0 HA PRO A 79 16.174 6.321 14.808 1.00 63.13 H new ATOM 0 HB2 PRO A 79 14.605 5.845 17.051 1.00 31.52 H new ATOM 0 HB3 PRO A 79 15.410 4.525 16.225 1.00 31.52 H new ATOM 0 HG2 PRO A 79 16.258 6.001 18.710 1.00 13.15 H new ATOM 0 HG3 PRO A 79 16.304 4.280 18.383 1.00 13.15 H new ATOM 0 HD2 PRO A 79 18.534 5.830 18.179 1.00 13.01 H new ATOM 0 HD3 PRO A 79 18.297 4.428 17.155 1.00 13.01 H new ATOM 1246 N TYR A 80 15.138 8.466 15.195 1.00 44.54 N ATOM 1247 CA TYR A 80 14.616 9.820 15.340 1.00 64.33 C ATOM 1248 C TYR A 80 13.133 9.874 14.988 1.00 72.22 C ATOM 1249 O TYR A 80 12.521 8.854 14.670 1.00 33.54 O ATOM 1250 CB TYR A 80 15.397 10.788 14.449 1.00 21.33 C ATOM 1251 CG TYR A 80 15.187 10.554 12.970 1.00 10.45 C ATOM 1252 CD1 TYR A 80 15.686 9.416 12.349 1.00 73.02 C ATOM 1253 CD2 TYR A 80 14.490 11.471 12.194 1.00 1.34 C ATOM 1254 CE1 TYR A 80 15.496 9.198 10.998 1.00 11.15 C ATOM 1255 CE2 TYR A 80 14.295 11.261 10.842 1.00 2.14 C ATOM 1256 CZ TYR A 80 14.800 10.124 10.249 1.00 32.21 C ATOM 1257 OH TYR A 80 14.609 9.910 8.904 1.00 30.43 O ATOM 0 H TYR A 80 14.915 8.021 14.305 1.00 44.54 H new ATOM 0 HA TYR A 80 14.735 10.117 16.382 1.00 64.33 H new ATOM 0 HB2 TYR A 80 15.103 11.809 14.692 1.00 21.33 H new ATOM 0 HB3 TYR A 80 16.460 10.699 14.675 1.00 21.33 H new ATOM 0 HD1 TYR A 80 16.232 8.689 12.932 1.00 73.02 H new ATOM 0 HD2 TYR A 80 14.094 12.364 12.655 1.00 1.34 H new ATOM 0 HE1 TYR A 80 15.890 8.308 10.531 1.00 11.15 H new ATOM 0 HE2 TYR A 80 13.750 11.984 10.253 1.00 2.14 H new ATOM 0 HH TYR A 80 13.652 9.799 8.723 1.00 30.43 H new ATOM 1267 N VAL A 81 12.559 11.071 15.047 1.00 45.51 N ATOM 1268 CA VAL A 81 11.148 11.260 14.735 1.00 61.44 C ATOM 1269 C VAL A 81 10.880 12.676 14.236 1.00 21.12 C ATOM 1270 O VAL A 81 11.444 13.644 14.748 1.00 55.54 O ATOM 1271 CB VAL A 81 10.259 10.983 15.960 1.00 53.42 C ATOM 1272 CG1 VAL A 81 10.550 11.984 17.068 1.00 45.23 C ATOM 1273 CG2 VAL A 81 8.788 11.018 15.571 1.00 5.41 C ATOM 0 H VAL A 81 13.051 11.926 15.308 1.00 45.51 H new ATOM 0 HA VAL A 81 10.901 10.547 13.948 1.00 61.44 H new ATOM 0 HB VAL A 81 10.488 9.985 16.335 1.00 53.42 H new ATOM 0 HG11 VAL A 81 9.912 11.773 17.926 1.00 45.23 H new ATOM 0 HG12 VAL A 81 11.596 11.904 17.365 1.00 45.23 H new ATOM 0 HG13 VAL A 81 10.351 12.993 16.708 1.00 45.23 H new ATOM 0 HG21 VAL A 81 8.174 10.820 16.450 1.00 5.41 H new ATOM 0 HG22 VAL A 81 8.541 12.001 15.170 1.00 5.41 H new ATOM 0 HG23 VAL A 81 8.594 10.258 14.814 1.00 5.41 H new ATOM 1283 N PHE A 82 10.016 12.790 13.233 1.00 70.51 N ATOM 1284 CA PHE A 82 9.673 14.089 12.664 1.00 34.42 C ATOM 1285 C PHE A 82 8.295 14.544 13.137 1.00 15.32 C ATOM 1286 O PHE A 82 7.481 13.734 13.581 1.00 65.44 O ATOM 1287 CB PHE A 82 9.703 14.023 11.135 1.00 2.41 C ATOM 1288 CG PHE A 82 10.934 14.637 10.532 1.00 2.41 C ATOM 1289 CD1 PHE A 82 11.088 16.013 10.491 1.00 65.20 C ATOM 1290 CD2 PHE A 82 11.938 13.839 10.008 1.00 53.34 C ATOM 1291 CE1 PHE A 82 12.219 16.581 9.937 1.00 21.21 C ATOM 1292 CE2 PHE A 82 13.072 14.400 9.454 1.00 61.44 C ATOM 1293 CZ PHE A 82 13.213 15.774 9.418 1.00 54.03 C ATOM 0 H PHE A 82 9.541 12.000 12.797 1.00 70.51 H new ATOM 0 HA PHE A 82 10.412 14.814 13.005 1.00 34.42 H new ATOM 0 HB2 PHE A 82 9.637 12.981 10.823 1.00 2.41 H new ATOM 0 HB3 PHE A 82 8.823 14.531 10.740 1.00 2.41 H new ATOM 0 HD1 PHE A 82 10.315 16.649 10.897 1.00 65.20 H new ATOM 0 HD2 PHE A 82 11.833 12.764 10.033 1.00 53.34 H new ATOM 0 HE1 PHE A 82 12.326 17.655 9.910 1.00 21.21 H new ATOM 0 HE2 PHE A 82 13.847 13.766 9.050 1.00 61.44 H new ATOM 0 HZ PHE A 82 14.098 16.216 8.985 1.00 54.03 H new ATOM 1303 N VAL A 83 8.043 15.845 13.040 1.00 14.21 N ATOM 1304 CA VAL A 83 6.765 16.409 13.458 1.00 14.01 C ATOM 1305 C VAL A 83 6.297 17.489 12.488 1.00 10.35 C ATOM 1306 O VAL A 83 7.101 18.270 11.981 1.00 22.45 O ATOM 1307 CB VAL A 83 6.852 17.008 14.874 1.00 5.12 C ATOM 1308 CG1 VAL A 83 6.921 15.905 15.918 1.00 74.01 C ATOM 1309 CG2 VAL A 83 8.052 17.935 14.986 1.00 5.15 C ATOM 0 H VAL A 83 8.707 16.528 12.676 1.00 14.21 H new ATOM 0 HA VAL A 83 6.044 15.591 13.462 1.00 14.01 H new ATOM 0 HB VAL A 83 5.951 17.593 15.058 1.00 5.12 H new ATOM 0 HG11 VAL A 83 6.982 16.348 16.912 1.00 74.01 H new ATOM 0 HG12 VAL A 83 6.027 15.285 15.852 1.00 74.01 H new ATOM 0 HG13 VAL A 83 7.803 15.290 15.740 1.00 74.01 H new ATOM 0 HG21 VAL A 83 8.099 18.350 15.993 1.00 5.15 H new ATOM 0 HG22 VAL A 83 8.965 17.375 14.782 1.00 5.15 H new ATOM 0 HG23 VAL A 83 7.954 18.746 14.264 1.00 5.15 H new ATOM 1319 N ARG A 84 4.993 17.526 12.238 1.00 60.51 N ATOM 1320 CA ARG A 84 4.418 18.510 11.329 1.00 23.42 C ATOM 1321 C ARG A 84 3.810 19.675 12.103 1.00 62.24 C ATOM 1322 O ARG A 84 2.634 19.999 11.935 1.00 62.51 O ATOM 1323 CB ARG A 84 3.352 17.859 10.445 1.00 74.10 C ATOM 1324 CG ARG A 84 3.219 18.503 9.075 1.00 34.32 C ATOM 1325 CD ARG A 84 2.041 19.462 9.022 1.00 31.03 C ATOM 1326 NE ARG A 84 1.621 19.739 7.651 1.00 34.22 N ATOM 1327 CZ ARG A 84 0.585 20.509 7.341 1.00 73.14 C ATOM 1328 NH1 ARG A 84 -0.135 21.076 8.300 1.00 2.21 N ATOM 1329 NH2 ARG A 84 0.265 20.712 6.069 1.00 40.42 N ATOM 0 H ARG A 84 4.315 16.886 12.652 1.00 60.51 H new ATOM 0 HA ARG A 84 5.219 18.894 10.697 1.00 23.42 H new ATOM 0 HB2 ARG A 84 3.592 16.803 10.319 1.00 74.10 H new ATOM 0 HB3 ARG A 84 2.390 17.908 10.955 1.00 74.10 H new ATOM 0 HG2 ARG A 84 4.137 19.039 8.833 1.00 34.32 H new ATOM 0 HG3 ARG A 84 3.093 17.728 8.318 1.00 34.32 H new ATOM 0 HD2 ARG A 84 1.205 19.040 9.579 1.00 31.03 H new ATOM 0 HD3 ARG A 84 2.312 20.396 9.514 1.00 31.03 H new ATOM 0 HE ARG A 84 2.153 19.318 6.890 1.00 34.22 H new ATOM 0 HH11 ARG A 84 0.107 20.921 9.279 1.00 2.21 H new ATOM 0 HH12 ARG A 84 -0.930 21.667 8.059 1.00 2.21 H new ATOM 0 HH21 ARG A 84 0.815 20.276 5.329 1.00 40.42 H new ATOM 0 HH22 ARG A 84 -0.531 21.304 5.832 1.00 40.42 H new ATOM 1343 N SER A 85 4.619 20.302 12.951 1.00 72.14 N ATOM 1344 CA SER A 85 4.159 21.429 13.754 1.00 2.12 C ATOM 1345 C SER A 85 5.339 22.166 14.380 1.00 45.54 C ATOM 1346 O SER A 85 6.055 21.619 15.219 1.00 34.32 O ATOM 1347 CB SER A 85 3.206 20.946 14.849 1.00 44.42 C ATOM 1348 OG SER A 85 2.054 21.769 14.921 1.00 74.03 O ATOM 0 H SER A 85 5.596 20.049 13.100 1.00 72.14 H new ATOM 0 HA SER A 85 3.628 22.119 13.098 1.00 2.12 H new ATOM 0 HB2 SER A 85 2.909 19.916 14.649 1.00 44.42 H new ATOM 0 HB3 SER A 85 3.720 20.949 15.810 1.00 44.42 H new ATOM 0 HG SER A 85 1.460 21.439 15.627 1.00 74.03 H new ATOM 1354 N LYS A 86 5.535 23.414 13.967 1.00 51.42 N ATOM 1355 CA LYS A 86 6.626 24.230 14.487 1.00 2.14 C ATOM 1356 C LYS A 86 6.149 25.107 15.640 1.00 71.34 C ATOM 1357 O LYS A 86 6.917 25.426 16.548 1.00 73.54 O ATOM 1358 CB LYS A 86 7.210 25.105 13.375 1.00 52.13 C ATOM 1359 CG LYS A 86 6.251 26.171 12.873 1.00 20.05 C ATOM 1360 CD LYS A 86 6.638 26.660 11.487 1.00 43.33 C ATOM 1361 CE LYS A 86 6.294 28.130 11.300 1.00 21.45 C ATOM 1362 NZ LYS A 86 4.823 28.355 11.251 1.00 15.31 N ATOM 0 H LYS A 86 4.952 23.882 13.273 1.00 51.42 H new ATOM 0 HA LYS A 86 7.401 23.560 14.860 1.00 2.14 H new ATOM 0 HB2 LYS A 86 8.116 25.587 13.742 1.00 52.13 H new ATOM 0 HB3 LYS A 86 7.503 24.469 12.540 1.00 52.13 H new ATOM 0 HG2 LYS A 86 5.238 25.768 12.848 1.00 20.05 H new ATOM 0 HG3 LYS A 86 6.243 27.011 13.567 1.00 20.05 H new ATOM 0 HD2 LYS A 86 7.707 26.513 11.333 1.00 43.33 H new ATOM 0 HD3 LYS A 86 6.122 26.065 10.733 1.00 43.33 H new ATOM 0 HE2 LYS A 86 6.723 28.710 12.117 1.00 21.45 H new ATOM 0 HE3 LYS A 86 6.748 28.494 10.378 1.00 21.45 H new ATOM 0 HZ1 LYS A 86 4.631 29.369 11.123 1.00 15.31 H new ATOM 0 HZ2 LYS A 86 4.417 27.822 10.456 1.00 15.31 H new ATOM 0 HZ3 LYS A 86 4.392 28.031 12.141 1.00 15.31 H new ATOM 1376 N GLN A 87 4.877 25.491 15.598 1.00 32.34 N ATOM 1377 CA GLN A 87 4.298 26.330 16.641 1.00 32.12 C ATOM 1378 C GLN A 87 4.142 25.551 17.943 1.00 30.10 C ATOM 1379 O GLN A 87 4.539 26.019 19.009 1.00 71.24 O ATOM 1380 CB GLN A 87 2.941 26.873 16.192 1.00 42.45 C ATOM 1381 CG GLN A 87 2.958 28.358 15.864 1.00 12.12 C ATOM 1382 CD GLN A 87 1.826 28.765 14.941 1.00 31.32 C ATOM 1383 OE1 GLN A 87 2.056 29.319 13.865 1.00 33.12 O ATOM 1384 NE2 GLN A 87 0.596 28.492 15.357 1.00 43.31 N ATOM 0 H GLN A 87 4.228 25.235 14.854 1.00 32.34 H new ATOM 0 HA GLN A 87 4.975 27.165 16.818 1.00 32.12 H new ATOM 0 HB2 GLN A 87 2.610 26.319 15.313 1.00 42.45 H new ATOM 0 HB3 GLN A 87 2.208 26.691 16.978 1.00 42.45 H new ATOM 0 HG2 GLN A 87 2.892 28.931 16.789 1.00 12.12 H new ATOM 0 HG3 GLN A 87 3.910 28.613 15.399 1.00 12.12 H new ATOM 0 HE21 GLN A 87 0.452 28.032 16.256 1.00 43.31 H new ATOM 0 HE22 GLN A 87 -0.206 28.742 14.778 1.00 43.31 H new ATOM 1393 N ALA A 88 3.562 24.359 17.847 1.00 51.00 N ATOM 1394 CA ALA A 88 3.355 23.514 19.016 1.00 1.43 C ATOM 1395 C ALA A 88 4.664 23.282 19.764 1.00 2.51 C ATOM 1396 O ALA A 88 4.712 23.364 20.992 1.00 44.42 O ATOM 1397 CB ALA A 88 2.738 22.185 18.606 1.00 64.14 C ATOM 0 H ALA A 88 3.227 23.957 16.971 1.00 51.00 H new ATOM 0 HA ALA A 88 2.668 24.029 19.688 1.00 1.43 H new ATOM 0 HB1 ALA A 88 2.589 21.565 19.490 1.00 64.14 H new ATOM 0 HB2 ALA A 88 1.778 22.364 18.122 1.00 64.14 H new ATOM 0 HB3 ALA A 88 3.404 21.673 17.912 1.00 64.14 H new ATOM 1403 N LEU A 89 5.723 22.991 19.017 1.00 42.53 N ATOM 1404 CA LEU A 89 7.033 22.745 19.610 1.00 4.14 C ATOM 1405 C LEU A 89 7.438 23.893 20.530 1.00 61.11 C ATOM 1406 O LEU A 89 7.813 23.677 21.682 1.00 35.55 O ATOM 1407 CB LEU A 89 8.084 22.561 18.514 1.00 72.40 C ATOM 1408 CG LEU A 89 9.492 22.197 18.989 1.00 72.44 C ATOM 1409 CD1 LEU A 89 9.471 20.893 19.772 1.00 43.43 C ATOM 1410 CD2 LEU A 89 10.443 22.094 17.805 1.00 51.03 C ATOM 0 H LEU A 89 5.700 22.920 18.000 1.00 42.53 H new ATOM 0 HA LEU A 89 6.971 21.832 20.203 1.00 4.14 H new ATOM 0 HB2 LEU A 89 7.739 21.782 17.834 1.00 72.40 H new ATOM 0 HB3 LEU A 89 8.144 23.484 17.937 1.00 72.40 H new ATOM 0 HG LEU A 89 9.848 22.988 19.649 1.00 72.44 H new ATOM 0 HD11 LEU A 89 10.481 20.650 20.102 1.00 43.43 H new ATOM 0 HD12 LEU A 89 8.822 21.001 20.641 1.00 43.43 H new ATOM 0 HD13 LEU A 89 9.095 20.092 19.135 1.00 43.43 H new ATOM 0 HD21 LEU A 89 11.440 21.834 18.161 1.00 51.03 H new ATOM 0 HD22 LEU A 89 10.090 21.323 17.121 1.00 51.03 H new ATOM 0 HD23 LEU A 89 10.481 23.051 17.285 1.00 51.03 H new ATOM 1422 N GLY A 90 7.357 25.116 20.014 1.00 34.23 N ATOM 1423 CA GLY A 90 7.716 26.280 20.802 1.00 40.10 C ATOM 1424 C GLY A 90 6.753 26.525 21.947 1.00 54.03 C ATOM 1425 O GLY A 90 7.171 26.806 23.070 1.00 45.00 O ATOM 0 H GLY A 90 7.049 25.321 19.064 1.00 34.23 H new ATOM 0 HA2 GLY A 90 8.722 26.149 21.200 1.00 40.10 H new ATOM 0 HA3 GLY A 90 7.740 27.158 20.157 1.00 40.10 H new ATOM 1429 N ARG A 91 5.459 26.419 21.662 1.00 73.41 N ATOM 1430 CA ARG A 91 4.433 26.634 22.675 1.00 13.51 C ATOM 1431 C ARG A 91 4.677 25.745 23.891 1.00 42.43 C ATOM 1432 O ARG A 91 4.755 26.229 25.020 1.00 20.12 O ATOM 1433 CB ARG A 91 3.046 26.353 22.095 1.00 75.12 C ATOM 1434 CG ARG A 91 2.353 27.591 21.547 1.00 55.43 C ATOM 1435 CD ARG A 91 0.999 27.250 20.944 1.00 50.52 C ATOM 1436 NE ARG A 91 -0.095 27.920 21.643 1.00 71.43 N ATOM 1437 CZ ARG A 91 -1.369 27.816 21.283 1.00 64.22 C ATOM 1438 NH1 ARG A 91 -1.708 27.072 20.238 1.00 4.30 N ATOM 1439 NH2 ARG A 91 -2.308 28.456 21.968 1.00 43.13 N ATOM 0 H ARG A 91 5.096 26.185 20.738 1.00 73.41 H new ATOM 0 HA ARG A 91 4.482 27.676 22.991 1.00 13.51 H new ATOM 0 HB2 ARG A 91 3.137 25.615 21.298 1.00 75.12 H new ATOM 0 HB3 ARG A 91 2.420 25.910 22.870 1.00 75.12 H new ATOM 0 HG2 ARG A 91 2.223 28.321 22.346 1.00 55.43 H new ATOM 0 HG3 ARG A 91 2.983 28.057 20.789 1.00 55.43 H new ATOM 0 HD2 ARG A 91 0.987 27.537 19.893 1.00 50.52 H new ATOM 0 HD3 ARG A 91 0.847 26.171 20.981 1.00 50.52 H new ATOM 0 HE ARG A 91 0.132 28.499 22.451 1.00 71.43 H new ATOM 0 HH11 ARG A 91 -0.989 26.578 19.709 1.00 4.30 H new ATOM 0 HH12 ARG A 91 -2.687 26.994 19.964 1.00 4.30 H new ATOM 0 HH21 ARG A 91 -2.052 29.029 22.772 1.00 43.13 H new ATOM 0 HH22 ARG A 91 -3.286 28.375 21.690 1.00 43.13 H new ATOM 1453 N ALA A 92 4.793 24.443 23.653 1.00 74.43 N ATOM 1454 CA ALA A 92 5.028 23.487 24.728 1.00 23.01 C ATOM 1455 C ALA A 92 6.228 23.898 25.574 1.00 1.23 C ATOM 1456 O ALA A 92 6.202 23.788 26.801 1.00 62.31 O ATOM 1457 CB ALA A 92 5.235 22.091 24.158 1.00 43.22 C ATOM 0 H ALA A 92 4.728 24.026 22.725 1.00 74.43 H new ATOM 0 HA ALA A 92 4.148 23.478 25.371 1.00 23.01 H new ATOM 0 HB1 ALA A 92 5.409 21.388 24.972 1.00 43.22 H new ATOM 0 HB2 ALA A 92 4.347 21.790 23.602 1.00 43.22 H new ATOM 0 HB3 ALA A 92 6.097 22.095 23.491 1.00 43.22 H new ATOM 1463 N CYS A 93 7.279 24.371 24.913 1.00 15.40 N ATOM 1464 CA CYS A 93 8.490 24.796 25.605 1.00 0.44 C ATOM 1465 C CYS A 93 8.253 26.098 26.364 1.00 5.14 C ATOM 1466 O CYS A 93 8.827 26.321 27.429 1.00 55.54 O ATOM 1467 CB CYS A 93 9.637 24.974 24.609 1.00 50.32 C ATOM 1468 SG CYS A 93 11.179 24.172 25.107 1.00 73.30 S ATOM 0 H CYS A 93 7.317 24.470 23.898 1.00 15.40 H new ATOM 0 HA CYS A 93 8.760 24.021 26.323 1.00 0.44 H new ATOM 0 HB2 CYS A 93 9.329 24.576 23.642 1.00 50.32 H new ATOM 0 HB3 CYS A 93 9.822 26.039 24.471 1.00 50.32 H new ATOM 0 HG CYS A 93 12.019 24.193 24.115 1.00 73.30 H new ATOM 1474 N GLY A 94 7.406 26.957 25.806 1.00 54.04 N ATOM 1475 CA GLY A 94 7.110 28.227 26.443 1.00 61.15 C ATOM 1476 C GLY A 94 7.974 29.355 25.916 1.00 13.13 C ATOM 1477 O GLY A 94 8.691 30.005 26.677 1.00 43.45 O ATOM 0 H GLY A 94 6.919 26.796 24.924 1.00 54.04 H new ATOM 0 HA2 GLY A 94 6.060 28.473 26.285 1.00 61.15 H new ATOM 0 HA3 GLY A 94 7.257 28.133 27.519 1.00 61.15 H new ATOM 1481 N VAL A 95 7.909 29.588 24.609 1.00 11.41 N ATOM 1482 CA VAL A 95 8.693 30.645 23.981 1.00 75.40 C ATOM 1483 C VAL A 95 7.814 31.538 23.113 1.00 31.13 C ATOM 1484 O VAL A 95 6.639 31.244 22.891 1.00 2.12 O ATOM 1485 CB VAL A 95 9.828 30.064 23.117 1.00 33.41 C ATOM 1486 CG1 VAL A 95 10.922 29.477 23.996 1.00 74.43 C ATOM 1487 CG2 VAL A 95 9.283 29.016 22.157 1.00 14.02 C ATOM 0 H VAL A 95 7.322 29.059 23.964 1.00 11.41 H new ATOM 0 HA VAL A 95 9.127 31.239 24.786 1.00 75.40 H new ATOM 0 HB VAL A 95 10.263 30.872 22.528 1.00 33.41 H new ATOM 0 HG11 VAL A 95 11.715 29.071 23.368 1.00 74.43 H new ATOM 0 HG12 VAL A 95 11.331 30.257 24.638 1.00 74.43 H new ATOM 0 HG13 VAL A 95 10.505 28.681 24.613 1.00 74.43 H new ATOM 0 HG21 VAL A 95 10.098 28.616 21.554 1.00 14.02 H new ATOM 0 HG22 VAL A 95 8.821 28.208 22.724 1.00 14.02 H new ATOM 0 HG23 VAL A 95 8.539 29.473 21.504 1.00 14.02 H new ATOM 1497 N SER A 96 8.392 32.630 22.622 1.00 23.23 N ATOM 1498 CA SER A 96 7.660 33.569 21.780 1.00 23.52 C ATOM 1499 C SER A 96 7.785 33.188 20.308 1.00 65.35 C ATOM 1500 O SER A 96 6.851 33.373 19.526 1.00 4.01 O ATOM 1501 CB SER A 96 8.179 34.992 21.995 1.00 13.33 C ATOM 1502 OG SER A 96 9.558 35.085 21.683 1.00 20.22 O ATOM 0 H SER A 96 9.364 32.886 22.793 1.00 23.23 H new ATOM 0 HA SER A 96 6.608 33.527 22.061 1.00 23.52 H new ATOM 0 HB2 SER A 96 7.615 35.686 21.372 1.00 13.33 H new ATOM 0 HB3 SER A 96 8.017 35.289 23.031 1.00 13.33 H new ATOM 0 HG SER A 96 9.865 36.005 21.827 1.00 20.22 H new ATOM 1508 N ARG A 97 8.943 32.656 19.936 1.00 12.34 N ATOM 1509 CA ARG A 97 9.192 32.250 18.558 1.00 73.35 C ATOM 1510 C ARG A 97 9.320 30.734 18.452 1.00 34.33 C ATOM 1511 O ARG A 97 9.569 30.037 19.436 1.00 71.11 O ATOM 1512 CB ARG A 97 10.462 32.918 18.027 1.00 45.40 C ATOM 1513 CG ARG A 97 10.215 34.276 17.390 1.00 71.54 C ATOM 1514 CD ARG A 97 11.236 35.303 17.853 1.00 52.31 C ATOM 1515 NE ARG A 97 11.757 36.096 16.743 1.00 20.33 N ATOM 1516 CZ ARG A 97 12.696 37.025 16.882 1.00 63.24 C ATOM 1517 NH1 ARG A 97 13.214 37.277 18.076 1.00 41.24 N ATOM 1518 NH2 ARG A 97 13.119 37.706 15.823 1.00 51.52 N ATOM 0 H ARG A 97 9.726 32.495 20.570 1.00 12.34 H new ATOM 0 HA ARG A 97 8.343 32.569 17.954 1.00 73.35 H new ATOM 0 HB2 ARG A 97 11.171 33.034 18.847 1.00 45.40 H new ATOM 0 HB3 ARG A 97 10.928 32.261 17.293 1.00 45.40 H new ATOM 0 HG2 ARG A 97 10.257 34.183 16.305 1.00 71.54 H new ATOM 0 HG3 ARG A 97 9.212 34.620 17.642 1.00 71.54 H new ATOM 0 HD2 ARG A 97 10.777 35.965 18.587 1.00 52.31 H new ATOM 0 HD3 ARG A 97 12.060 34.795 18.353 1.00 52.31 H new ATOM 0 HE ARG A 97 11.379 35.927 15.811 1.00 20.33 H new ATOM 0 HH11 ARG A 97 12.892 36.757 18.892 1.00 41.24 H new ATOM 0 HH12 ARG A 97 13.935 37.991 18.179 1.00 41.24 H new ATOM 0 HH21 ARG A 97 12.723 37.516 14.903 1.00 51.52 H new ATOM 0 HH22 ARG A 97 13.840 38.419 15.930 1.00 51.52 H new ATOM 1532 N PRO A 98 9.145 30.208 17.230 1.00 14.33 N ATOM 1533 CA PRO A 98 9.237 28.769 16.967 1.00 23.44 C ATOM 1534 C PRO A 98 10.664 28.246 17.095 1.00 54.53 C ATOM 1535 O PRO A 98 11.590 29.004 17.385 1.00 54.50 O ATOM 1536 CB PRO A 98 8.749 28.641 15.522 1.00 65.51 C ATOM 1537 CG PRO A 98 9.025 29.971 14.910 1.00 65.44 C ATOM 1538 CD PRO A 98 8.846 30.979 16.012 1.00 33.14 C ATOM 0 HA PRO A 98 8.656 28.186 17.681 1.00 23.44 H new ATOM 0 HB2 PRO A 98 9.276 27.846 14.995 1.00 65.51 H new ATOM 0 HB3 PRO A 98 7.687 28.400 15.483 1.00 65.51 H new ATOM 0 HG2 PRO A 98 10.036 30.012 14.504 1.00 65.44 H new ATOM 0 HG3 PRO A 98 8.342 30.170 14.084 1.00 65.44 H new ATOM 0 HD2 PRO A 98 9.522 31.826 15.896 1.00 33.14 H new ATOM 0 HD3 PRO A 98 7.833 31.380 16.029 1.00 33.14 H new ATOM 1546 N VAL A 99 10.834 26.946 16.877 1.00 14.42 N ATOM 1547 CA VAL A 99 12.149 26.321 16.968 1.00 75.25 C ATOM 1548 C VAL A 99 12.417 25.426 15.762 1.00 45.54 C ATOM 1549 O VAL A 99 11.532 24.702 15.307 1.00 55.33 O ATOM 1550 CB VAL A 99 12.285 25.485 18.255 1.00 32.40 C ATOM 1551 CG1 VAL A 99 13.705 24.959 18.401 1.00 4.14 C ATOM 1552 CG2 VAL A 99 11.884 26.307 19.469 1.00 41.42 C ATOM 0 H VAL A 99 10.078 26.305 16.636 1.00 14.42 H new ATOM 0 HA VAL A 99 12.882 27.127 16.988 1.00 75.25 H new ATOM 0 HB VAL A 99 11.612 24.631 18.186 1.00 32.40 H new ATOM 0 HG11 VAL A 99 13.783 24.371 19.315 1.00 4.14 H new ATOM 0 HG12 VAL A 99 13.951 24.332 17.544 1.00 4.14 H new ATOM 0 HG13 VAL A 99 14.400 25.797 18.448 1.00 4.14 H new ATOM 0 HG21 VAL A 99 11.986 25.701 20.369 1.00 41.42 H new ATOM 0 HG22 VAL A 99 12.530 27.182 19.546 1.00 41.42 H new ATOM 0 HG23 VAL A 99 10.848 26.629 19.364 1.00 41.42 H new ATOM 1562 N ILE A 100 13.641 25.484 15.251 1.00 13.15 N ATOM 1563 CA ILE A 100 14.025 24.678 14.099 1.00 30.34 C ATOM 1564 C ILE A 100 14.793 23.432 14.531 1.00 44.42 C ATOM 1565 O ILE A 100 14.650 22.365 13.935 1.00 44.21 O ATOM 1566 CB ILE A 100 14.891 25.483 13.112 1.00 44.23 C ATOM 1567 CG1 ILE A 100 14.225 26.823 12.792 1.00 72.43 C ATOM 1568 CG2 ILE A 100 15.125 24.684 11.839 1.00 40.21 C ATOM 1569 CD1 ILE A 100 15.057 27.713 11.895 1.00 42.52 C ATOM 0 H ILE A 100 14.384 26.080 15.616 1.00 13.15 H new ATOM 0 HA ILE A 100 13.102 24.380 13.601 1.00 30.34 H new ATOM 0 HB ILE A 100 15.857 25.680 13.576 1.00 44.23 H new ATOM 0 HG12 ILE A 100 13.263 26.636 12.314 1.00 72.43 H new ATOM 0 HG13 ILE A 100 14.021 27.350 13.724 1.00 72.43 H new ATOM 0 HG21 ILE A 100 15.739 25.266 11.152 1.00 40.21 H new ATOM 0 HG22 ILE A 100 15.637 23.753 12.083 1.00 40.21 H new ATOM 0 HG23 ILE A 100 14.167 24.459 11.369 1.00 40.21 H new ATOM 0 HD11 ILE A 100 14.523 28.645 11.711 1.00 42.52 H new ATOM 0 HD12 ILE A 100 16.009 27.930 12.380 1.00 42.52 H new ATOM 0 HD13 ILE A 100 15.240 27.206 10.948 1.00 42.52 H new ATOM 1581 N ALA A 101 15.605 23.577 15.572 1.00 54.31 N ATOM 1582 CA ALA A 101 16.392 22.462 16.087 1.00 2.32 C ATOM 1583 C ALA A 101 16.299 22.381 17.607 1.00 13.10 C ATOM 1584 O ALA A 101 16.648 23.329 18.312 1.00 63.42 O ATOM 1585 CB ALA A 101 17.844 22.596 15.651 1.00 55.22 C ATOM 0 H ALA A 101 15.736 24.454 16.076 1.00 54.31 H new ATOM 0 HA ALA A 101 15.984 21.539 15.675 1.00 2.32 H new ATOM 0 HB1 ALA A 101 18.420 21.757 16.042 1.00 55.22 H new ATOM 0 HB2 ALA A 101 17.898 22.597 14.562 1.00 55.22 H new ATOM 0 HB3 ALA A 101 18.255 23.529 16.036 1.00 55.22 H new ATOM 1591 N CYS A 102 15.827 21.244 18.105 1.00 0.20 N ATOM 1592 CA CYS A 102 15.687 21.040 19.543 1.00 74.31 C ATOM 1593 C CYS A 102 16.163 19.647 19.943 1.00 20.14 C ATOM 1594 O CYS A 102 16.459 18.812 19.088 1.00 14.33 O ATOM 1595 CB CYS A 102 14.231 21.235 19.967 1.00 73.24 C ATOM 1596 SG CYS A 102 13.067 20.116 19.151 1.00 5.03 S ATOM 0 H CYS A 102 15.535 20.450 17.536 1.00 0.20 H new ATOM 0 HA CYS A 102 16.308 21.777 20.052 1.00 74.31 H new ATOM 0 HB2 CYS A 102 14.156 21.096 21.046 1.00 73.24 H new ATOM 0 HB3 CYS A 102 13.937 22.263 19.757 1.00 73.24 H new ATOM 0 HG CYS A 102 13.640 19.572 18.118 1.00 5.03 H new ATOM 1602 N SER A 103 16.237 19.404 21.248 1.00 60.24 N ATOM 1603 CA SER A 103 16.684 18.115 21.762 1.00 40.34 C ATOM 1604 C SER A 103 16.125 17.865 23.160 1.00 31.44 C ATOM 1605 O SER A 103 15.645 18.784 23.823 1.00 70.21 O ATOM 1606 CB SER A 103 18.211 18.056 21.791 1.00 15.43 C ATOM 1607 OG SER A 103 18.761 18.399 20.532 1.00 70.34 O ATOM 0 H SER A 103 15.993 20.083 21.969 1.00 60.24 H new ATOM 0 HA SER A 103 16.311 17.336 21.097 1.00 40.34 H new ATOM 0 HB2 SER A 103 18.589 18.737 22.554 1.00 15.43 H new ATOM 0 HB3 SER A 103 18.534 17.053 22.071 1.00 15.43 H new ATOM 0 HG SER A 103 19.739 18.355 20.579 1.00 70.34 H new ATOM 1613 N VAL A 104 16.194 16.612 23.602 1.00 64.31 N ATOM 1614 CA VAL A 104 15.697 16.239 24.921 1.00 64.32 C ATOM 1615 C VAL A 104 16.777 15.537 25.737 1.00 62.34 C ATOM 1616 O VAL A 104 17.149 14.400 25.447 1.00 71.31 O ATOM 1617 CB VAL A 104 14.467 15.318 24.818 1.00 2.32 C ATOM 1618 CG1 VAL A 104 13.876 15.060 26.196 1.00 23.31 C ATOM 1619 CG2 VAL A 104 13.426 15.922 23.887 1.00 4.34 C ATOM 0 H VAL A 104 16.589 15.839 23.066 1.00 64.31 H new ATOM 0 HA VAL A 104 15.409 17.163 25.423 1.00 64.32 H new ATOM 0 HB VAL A 104 14.784 14.362 24.400 1.00 2.32 H new ATOM 0 HG11 VAL A 104 13.008 14.407 26.103 1.00 23.31 H new ATOM 0 HG12 VAL A 104 14.624 14.582 26.829 1.00 23.31 H new ATOM 0 HG13 VAL A 104 13.573 16.006 26.645 1.00 23.31 H new ATOM 0 HG21 VAL A 104 12.564 15.258 23.826 1.00 4.34 H new ATOM 0 HG22 VAL A 104 13.111 16.891 24.273 1.00 4.34 H new ATOM 0 HG23 VAL A 104 13.857 16.050 22.894 1.00 4.34 H new ATOM 1629 N THR A 105 17.278 16.223 26.760 1.00 51.24 N ATOM 1630 CA THR A 105 18.316 15.666 27.618 1.00 31.31 C ATOM 1631 C THR A 105 17.715 14.781 28.704 1.00 34.32 C ATOM 1632 O THR A 105 16.875 15.225 29.486 1.00 50.14 O ATOM 1633 CB THR A 105 19.152 16.777 28.281 1.00 74.14 C ATOM 1634 OG1 THR A 105 18.290 17.796 28.799 1.00 52.15 O ATOM 1635 CG2 THR A 105 20.127 17.387 27.286 1.00 1.44 C ATOM 0 H THR A 105 16.981 17.165 27.014 1.00 51.24 H new ATOM 0 HA THR A 105 18.964 15.065 26.981 1.00 31.31 H new ATOM 0 HB THR A 105 19.721 16.334 29.098 1.00 74.14 H new ATOM 0 HG1 THR A 105 18.546 18.003 29.722 1.00 52.15 H new ATOM 0 HG21 THR A 105 20.706 18.169 27.777 1.00 1.44 H new ATOM 0 HG22 THR A 105 20.801 16.614 26.916 1.00 1.44 H new ATOM 0 HG23 THR A 105 19.574 17.816 26.450 1.00 1.44 H new ATOM 1643 N ILE A 106 18.151 13.525 28.746 1.00 23.12 N ATOM 1644 CA ILE A 106 17.657 12.579 29.737 1.00 62.14 C ATOM 1645 C ILE A 106 18.532 12.583 30.986 1.00 44.01 C ATOM 1646 O ILE A 106 19.755 12.699 30.901 1.00 72.03 O ATOM 1647 CB ILE A 106 17.600 11.148 29.170 1.00 3.40 C ATOM 1648 CG1 ILE A 106 16.903 10.211 30.159 1.00 1.33 C ATOM 1649 CG2 ILE A 106 19.001 10.647 28.855 1.00 73.02 C ATOM 1650 CD1 ILE A 106 16.283 8.996 29.506 1.00 71.30 C ATOM 0 H ILE A 106 18.845 13.141 28.105 1.00 23.12 H new ATOM 0 HA ILE A 106 16.649 12.898 30.001 1.00 62.14 H new ATOM 0 HB ILE A 106 17.024 11.163 28.245 1.00 3.40 H new ATOM 0 HG12 ILE A 106 17.625 9.883 30.907 1.00 1.33 H new ATOM 0 HG13 ILE A 106 16.127 10.765 30.687 1.00 1.33 H new ATOM 0 HG21 ILE A 106 18.944 9.635 28.455 1.00 73.02 H new ATOM 0 HG22 ILE A 106 19.465 11.303 28.118 1.00 73.02 H new ATOM 0 HG23 ILE A 106 19.600 10.644 29.766 1.00 73.02 H new ATOM 0 HD11 ILE A 106 15.807 8.377 30.267 1.00 71.30 H new ATOM 0 HD12 ILE A 106 15.537 9.315 28.778 1.00 71.30 H new ATOM 0 HD13 ILE A 106 17.058 8.419 29.002 1.00 71.30 H new ATOM 1662 N LYS A 107 17.897 12.456 32.147 1.00 32.51 N ATOM 1663 CA LYS A 107 18.617 12.442 33.414 1.00 42.55 C ATOM 1664 C LYS A 107 18.521 11.074 34.081 1.00 71.31 C ATOM 1665 O LYS A 107 17.528 10.761 34.737 1.00 42.55 O ATOM 1666 CB LYS A 107 18.060 13.517 34.352 1.00 34.02 C ATOM 1667 CG LYS A 107 19.067 14.011 35.376 1.00 63.22 C ATOM 1668 CD LYS A 107 19.119 15.530 35.418 1.00 23.33 C ATOM 1669 CE LYS A 107 17.791 16.122 35.862 1.00 54.55 C ATOM 1670 NZ LYS A 107 17.877 17.596 36.054 1.00 61.24 N ATOM 0 H LYS A 107 16.885 12.361 32.236 1.00 32.51 H new ATOM 0 HA LYS A 107 19.666 12.653 33.208 1.00 42.55 H new ATOM 0 HB2 LYS A 107 17.714 14.363 33.757 1.00 34.02 H new ATOM 0 HB3 LYS A 107 17.190 13.117 34.873 1.00 34.02 H new ATOM 0 HG2 LYS A 107 18.803 13.627 36.362 1.00 63.22 H new ATOM 0 HG3 LYS A 107 20.055 13.619 35.135 1.00 63.22 H new ATOM 0 HD2 LYS A 107 19.907 15.849 36.100 1.00 23.33 H new ATOM 0 HD3 LYS A 107 19.377 15.913 34.431 1.00 23.33 H new ATOM 0 HE2 LYS A 107 17.026 15.897 35.119 1.00 54.55 H new ATOM 0 HE3 LYS A 107 17.478 15.652 36.794 1.00 54.55 H new ATOM 0 HZ1 LYS A 107 16.951 17.961 36.357 1.00 61.24 H new ATOM 0 HZ2 LYS A 107 18.588 17.810 36.782 1.00 61.24 H new ATOM 0 HZ3 LYS A 107 18.151 18.047 35.158 1.00 61.24 H new ATOM 1684 N GLU A 108 19.558 10.261 33.907 1.00 23.04 N ATOM 1685 CA GLU A 108 19.590 8.926 34.492 1.00 22.10 C ATOM 1686 C GLU A 108 19.431 8.992 36.008 1.00 43.12 C ATOM 1687 O GLU A 108 20.312 9.480 36.715 1.00 60.12 O ATOM 1688 CB GLU A 108 20.899 8.220 34.135 1.00 13.33 C ATOM 1689 CG GLU A 108 20.771 6.708 34.046 1.00 4.14 C ATOM 1690 CD GLU A 108 20.877 6.033 35.399 1.00 34.51 C ATOM 1691 OE1 GLU A 108 21.730 6.455 36.208 1.00 21.43 O ATOM 1692 OE2 GLU A 108 20.108 5.081 35.649 1.00 33.22 O ATOM 0 H GLU A 108 20.387 10.504 33.365 1.00 23.04 H new ATOM 0 HA GLU A 108 18.756 8.357 34.082 1.00 22.10 H new ATOM 0 HB2 GLU A 108 21.259 8.602 33.180 1.00 13.33 H new ATOM 0 HB3 GLU A 108 21.652 8.469 34.883 1.00 13.33 H new ATOM 0 HG2 GLU A 108 19.813 6.454 33.592 1.00 4.14 H new ATOM 0 HG3 GLU A 108 21.549 6.319 33.388 1.00 4.14 H new ATOM 1699 N GLY A 109 18.299 8.499 36.500 1.00 14.11 N ATOM 1700 CA GLY A 109 18.043 8.512 37.929 1.00 32.35 C ATOM 1701 C GLY A 109 16.671 9.058 38.268 1.00 3.14 C ATOM 1702 O GLY A 109 16.144 8.805 39.351 1.00 22.42 O ATOM 0 H GLY A 109 17.554 8.091 35.935 1.00 14.11 H new ATOM 0 HA2 GLY A 109 18.134 7.499 38.320 1.00 32.35 H new ATOM 0 HA3 GLY A 109 18.803 9.115 38.426 1.00 32.35 H new ATOM 1706 N SER A 110 16.090 9.813 37.340 1.00 21.14 N ATOM 1707 CA SER A 110 14.774 10.402 37.547 1.00 53.35 C ATOM 1708 C SER A 110 13.676 9.470 37.043 1.00 64.12 C ATOM 1709 O SER A 110 13.931 8.570 36.245 1.00 22.44 O ATOM 1710 CB SER A 110 14.678 11.753 36.837 1.00 71.23 C ATOM 1711 OG SER A 110 15.853 12.519 37.036 1.00 2.10 O ATOM 0 H SER A 110 16.512 10.031 36.437 1.00 21.14 H new ATOM 0 HA SER A 110 14.636 10.553 38.618 1.00 53.35 H new ATOM 0 HB2 SER A 110 14.519 11.596 35.770 1.00 71.23 H new ATOM 0 HB3 SER A 110 13.814 12.303 37.211 1.00 71.23 H new ATOM 0 HG SER A 110 15.611 13.457 37.186 1.00 2.10 H new ATOM 1717 N GLN A 111 12.454 9.694 37.516 1.00 64.22 N ATOM 1718 CA GLN A 111 11.317 8.875 37.114 1.00 23.32 C ATOM 1719 C GLN A 111 10.982 9.094 35.642 1.00 63.12 C ATOM 1720 O GLN A 111 10.426 8.214 34.983 1.00 41.53 O ATOM 1721 CB GLN A 111 10.098 9.196 37.980 1.00 13.04 C ATOM 1722 CG GLN A 111 10.413 9.284 39.465 1.00 61.23 C ATOM 1723 CD GLN A 111 9.258 8.828 40.334 1.00 41.53 C ATOM 1724 OE1 GLN A 111 8.389 9.622 40.698 1.00 4.12 O ATOM 1725 NE2 GLN A 111 9.240 7.544 40.672 1.00 1.02 N ATOM 0 H GLN A 111 12.226 10.436 38.178 1.00 64.22 H new ATOM 0 HA GLN A 111 11.588 7.829 37.255 1.00 23.32 H new ATOM 0 HB2 GLN A 111 9.668 10.142 37.651 1.00 13.04 H new ATOM 0 HB3 GLN A 111 9.339 8.430 37.823 1.00 13.04 H new ATOM 0 HG2 GLN A 111 11.290 8.674 39.683 1.00 61.23 H new ATOM 0 HG3 GLN A 111 10.669 10.313 39.718 1.00 61.23 H new ATOM 0 HE21 GLN A 111 9.980 6.921 40.348 1.00 1.02 H new ATOM 0 HE22 GLN A 111 8.486 7.181 41.255 1.00 1.02 H new ATOM 1734 N LEU A 112 11.323 10.273 35.132 1.00 72.23 N ATOM 1735 CA LEU A 112 11.057 10.608 33.737 1.00 31.32 C ATOM 1736 C LEU A 112 11.983 9.833 32.805 1.00 24.45 C ATOM 1737 O LEU A 112 11.647 9.577 31.648 1.00 44.33 O ATOM 1738 CB LEU A 112 11.229 12.111 33.512 1.00 30.42 C ATOM 1739 CG LEU A 112 10.256 13.019 34.266 1.00 31.04 C ATOM 1740 CD1 LEU A 112 10.589 14.481 34.018 1.00 62.53 C ATOM 1741 CD2 LEU A 112 8.821 12.719 33.856 1.00 4.44 C ATOM 0 H LEU A 112 11.784 11.012 35.663 1.00 72.23 H new ATOM 0 HA LEU A 112 10.028 10.328 33.511 1.00 31.32 H new ATOM 0 HB2 LEU A 112 12.245 12.386 33.795 1.00 30.42 H new ATOM 0 HB3 LEU A 112 11.130 12.312 32.445 1.00 30.42 H new ATOM 0 HG LEU A 112 10.357 12.821 35.333 1.00 31.04 H new ATOM 0 HD11 LEU A 112 9.886 15.112 34.562 1.00 62.53 H new ATOM 0 HD12 LEU A 112 11.603 14.687 34.362 1.00 62.53 H new ATOM 0 HD13 LEU A 112 10.517 14.695 32.952 1.00 62.53 H new ATOM 0 HD21 LEU A 112 8.142 13.374 34.402 1.00 4.44 H new ATOM 0 HD22 LEU A 112 8.706 12.888 32.785 1.00 4.44 H new ATOM 0 HD23 LEU A 112 8.586 11.680 34.087 1.00 4.44 H new ATOM 1753 N LYS A 113 13.152 9.460 33.316 1.00 50.34 N ATOM 1754 CA LYS A 113 14.126 8.711 32.533 1.00 21.44 C ATOM 1755 C LYS A 113 13.486 7.481 31.899 1.00 53.12 C ATOM 1756 O LYS A 113 13.502 7.320 30.679 1.00 54.53 O ATOM 1757 CB LYS A 113 15.305 8.291 33.413 1.00 31.32 C ATOM 1758 CG LYS A 113 16.341 7.454 32.683 1.00 53.31 C ATOM 1759 CD LYS A 113 16.446 6.057 33.272 1.00 52.14 C ATOM 1760 CE LYS A 113 17.358 5.168 32.442 1.00 3.10 C ATOM 1761 NZ LYS A 113 16.962 3.735 32.523 1.00 41.40 N ATOM 0 H LYS A 113 13.447 9.665 34.271 1.00 50.34 H new ATOM 0 HA LYS A 113 14.489 9.360 31.736 1.00 21.44 H new ATOM 0 HB2 LYS A 113 15.787 9.184 33.811 1.00 31.32 H new ATOM 0 HB3 LYS A 113 14.928 7.725 34.265 1.00 31.32 H new ATOM 0 HG2 LYS A 113 16.077 7.386 31.628 1.00 53.31 H new ATOM 0 HG3 LYS A 113 17.312 7.947 32.737 1.00 53.31 H new ATOM 0 HD2 LYS A 113 16.826 6.119 34.292 1.00 52.14 H new ATOM 0 HD3 LYS A 113 15.454 5.610 33.329 1.00 52.14 H new ATOM 0 HE2 LYS A 113 17.333 5.493 31.402 1.00 3.10 H new ATOM 0 HE3 LYS A 113 18.386 5.280 32.787 1.00 3.10 H new ATOM 0 HZ1 LYS A 113 17.609 3.163 31.943 1.00 41.40 H new ATOM 0 HZ2 LYS A 113 17.010 3.417 33.512 1.00 41.40 H new ATOM 0 HZ3 LYS A 113 15.990 3.623 32.170 1.00 41.40 H new ATOM 1775 N GLN A 114 12.922 6.616 32.738 1.00 61.43 N ATOM 1776 CA GLN A 114 12.275 5.400 32.259 1.00 72.43 C ATOM 1777 C GLN A 114 11.153 5.730 31.279 1.00 74.02 C ATOM 1778 O GLN A 114 10.898 4.979 30.338 1.00 72.01 O ATOM 1779 CB GLN A 114 11.721 4.595 33.435 1.00 55.02 C ATOM 1780 CG GLN A 114 10.836 5.408 34.365 1.00 42.53 C ATOM 1781 CD GLN A 114 10.047 4.541 35.328 1.00 34.32 C ATOM 1782 OE1 GLN A 114 10.103 3.312 35.262 1.00 5.05 O ATOM 1783 NE2 GLN A 114 9.308 5.177 36.228 1.00 52.12 N ATOM 0 H GLN A 114 12.900 6.735 33.751 1.00 61.43 H new ATOM 0 HA GLN A 114 13.023 4.801 31.739 1.00 72.43 H new ATOM 0 HB2 GLN A 114 11.150 3.751 33.049 1.00 55.02 H new ATOM 0 HB3 GLN A 114 12.553 4.183 34.006 1.00 55.02 H new ATOM 0 HG2 GLN A 114 11.454 6.104 34.932 1.00 42.53 H new ATOM 0 HG3 GLN A 114 10.145 6.006 33.771 1.00 42.53 H new ATOM 0 HE21 GLN A 114 9.292 6.197 36.246 1.00 52.12 H new ATOM 0 HE22 GLN A 114 8.756 4.646 36.902 1.00 52.12 H new ATOM 1792 N GLN A 115 10.487 6.857 31.508 1.00 61.10 N ATOM 1793 CA GLN A 115 9.392 7.284 30.646 1.00 63.24 C ATOM 1794 C GLN A 115 9.900 7.629 29.249 1.00 72.32 C ATOM 1795 O GLN A 115 9.420 7.088 28.252 1.00 51.22 O ATOM 1796 CB GLN A 115 8.679 8.494 31.254 1.00 73.54 C ATOM 1797 CG GLN A 115 7.421 8.132 32.026 1.00 41.35 C ATOM 1798 CD GLN A 115 6.153 8.409 31.241 1.00 53.12 C ATOM 1799 OE1 GLN A 115 5.777 7.639 30.356 1.00 2.13 O ATOM 1800 NE2 GLN A 115 5.487 9.511 31.562 1.00 50.05 N ATOM 0 H GLN A 115 10.686 7.490 32.282 1.00 61.10 H new ATOM 0 HA GLN A 115 8.686 6.458 30.562 1.00 63.24 H new ATOM 0 HB2 GLN A 115 9.367 9.014 31.920 1.00 73.54 H new ATOM 0 HB3 GLN A 115 8.419 9.191 30.457 1.00 73.54 H new ATOM 0 HG2 GLN A 115 7.455 7.076 32.293 1.00 41.35 H new ATOM 0 HG3 GLN A 115 7.397 8.696 32.958 1.00 41.35 H new ATOM 0 HE21 GLN A 115 5.835 10.120 32.302 1.00 50.05 H new ATOM 0 HE22 GLN A 115 4.627 9.749 31.069 1.00 50.05 H new ATOM 1809 N ILE A 116 10.875 8.530 29.185 1.00 63.15 N ATOM 1810 CA ILE A 116 11.448 8.945 27.911 1.00 2.13 C ATOM 1811 C ILE A 116 11.910 7.741 27.098 1.00 72.53 C ATOM 1812 O ILE A 116 11.845 7.748 25.869 1.00 31.12 O ATOM 1813 CB ILE A 116 12.639 9.900 28.114 1.00 64.21 C ATOM 1814 CG1 ILE A 116 12.200 11.137 28.901 1.00 2.32 C ATOM 1815 CG2 ILE A 116 13.230 10.302 26.771 1.00 10.44 C ATOM 1816 CD1 ILE A 116 13.354 11.923 29.485 1.00 73.22 C ATOM 0 H ILE A 116 11.284 8.986 30.000 1.00 63.15 H new ATOM 0 HA ILE A 116 10.662 9.468 27.367 1.00 2.13 H new ATOM 0 HB ILE A 116 13.408 9.382 28.687 1.00 64.21 H new ATOM 0 HG12 ILE A 116 11.622 11.788 28.245 1.00 2.32 H new ATOM 0 HG13 ILE A 116 11.536 10.827 29.708 1.00 2.32 H new ATOM 0 HG21 ILE A 116 14.071 10.977 26.931 1.00 10.44 H new ATOM 0 HG22 ILE A 116 13.574 9.412 26.244 1.00 10.44 H new ATOM 0 HG23 ILE A 116 12.469 10.805 26.175 1.00 10.44 H new ATOM 0 HD11 ILE A 116 12.969 12.785 30.029 1.00 73.22 H new ATOM 0 HD12 ILE A 116 13.919 11.287 30.166 1.00 73.22 H new ATOM 0 HD13 ILE A 116 14.006 12.263 28.681 1.00 73.22 H new ATOM 1828 N GLN A 117 12.375 6.707 27.794 1.00 65.31 N ATOM 1829 CA GLN A 117 12.846 5.494 27.136 1.00 21.43 C ATOM 1830 C GLN A 117 11.676 4.672 26.605 1.00 40.22 C ATOM 1831 O GLN A 117 11.772 4.047 25.549 1.00 13.34 O ATOM 1832 CB GLN A 117 13.678 4.653 28.105 1.00 53.30 C ATOM 1833 CG GLN A 117 14.549 3.614 27.417 1.00 44.25 C ATOM 1834 CD GLN A 117 15.954 3.563 27.984 1.00 0.01 C ATOM 1835 OE1 GLN A 117 16.153 3.225 29.151 1.00 71.10 O ATOM 1836 NE2 GLN A 117 16.938 3.899 27.159 1.00 72.22 N ATOM 0 H GLN A 117 12.435 6.686 28.812 1.00 65.31 H new ATOM 0 HA GLN A 117 13.471 5.788 26.293 1.00 21.43 H new ATOM 0 HB2 GLN A 117 14.313 5.315 28.694 1.00 53.30 H new ATOM 0 HB3 GLN A 117 13.009 4.149 28.803 1.00 53.30 H new ATOM 0 HG2 GLN A 117 14.085 2.633 27.517 1.00 44.25 H new ATOM 0 HG3 GLN A 117 14.599 3.836 26.351 1.00 44.25 H new ATOM 0 HE21 GLN A 117 16.728 4.173 26.199 1.00 72.22 H new ATOM 0 HE22 GLN A 117 17.904 3.883 27.485 1.00 72.22 H new ATOM 1845 N SER A 118 10.571 4.679 27.344 1.00 34.24 N ATOM 1846 CA SER A 118 9.384 3.931 26.950 1.00 52.41 C ATOM 1847 C SER A 118 8.890 4.377 25.577 1.00 4.13 C ATOM 1848 O SER A 118 8.567 3.551 24.724 1.00 24.13 O ATOM 1849 CB SER A 118 8.274 4.112 27.988 1.00 62.44 C ATOM 1850 OG SER A 118 8.727 3.768 29.285 1.00 4.12 O ATOM 0 H SER A 118 10.474 5.195 28.219 1.00 34.24 H new ATOM 0 HA SER A 118 9.652 2.876 26.894 1.00 52.41 H new ATOM 0 HB2 SER A 118 7.931 5.147 27.982 1.00 62.44 H new ATOM 0 HB3 SER A 118 7.418 3.491 27.722 1.00 62.44 H new ATOM 0 HG SER A 118 9.357 4.448 29.602 1.00 4.12 H new ATOM 1856 N ILE A 119 8.836 5.689 25.374 1.00 60.50 N ATOM 1857 CA ILE A 119 8.384 6.246 24.104 1.00 12.33 C ATOM 1858 C ILE A 119 9.448 6.088 23.024 1.00 3.44 C ATOM 1859 O ILE A 119 9.132 5.965 21.842 1.00 32.24 O ATOM 1860 CB ILE A 119 8.024 7.738 24.242 1.00 35.42 C ATOM 1861 CG1 ILE A 119 7.429 8.262 22.932 1.00 3.53 C ATOM 1862 CG2 ILE A 119 9.252 8.545 24.634 1.00 54.11 C ATOM 1863 CD1 ILE A 119 6.302 9.251 23.135 1.00 32.55 C ATOM 0 H ILE A 119 9.099 6.386 26.071 1.00 60.50 H new ATOM 0 HA ILE A 119 7.492 5.690 23.814 1.00 12.33 H new ATOM 0 HB ILE A 119 7.277 7.847 25.029 1.00 35.42 H new ATOM 0 HG12 ILE A 119 8.218 8.736 22.348 1.00 3.53 H new ATOM 0 HG13 ILE A 119 7.062 7.419 22.346 1.00 3.53 H new ATOM 0 HG21 ILE A 119 8.982 9.597 24.728 1.00 54.11 H new ATOM 0 HG22 ILE A 119 9.636 8.183 25.588 1.00 54.11 H new ATOM 0 HG23 ILE A 119 10.020 8.435 23.868 1.00 54.11 H new ATOM 0 HD11 ILE A 119 5.928 9.581 22.166 1.00 32.55 H new ATOM 0 HD12 ILE A 119 5.495 8.774 23.692 1.00 32.55 H new ATOM 0 HD13 ILE A 119 6.669 10.112 23.694 1.00 32.55 H new ATOM 1875 N GLN A 120 10.711 6.092 23.440 1.00 15.33 N ATOM 1876 CA GLN A 120 11.822 5.949 22.507 1.00 12.42 C ATOM 1877 C GLN A 120 11.714 4.641 21.729 1.00 22.32 C ATOM 1878 O GLN A 120 12.047 4.585 20.546 1.00 34.52 O ATOM 1879 CB GLN A 120 13.155 6.001 23.257 1.00 53.30 C ATOM 1880 CG GLN A 120 14.287 6.607 22.444 1.00 42.13 C ATOM 1881 CD GLN A 120 15.542 6.829 23.265 1.00 51.24 C ATOM 1882 OE1 GLN A 120 15.926 5.982 24.073 1.00 25.43 O ATOM 1883 NE2 GLN A 120 16.187 7.971 23.063 1.00 0.43 N ATOM 0 H GLN A 120 10.990 6.193 24.416 1.00 15.33 H new ATOM 0 HA GLN A 120 11.778 6.777 21.799 1.00 12.42 H new ATOM 0 HB2 GLN A 120 13.025 6.580 24.172 1.00 53.30 H new ATOM 0 HB3 GLN A 120 13.434 4.991 23.556 1.00 53.30 H new ATOM 0 HG2 GLN A 120 14.518 5.951 21.605 1.00 42.13 H new ATOM 0 HG3 GLN A 120 13.959 7.558 22.024 1.00 42.13 H new ATOM 0 HE21 GLN A 120 15.832 8.644 22.383 1.00 0.43 H new ATOM 0 HE22 GLN A 120 17.037 8.176 23.587 1.00 0.43 H new ATOM 1892 N GLN A 121 11.247 3.595 22.401 1.00 51.12 N ATOM 1893 CA GLN A 121 11.096 2.288 21.772 1.00 51.02 C ATOM 1894 C GLN A 121 10.016 2.324 20.696 1.00 61.44 C ATOM 1895 O GLN A 121 10.140 1.676 19.656 1.00 25.31 O ATOM 1896 CB GLN A 121 10.751 1.230 22.821 1.00 32.22 C ATOM 1897 CG GLN A 121 10.959 -0.197 22.338 1.00 24.14 C ATOM 1898 CD GLN A 121 11.875 -0.993 23.247 1.00 44.00 C ATOM 1899 OE1 GLN A 121 11.529 -1.286 24.392 1.00 33.42 O ATOM 1900 NE2 GLN A 121 13.050 -1.348 22.742 1.00 3.11 N ATOM 0 H GLN A 121 10.966 3.626 23.381 1.00 51.12 H new ATOM 0 HA GLN A 121 12.044 2.028 21.302 1.00 51.02 H new ATOM 0 HB2 GLN A 121 11.362 1.397 23.708 1.00 32.22 H new ATOM 0 HB3 GLN A 121 9.711 1.355 23.122 1.00 32.22 H new ATOM 0 HG2 GLN A 121 9.994 -0.699 22.272 1.00 24.14 H new ATOM 0 HG3 GLN A 121 11.378 -0.179 21.332 1.00 24.14 H new ATOM 0 HE21 GLN A 121 13.296 -1.084 21.788 1.00 3.11 H new ATOM 0 HE22 GLN A 121 13.707 -1.885 23.308 1.00 3.11 H new ATOM 1909 N SER A 122 8.956 3.084 20.952 1.00 63.41 N ATOM 1910 CA SER A 122 7.852 3.201 20.006 1.00 24.12 C ATOM 1911 C SER A 122 8.360 3.609 18.626 1.00 5.53 C ATOM 1912 O SER A 122 7.764 3.260 17.606 1.00 2.04 O ATOM 1913 CB SER A 122 6.830 4.223 20.507 1.00 53.31 C ATOM 1914 OG SER A 122 5.507 3.734 20.359 1.00 3.31 O ATOM 0 H SER A 122 8.838 3.628 21.807 1.00 63.41 H new ATOM 0 HA SER A 122 7.371 2.226 19.924 1.00 24.12 H new ATOM 0 HB2 SER A 122 7.022 4.451 21.556 1.00 53.31 H new ATOM 0 HB3 SER A 122 6.941 5.155 19.953 1.00 53.31 H new ATOM 0 HG SER A 122 4.872 4.404 20.688 1.00 3.31 H new ATOM 1920 N ILE A 123 9.464 4.349 18.604 1.00 71.43 N ATOM 1921 CA ILE A 123 10.052 4.804 17.350 1.00 14.25 C ATOM 1922 C ILE A 123 10.701 3.648 16.596 1.00 71.11 C ATOM 1923 O ILE A 123 10.623 3.572 15.371 1.00 33.15 O ATOM 1924 CB ILE A 123 11.105 5.901 17.588 1.00 2.43 C ATOM 1925 CG1 ILE A 123 10.522 7.018 18.456 1.00 63.11 C ATOM 1926 CG2 ILE A 123 11.601 6.457 16.261 1.00 44.34 C ATOM 1927 CD1 ILE A 123 11.537 8.067 18.855 1.00 71.41 C ATOM 0 H ILE A 123 9.969 4.646 19.439 1.00 71.43 H new ATOM 0 HA ILE A 123 9.239 5.215 16.751 1.00 14.25 H new ATOM 0 HB ILE A 123 11.953 5.462 18.115 1.00 2.43 H new ATOM 0 HG12 ILE A 123 9.708 7.500 17.915 1.00 63.11 H new ATOM 0 HG13 ILE A 123 10.091 6.580 19.356 1.00 63.11 H new ATOM 0 HG21 ILE A 123 12.345 7.232 16.446 1.00 44.34 H new ATOM 0 HG22 ILE A 123 12.050 5.655 15.676 1.00 44.34 H new ATOM 0 HG23 ILE A 123 10.763 6.883 15.709 1.00 44.34 H new ATOM 0 HD11 ILE A 123 11.053 8.827 19.469 1.00 71.41 H new ATOM 0 HD12 ILE A 123 12.340 7.598 19.424 1.00 71.41 H new ATOM 0 HD13 ILE A 123 11.950 8.532 17.960 1.00 71.41 H new ATOM 1939 N GLU A 124 11.339 2.748 17.339 1.00 33.31 N ATOM 1940 CA GLU A 124 12.001 1.595 16.740 1.00 61.55 C ATOM 1941 C GLU A 124 11.048 0.840 15.816 1.00 42.11 C ATOM 1942 O GLU A 124 11.411 0.475 14.698 1.00 62.41 O ATOM 1943 CB GLU A 124 12.523 0.656 17.829 1.00 74.12 C ATOM 1944 CG GLU A 124 13.897 0.081 17.529 1.00 52.55 C ATOM 1945 CD GLU A 124 14.415 -0.805 18.645 1.00 54.13 C ATOM 1946 OE1 GLU A 124 13.847 -0.752 19.757 1.00 63.30 O ATOM 1947 OE2 GLU A 124 15.387 -1.552 18.408 1.00 54.22 O ATOM 0 H GLU A 124 11.411 2.795 18.355 1.00 33.31 H new ATOM 0 HA GLU A 124 12.842 1.958 16.149 1.00 61.55 H new ATOM 0 HB2 GLU A 124 12.563 1.197 18.775 1.00 74.12 H new ATOM 0 HB3 GLU A 124 11.816 -0.163 17.960 1.00 74.12 H new ATOM 0 HG2 GLU A 124 13.852 -0.495 16.604 1.00 52.55 H new ATOM 0 HG3 GLU A 124 14.600 0.897 17.362 1.00 52.55 H new ATOM 1954 N ARG A 125 9.829 0.611 16.293 1.00 13.22 N ATOM 1955 CA ARG A 125 8.824 -0.101 15.512 1.00 32.44 C ATOM 1956 C ARG A 125 8.362 0.739 14.325 1.00 3.54 C ATOM 1957 O ARG A 125 7.929 0.205 13.303 1.00 42.55 O ATOM 1958 CB ARG A 125 7.627 -0.465 16.391 1.00 43.04 C ATOM 1959 CG ARG A 125 7.875 -1.663 17.294 1.00 63.51 C ATOM 1960 CD ARG A 125 7.858 -2.964 16.508 1.00 22.24 C ATOM 1961 NE ARG A 125 7.684 -4.126 17.376 1.00 42.45 N ATOM 1962 CZ ARG A 125 7.309 -5.322 16.937 1.00 51.02 C ATOM 1963 NH1 ARG A 125 7.072 -5.513 15.647 1.00 35.14 N ATOM 1964 NH2 ARG A 125 7.171 -6.329 17.790 1.00 72.42 N ATOM 0 H ARG A 125 9.513 0.908 17.216 1.00 13.22 H new ATOM 0 HA ARG A 125 9.277 -1.016 15.132 1.00 32.44 H new ATOM 0 HB2 ARG A 125 7.365 0.395 17.007 1.00 43.04 H new ATOM 0 HB3 ARG A 125 6.769 -0.674 15.753 1.00 43.04 H new ATOM 0 HG2 ARG A 125 8.837 -1.551 17.794 1.00 63.51 H new ATOM 0 HG3 ARG A 125 7.113 -1.697 18.073 1.00 63.51 H new ATOM 0 HD2 ARG A 125 7.051 -2.935 15.776 1.00 22.24 H new ATOM 0 HD3 ARG A 125 8.790 -3.064 15.952 1.00 22.24 H new ATOM 0 HE ARG A 125 7.860 -4.013 18.374 1.00 42.45 H new ATOM 0 HH11 ARG A 125 7.178 -4.741 14.989 1.00 35.14 H new ATOM 0 HH12 ARG A 125 6.784 -6.432 15.312 1.00 35.14 H new ATOM 0 HH21 ARG A 125 7.353 -6.185 18.783 1.00 72.42 H new ATOM 0 HH22 ARG A 125 6.883 -7.247 17.452 1.00 72.42 H new ATOM 1978 N LEU A 126 8.456 2.057 14.469 1.00 2.00 N ATOM 1979 CA LEU A 126 8.046 2.972 13.409 1.00 5.10 C ATOM 1980 C LEU A 126 9.087 3.016 12.295 1.00 71.35 C ATOM 1981 O LEU A 126 8.744 3.043 11.112 1.00 24.14 O ATOM 1982 CB LEU A 126 7.832 4.377 13.977 1.00 73.33 C ATOM 1983 CG LEU A 126 7.695 5.502 12.951 1.00 71.32 C ATOM 1984 CD1 LEU A 126 6.446 5.304 12.105 1.00 12.13 C ATOM 1985 CD2 LEU A 126 7.662 6.856 13.644 1.00 20.44 C ATOM 0 H LEU A 126 8.812 2.515 15.308 1.00 2.00 H new ATOM 0 HA LEU A 126 7.108 2.608 12.991 1.00 5.10 H new ATOM 0 HB2 LEU A 126 6.934 4.365 14.595 1.00 73.33 H new ATOM 0 HB3 LEU A 126 8.668 4.612 14.635 1.00 73.33 H new ATOM 0 HG LEU A 126 8.563 5.474 12.293 1.00 71.32 H new ATOM 0 HD11 LEU A 126 6.365 6.114 11.380 1.00 12.13 H new ATOM 0 HD12 LEU A 126 6.510 4.352 11.579 1.00 12.13 H new ATOM 0 HD13 LEU A 126 5.567 5.304 12.749 1.00 12.13 H new ATOM 0 HD21 LEU A 126 7.564 7.644 12.898 1.00 20.44 H new ATOM 0 HD22 LEU A 126 6.813 6.895 14.326 1.00 20.44 H new ATOM 0 HD23 LEU A 126 8.585 7.000 14.205 1.00 20.44 H new ATOM 1997 N LEU A 127 10.358 3.018 12.679 1.00 23.24 N ATOM 1998 CA LEU A 127 11.450 3.055 11.712 1.00 42.23 C ATOM 1999 C LEU A 127 11.426 1.821 10.817 1.00 73.41 C ATOM 2000 O LEU A 127 11.328 1.929 9.595 1.00 74.35 O ATOM 2001 CB LEU A 127 12.795 3.150 12.435 1.00 74.04 C ATOM 2002 CG LEU A 127 13.505 4.502 12.358 1.00 43.23 C ATOM 2003 CD1 LEU A 127 13.788 4.875 10.911 1.00 41.50 C ATOM 2004 CD2 LEU A 127 12.672 5.580 13.035 1.00 5.42 C ATOM 0 H LEU A 127 10.659 2.994 13.653 1.00 23.24 H new ATOM 0 HA LEU A 127 11.319 3.937 11.086 1.00 42.23 H new ATOM 0 HB2 LEU A 127 12.638 2.904 13.485 1.00 74.04 H new ATOM 0 HB3 LEU A 127 13.460 2.389 12.025 1.00 74.04 H new ATOM 0 HG LEU A 127 14.457 4.422 12.883 1.00 43.23 H new ATOM 0 HD11 LEU A 127 14.294 5.840 10.876 1.00 41.50 H new ATOM 0 HD12 LEU A 127 14.425 4.115 10.457 1.00 41.50 H new ATOM 0 HD13 LEU A 127 12.849 4.937 10.361 1.00 41.50 H new ATOM 0 HD21 LEU A 127 13.192 6.536 12.971 1.00 5.42 H new ATOM 0 HD22 LEU A 127 11.705 5.659 12.538 1.00 5.42 H new ATOM 0 HD23 LEU A 127 12.521 5.319 14.082 1.00 5.42 H new