USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1122 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 67 HIS : no HE2:sc= -0.277! C(o=1.5!,f=-13!) USER MOD Set 1.2: B 69 ASN : amide:sc= 1.76 K(o=1.5,f=-15!) USER MOD Set 2.1: B 9 HIS :FLIP no HD1:sc=-0.00145 X(o=0.21,f=0.59) USER MOD Set 2.2: B 37 HIS :FLIP no HE2:sc= 0.122 F(o=-1.3,f=0.59) USER MOD Set 2.3: B 40 THR OG1 : rot 87:sc= 0.469 USER MOD Set 3.1: A 69 ASN : amide:sc= 0.307 K(o=-3.2,f=-13!) USER MOD Set 3.2: B 67 HIS : no HE2:sc= -3.51! C(o=-3.2!,f=-9.1!) USER MOD Set 4.1: A 9 HIS : no HD1:sc= 0.243 K(o=-0.18,f=-2.3!) USER MOD Set 4.2: A 37 HIS : no HE2:sc= -0.426 K(o=-0.18,f=-3.5!) USER MOD Single : A 3 SER OG : rot -81:sc= 0.0187 USER MOD Single : A 4 LYS NZ :NH3+ -145:sc= 1.31 (180deg=0.468) USER MOD Single : A 8 TYR OH : rot 46:sc= 1.28 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.418 USER MOD Single : A 15 CYS SG : rot -80:sc= -2.2! USER MOD Single : A 17 SER OG : rot 73:sc= 0.157 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 24 ASN : amide:sc= 0.0908 K(o=0.091,f=-0.49) USER MOD Single : A 29 SER OG : rot -35:sc= 0.0513 USER MOD Single : A 30 LYS NZ :NH3+ -123:sc= 0.0672 (180deg=-0.0535) USER MOD Single : A 31 TYR OH : rot 80:sc= -0.191 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0333 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.133 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -165:sc= -0.024 (180deg=-0.239) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -122:sc= 0.102 USER MOD Single : A 78 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0312) USER MOD Single : B 3 SER OG : rot 132:sc= 1.26 USER MOD Single : B 4 LYS NZ :NH3+ 160:sc= 0.312 (180deg=0.163) USER MOD Single : B 8 TYR OH : rot 180:sc= 0 USER MOD Single : B 12 CYS SG : rot 180:sc= -1.69! USER MOD Single : B 15 CYS SG : rot 22:sc= -6.47! USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : B 24 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 154:sc= -0.0542 (180deg=-0.336) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 THR OG1 : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.101) USER MOD Single : B 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 55 SER OG : rot -6:sc= 0.277 USER MOD Single : B 78 LYS NZ :NH3+ -155:sc= 1.01 (180deg=0.327) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 29.057 14.864 -10.887 1.00 0.00 N ATOM 20 CA ALA A 2 29.377 14.342 -9.569 1.00 0.00 C ATOM 21 C ALA A 2 29.357 15.465 -8.543 1.00 0.00 C ATOM 22 O ALA A 2 30.381 16.091 -8.259 1.00 0.00 O ATOM 23 CB ALA A 2 30.726 13.635 -9.579 1.00 0.00 C ATOM 0 HA ALA A 2 28.621 13.608 -9.292 1.00 0.00 H new ATOM 0 HB1 ALA A 2 30.944 13.253 -8.582 1.00 0.00 H new ATOM 0 HB2 ALA A 2 30.697 12.807 -10.287 1.00 0.00 H new ATOM 0 HB3 ALA A 2 31.504 14.339 -9.876 1.00 0.00 H new ATOM 29 N SER A 3 28.176 15.733 -8.018 1.00 0.00 N ATOM 30 CA SER A 3 27.981 16.816 -7.076 1.00 0.00 C ATOM 31 C SER A 3 27.951 16.302 -5.641 1.00 0.00 C ATOM 32 O SER A 3 27.911 15.090 -5.405 1.00 0.00 O ATOM 33 CB SER A 3 26.686 17.552 -7.416 1.00 0.00 C ATOM 34 OG SER A 3 25.670 16.638 -7.800 1.00 0.00 O ATOM 0 H SER A 3 27.328 15.207 -8.232 1.00 0.00 H new ATOM 0 HA SER A 3 28.820 17.507 -7.154 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.354 18.130 -6.553 1.00 0.00 H new ATOM 0 HB3 SER A 3 26.867 18.261 -8.224 1.00 0.00 H new ATOM 0 HG SER A 3 25.794 16.387 -8.739 1.00 0.00 H new ATOM 40 N LYS A 4 27.980 17.230 -4.693 1.00 0.00 N ATOM 41 CA LYS A 4 27.991 16.897 -3.276 1.00 0.00 C ATOM 42 C LYS A 4 26.626 16.374 -2.827 1.00 0.00 C ATOM 43 O LYS A 4 25.630 17.101 -2.855 1.00 0.00 O ATOM 44 CB LYS A 4 28.369 18.137 -2.460 1.00 0.00 C ATOM 45 CG LYS A 4 28.639 17.852 -0.992 1.00 0.00 C ATOM 46 CD LYS A 4 29.945 17.096 -0.802 1.00 0.00 C ATOM 47 CE LYS A 4 30.199 16.795 0.665 1.00 0.00 C ATOM 48 NZ LYS A 4 31.505 16.115 0.879 1.00 0.00 N ATOM 0 H LYS A 4 27.997 18.232 -4.885 1.00 0.00 H new ATOM 0 HA LYS A 4 28.728 16.111 -3.110 1.00 0.00 H new ATOM 0 HB2 LYS A 4 29.256 18.593 -2.900 1.00 0.00 H new ATOM 0 HB3 LYS A 4 27.564 18.868 -2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 4 28.677 18.791 -0.439 1.00 0.00 H new ATOM 0 HG3 LYS A 4 27.817 17.270 -0.576 1.00 0.00 H new ATOM 0 HD2 LYS A 4 29.914 16.164 -1.367 1.00 0.00 H new ATOM 0 HD3 LYS A 4 30.770 17.684 -1.203 1.00 0.00 H new ATOM 0 HE2 LYS A 4 30.177 17.724 1.234 1.00 0.00 H new ATOM 0 HE3 LYS A 4 29.396 16.166 1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 31.418 15.434 1.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 31.782 15.613 0.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 32.230 16.822 1.116 1.00 0.00 H new ATOM 62 N ALA A 5 26.586 15.108 -2.433 1.00 0.00 N ATOM 63 CA ALA A 5 25.370 14.506 -1.908 1.00 0.00 C ATOM 64 C ALA A 5 25.643 13.864 -0.553 1.00 0.00 C ATOM 65 O ALA A 5 26.329 12.845 -0.463 1.00 0.00 O ATOM 66 CB ALA A 5 24.819 13.480 -2.885 1.00 0.00 C ATOM 0 H ALA A 5 27.386 14.477 -2.468 1.00 0.00 H new ATOM 0 HA ALA A 5 24.622 15.288 -1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 5 23.910 13.040 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 5 24.592 13.966 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 5 25.560 12.697 -3.047 1.00 0.00 H new ATOM 72 N ILE A 6 25.119 14.471 0.501 1.00 0.00 N ATOM 73 CA ILE A 6 25.334 13.977 1.855 1.00 0.00 C ATOM 74 C ILE A 6 24.158 13.126 2.316 1.00 0.00 C ATOM 75 O ILE A 6 23.006 13.519 2.172 1.00 0.00 O ATOM 76 CB ILE A 6 25.543 15.138 2.854 1.00 0.00 C ATOM 77 CG1 ILE A 6 26.863 15.860 2.575 1.00 0.00 C ATOM 78 CG2 ILE A 6 25.517 14.629 4.290 1.00 0.00 C ATOM 79 CD1 ILE A 6 28.085 15.003 2.829 1.00 0.00 C ATOM 0 H ILE A 6 24.540 15.309 0.446 1.00 0.00 H new ATOM 0 HA ILE A 6 26.236 13.366 1.832 1.00 0.00 H new ATOM 0 HB ILE A 6 24.724 15.845 2.723 1.00 0.00 H new ATOM 0 HG12 ILE A 6 26.873 16.195 1.538 1.00 0.00 H new ATOM 0 HG13 ILE A 6 26.919 16.752 3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 6 25.666 15.464 4.975 1.00 0.00 H new ATOM 0 HG22 ILE A 6 24.554 14.161 4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 6 26.313 13.897 4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 6 28.985 15.578 2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 6 28.099 14.690 3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 6 28.052 14.123 2.186 1.00 0.00 H new ATOM 91 N PHE A 7 24.449 11.963 2.869 1.00 0.00 N ATOM 92 CA PHE A 7 23.408 11.093 3.391 1.00 0.00 C ATOM 93 C PHE A 7 23.508 11.019 4.911 1.00 0.00 C ATOM 94 O PHE A 7 24.382 10.345 5.452 1.00 0.00 O ATOM 95 CB PHE A 7 23.523 9.697 2.772 1.00 0.00 C ATOM 96 CG PHE A 7 22.364 8.788 3.080 1.00 0.00 C ATOM 97 CD1 PHE A 7 21.190 8.871 2.348 1.00 0.00 C ATOM 98 CD2 PHE A 7 22.451 7.845 4.094 1.00 0.00 C ATOM 99 CE1 PHE A 7 20.126 8.034 2.623 1.00 0.00 C ATOM 100 CE2 PHE A 7 21.389 7.005 4.372 1.00 0.00 C ATOM 101 CZ PHE A 7 20.225 7.100 3.635 1.00 0.00 C ATOM 0 H PHE A 7 25.396 11.598 2.969 1.00 0.00 H new ATOM 0 HA PHE A 7 22.434 11.504 3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 7 23.614 9.798 1.690 1.00 0.00 H new ATOM 0 HB3 PHE A 7 24.441 9.229 3.127 1.00 0.00 H new ATOM 0 HD1 PHE A 7 21.106 9.598 1.554 1.00 0.00 H new ATOM 0 HD2 PHE A 7 23.359 7.766 4.673 1.00 0.00 H new ATOM 0 HE1 PHE A 7 19.216 8.110 2.046 1.00 0.00 H new ATOM 0 HE2 PHE A 7 21.469 6.276 5.164 1.00 0.00 H new ATOM 0 HZ PHE A 7 19.394 6.445 3.850 1.00 0.00 H new ATOM 111 N TYR A 8 22.631 11.741 5.592 1.00 0.00 N ATOM 112 CA TYR A 8 22.605 11.739 7.050 1.00 0.00 C ATOM 113 C TYR A 8 21.746 10.593 7.566 1.00 0.00 C ATOM 114 O TYR A 8 20.620 10.399 7.105 1.00 0.00 O ATOM 115 CB TYR A 8 22.042 13.058 7.590 1.00 0.00 C ATOM 116 CG TYR A 8 22.987 14.241 7.516 1.00 0.00 C ATOM 117 CD1 TYR A 8 24.071 14.344 8.378 1.00 0.00 C ATOM 118 CD2 TYR A 8 22.773 15.270 6.608 1.00 0.00 C ATOM 119 CE1 TYR A 8 24.916 15.439 8.339 1.00 0.00 C ATOM 120 CE2 TYR A 8 23.617 16.366 6.557 1.00 0.00 C ATOM 121 CZ TYR A 8 24.685 16.446 7.426 1.00 0.00 C ATOM 122 OH TYR A 8 25.521 17.539 7.386 1.00 0.00 O ATOM 0 H TYR A 8 21.926 12.337 5.159 1.00 0.00 H new ATOM 0 HA TYR A 8 23.631 11.616 7.396 1.00 0.00 H new ATOM 0 HB2 TYR A 8 21.136 13.302 7.036 1.00 0.00 H new ATOM 0 HB3 TYR A 8 21.750 12.911 8.630 1.00 0.00 H new ATOM 0 HD1 TYR A 8 24.258 13.555 9.092 1.00 0.00 H new ATOM 0 HD2 TYR A 8 21.934 15.214 5.930 1.00 0.00 H new ATOM 0 HE1 TYR A 8 25.752 15.505 9.020 1.00 0.00 H new ATOM 0 HE2 TYR A 8 23.440 17.154 5.840 1.00 0.00 H new ATOM 0 HH TYR A 8 26.453 17.239 7.416 1.00 0.00 H new ATOM 132 N HIS A 9 22.273 9.834 8.515 1.00 0.00 N ATOM 133 CA HIS A 9 21.501 8.780 9.160 1.00 0.00 C ATOM 134 C HIS A 9 22.040 8.519 10.563 1.00 0.00 C ATOM 135 O HIS A 9 23.135 8.963 10.903 1.00 0.00 O ATOM 136 CB HIS A 9 21.517 7.492 8.322 1.00 0.00 C ATOM 137 CG HIS A 9 22.814 6.742 8.350 1.00 0.00 C ATOM 138 ND1 HIS A 9 22.900 5.500 8.926 1.00 0.00 N ATOM 139 CD2 HIS A 9 24.025 7.087 7.856 1.00 0.00 C ATOM 140 CE1 HIS A 9 24.155 5.116 8.768 1.00 0.00 C ATOM 141 NE2 HIS A 9 24.875 6.045 8.126 1.00 0.00 N ATOM 0 H HIS A 9 23.230 9.927 8.856 1.00 0.00 H new ATOM 0 HA HIS A 9 20.466 9.111 9.239 1.00 0.00 H new ATOM 0 HB2 HIS A 9 20.725 6.834 8.678 1.00 0.00 H new ATOM 0 HB3 HIS A 9 21.281 7.745 7.288 1.00 0.00 H new ATOM 0 HD2 HIS A 9 24.275 8.006 7.347 1.00 0.00 H new ATOM 0 HE1 HIS A 9 24.550 4.172 9.113 1.00 0.00 H new ATOM 0 HE2 HIS A 9 25.864 5.989 7.884 1.00 0.00 H new ATOM 149 N ALA A 10 21.273 7.803 11.373 1.00 0.00 N ATOM 150 CA ALA A 10 21.667 7.535 12.750 1.00 0.00 C ATOM 151 C ALA A 10 22.009 6.063 12.954 1.00 0.00 C ATOM 152 O ALA A 10 22.204 5.615 14.082 1.00 0.00 O ATOM 153 CB ALA A 10 20.559 7.960 13.702 1.00 0.00 C ATOM 0 H ALA A 10 20.377 7.398 11.102 1.00 0.00 H new ATOM 0 HA ALA A 10 22.564 8.116 12.965 1.00 0.00 H new ATOM 0 HB1 ALA A 10 20.863 7.756 14.729 1.00 0.00 H new ATOM 0 HB2 ALA A 10 20.369 9.027 13.586 1.00 0.00 H new ATOM 0 HB3 ALA A 10 19.650 7.402 13.475 1.00 0.00 H new ATOM 159 N GLY A 11 22.096 5.319 11.857 1.00 0.00 N ATOM 160 CA GLY A 11 22.397 3.902 11.945 1.00 0.00 C ATOM 161 C GLY A 11 21.206 3.087 12.404 1.00 0.00 C ATOM 162 O GLY A 11 21.357 2.093 13.111 1.00 0.00 O ATOM 0 H GLY A 11 21.964 5.671 10.909 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.726 3.542 10.970 1.00 0.00 H new ATOM 0 HA3 GLY A 11 23.225 3.751 12.637 1.00 0.00 H new ATOM 166 N CYS A 12 20.020 3.517 12.013 1.00 0.00 N ATOM 167 CA CYS A 12 18.797 2.809 12.356 1.00 0.00 C ATOM 168 C CYS A 12 18.420 1.848 11.230 1.00 0.00 C ATOM 169 O CYS A 12 18.864 2.025 10.095 1.00 0.00 O ATOM 170 CB CYS A 12 17.671 3.818 12.586 1.00 0.00 C ATOM 171 SG CYS A 12 18.094 5.134 13.748 1.00 0.00 S ATOM 0 H CYS A 12 19.876 4.358 11.454 1.00 0.00 H new ATOM 0 HA CYS A 12 18.955 2.235 13.269 1.00 0.00 H new ATOM 0 HB2 CYS A 12 17.396 4.265 11.631 1.00 0.00 H new ATOM 0 HB3 CYS A 12 16.792 3.289 12.955 1.00 0.00 H new ATOM 0 HG CYS A 12 17.082 5.940 13.878 1.00 0.00 H new ATOM 177 N PRO A 13 17.609 0.817 11.520 1.00 0.00 N ATOM 178 CA PRO A 13 17.130 -0.127 10.500 1.00 0.00 C ATOM 179 C PRO A 13 16.494 0.588 9.309 1.00 0.00 C ATOM 180 O PRO A 13 16.712 0.213 8.154 1.00 0.00 O ATOM 181 CB PRO A 13 16.087 -0.958 11.247 1.00 0.00 C ATOM 182 CG PRO A 13 16.507 -0.893 12.675 1.00 0.00 C ATOM 183 CD PRO A 13 17.114 0.470 12.866 1.00 0.00 C ATOM 0 HA PRO A 13 17.940 -0.721 10.077 1.00 0.00 H new ATOM 0 HB2 PRO A 13 15.085 -0.552 11.110 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.067 -1.986 10.886 1.00 0.00 H new ATOM 0 HG2 PRO A 13 15.655 -1.037 13.339 1.00 0.00 H new ATOM 0 HG3 PRO A 13 17.228 -1.677 12.906 1.00 0.00 H new ATOM 0 HD2 PRO A 13 16.378 1.191 13.221 1.00 0.00 H new ATOM 0 HD3 PRO A 13 17.921 0.451 13.598 1.00 0.00 H new ATOM 191 N VAL A 14 15.723 1.633 9.599 1.00 0.00 N ATOM 192 CA VAL A 14 15.102 2.447 8.560 1.00 0.00 C ATOM 193 C VAL A 14 16.168 3.099 7.680 1.00 0.00 C ATOM 194 O VAL A 14 16.001 3.221 6.465 1.00 0.00 O ATOM 195 CB VAL A 14 14.194 3.540 9.171 1.00 0.00 C ATOM 196 CG1 VAL A 14 13.545 4.385 8.084 1.00 0.00 C ATOM 197 CG2 VAL A 14 13.133 2.917 10.066 1.00 0.00 C ATOM 0 H VAL A 14 15.513 1.936 10.550 1.00 0.00 H new ATOM 0 HA VAL A 14 14.486 1.786 7.950 1.00 0.00 H new ATOM 0 HB VAL A 14 14.820 4.194 9.778 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.913 5.145 8.543 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.319 4.869 7.488 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.938 3.747 7.441 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.505 3.702 10.486 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.518 2.234 9.480 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.616 2.367 10.874 1.00 0.00 H new ATOM 207 N CYS A 15 17.277 3.490 8.299 1.00 0.00 N ATOM 208 CA CYS A 15 18.379 4.108 7.577 1.00 0.00 C ATOM 209 C CYS A 15 19.032 3.097 6.641 1.00 0.00 C ATOM 210 O CYS A 15 19.400 3.428 5.515 1.00 0.00 O ATOM 211 CB CYS A 15 19.411 4.669 8.558 1.00 0.00 C ATOM 212 SG CYS A 15 18.729 5.841 9.758 1.00 0.00 S ATOM 0 H CYS A 15 17.435 3.389 9.302 1.00 0.00 H new ATOM 0 HA CYS A 15 17.985 4.931 6.980 1.00 0.00 H new ATOM 0 HB2 CYS A 15 19.872 3.841 9.097 1.00 0.00 H new ATOM 0 HB3 CYS A 15 20.202 5.162 7.994 1.00 0.00 H new ATOM 0 HG CYS A 15 18.602 7.008 9.200 1.00 0.00 H new ATOM 218 N VAL A 16 19.150 1.859 7.112 1.00 0.00 N ATOM 219 CA VAL A 16 19.715 0.780 6.308 1.00 0.00 C ATOM 220 C VAL A 16 18.862 0.544 5.065 1.00 0.00 C ATOM 221 O VAL A 16 19.383 0.426 3.954 1.00 0.00 O ATOM 222 CB VAL A 16 19.817 -0.533 7.117 1.00 0.00 C ATOM 223 CG1 VAL A 16 20.458 -1.636 6.287 1.00 0.00 C ATOM 224 CG2 VAL A 16 20.599 -0.311 8.403 1.00 0.00 C ATOM 0 H VAL A 16 18.861 1.578 8.049 1.00 0.00 H new ATOM 0 HA VAL A 16 20.719 1.082 6.012 1.00 0.00 H new ATOM 0 HB VAL A 16 18.806 -0.848 7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 16 20.518 -2.549 6.879 1.00 0.00 H new ATOM 0 HG12 VAL A 16 19.855 -1.819 5.398 1.00 0.00 H new ATOM 0 HG13 VAL A 16 21.461 -1.331 5.989 1.00 0.00 H new ATOM 0 HG21 VAL A 16 20.660 -1.247 8.958 1.00 0.00 H new ATOM 0 HG22 VAL A 16 21.605 0.034 8.162 1.00 0.00 H new ATOM 0 HG23 VAL A 16 20.094 0.439 9.011 1.00 0.00 H new ATOM 234 N SER A 17 17.548 0.497 5.258 1.00 0.00 N ATOM 235 CA SER A 17 16.620 0.305 4.153 1.00 0.00 C ATOM 236 C SER A 17 16.730 1.451 3.146 1.00 0.00 C ATOM 237 O SER A 17 16.792 1.224 1.936 1.00 0.00 O ATOM 238 CB SER A 17 15.188 0.208 4.682 1.00 0.00 C ATOM 239 OG SER A 17 15.076 -0.812 5.663 1.00 0.00 O ATOM 0 H SER A 17 17.103 0.590 6.171 1.00 0.00 H new ATOM 0 HA SER A 17 16.878 -0.625 3.645 1.00 0.00 H new ATOM 0 HB2 SER A 17 14.889 1.164 5.111 1.00 0.00 H new ATOM 0 HB3 SER A 17 14.505 0.001 3.858 1.00 0.00 H new ATOM 0 HG SER A 17 15.502 -0.515 6.494 1.00 0.00 H new ATOM 245 N ALA A 18 16.774 2.678 3.655 1.00 0.00 N ATOM 246 CA ALA A 18 16.868 3.858 2.804 1.00 0.00 C ATOM 247 C ALA A 18 18.180 3.867 2.027 1.00 0.00 C ATOM 248 O ALA A 18 18.213 4.245 0.854 1.00 0.00 O ATOM 249 CB ALA A 18 16.735 5.123 3.636 1.00 0.00 C ATOM 0 H ALA A 18 16.746 2.881 4.654 1.00 0.00 H new ATOM 0 HA ALA A 18 16.049 3.825 2.085 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.807 5.995 2.986 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.769 5.126 4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.533 5.156 4.378 1.00 0.00 H new ATOM 255 N GLU A 19 19.255 3.445 2.683 1.00 0.00 N ATOM 256 CA GLU A 19 20.562 3.370 2.045 1.00 0.00 C ATOM 257 C GLU A 19 20.548 2.365 0.901 1.00 0.00 C ATOM 258 O GLU A 19 20.777 2.720 -0.252 1.00 0.00 O ATOM 259 CB GLU A 19 21.638 2.972 3.061 1.00 0.00 C ATOM 260 CG GLU A 19 23.009 2.761 2.436 1.00 0.00 C ATOM 261 CD GLU A 19 24.004 2.147 3.398 1.00 0.00 C ATOM 262 OE1 GLU A 19 23.880 0.941 3.699 1.00 0.00 O ATOM 263 OE2 GLU A 19 24.912 2.865 3.858 1.00 0.00 O ATOM 0 H GLU A 19 19.246 3.149 3.659 1.00 0.00 H new ATOM 0 HA GLU A 19 20.795 4.358 1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 19 21.710 3.746 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 19 21.331 2.055 3.564 1.00 0.00 H new ATOM 0 HG2 GLU A 19 22.910 2.117 1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 19 23.394 3.718 2.084 1.00 0.00 H new ATOM 270 N GLN A 20 20.238 1.117 1.223 1.00 0.00 N ATOM 271 CA GLN A 20 20.356 0.022 0.267 1.00 0.00 C ATOM 272 C GLN A 20 19.327 0.117 -0.856 1.00 0.00 C ATOM 273 O GLN A 20 19.437 -0.581 -1.865 1.00 0.00 O ATOM 274 CB GLN A 20 20.234 -1.318 0.986 1.00 0.00 C ATOM 275 CG GLN A 20 21.307 -1.521 2.040 1.00 0.00 C ATOM 276 CD GLN A 20 21.240 -2.882 2.696 1.00 0.00 C ATOM 277 OE1 GLN A 20 20.171 -3.479 2.817 1.00 0.00 O ATOM 278 NE2 GLN A 20 22.388 -3.379 3.122 1.00 0.00 N ATOM 0 H GLN A 20 19.901 0.835 2.144 1.00 0.00 H new ATOM 0 HA GLN A 20 21.341 0.099 -0.194 1.00 0.00 H new ATOM 0 HB2 GLN A 20 19.253 -1.385 1.456 1.00 0.00 H new ATOM 0 HB3 GLN A 20 20.293 -2.124 0.255 1.00 0.00 H new ATOM 0 HG2 GLN A 20 22.288 -1.392 1.582 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.209 -0.750 2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 20 23.250 -2.848 3.000 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.412 -4.294 3.573 1.00 0.00 H new ATOM 287 N ALA A 21 18.334 0.974 -0.687 1.00 0.00 N ATOM 288 CA ALA A 21 17.346 1.185 -1.731 1.00 0.00 C ATOM 289 C ALA A 21 17.620 2.471 -2.505 1.00 0.00 C ATOM 290 O ALA A 21 17.924 2.431 -3.694 1.00 0.00 O ATOM 291 CB ALA A 21 15.946 1.205 -1.142 1.00 0.00 C ATOM 0 H ALA A 21 18.191 1.531 0.156 1.00 0.00 H new ATOM 0 HA ALA A 21 17.419 0.353 -2.432 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.219 1.364 -1.938 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.744 0.253 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 21 15.869 2.012 -0.414 1.00 0.00 H new ATOM 297 N VAL A 22 17.541 3.607 -1.822 1.00 0.00 N ATOM 298 CA VAL A 22 17.640 4.905 -2.481 1.00 0.00 C ATOM 299 C VAL A 22 19.092 5.278 -2.771 1.00 0.00 C ATOM 300 O VAL A 22 19.454 5.544 -3.917 1.00 0.00 O ATOM 301 CB VAL A 22 16.992 6.021 -1.632 1.00 0.00 C ATOM 302 CG1 VAL A 22 17.020 7.350 -2.373 1.00 0.00 C ATOM 303 CG2 VAL A 22 15.566 5.646 -1.252 1.00 0.00 C ATOM 0 H VAL A 22 17.409 3.656 -0.812 1.00 0.00 H new ATOM 0 HA VAL A 22 17.101 4.815 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 22 17.572 6.132 -0.716 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.558 8.121 -1.756 1.00 0.00 H new ATOM 0 HG12 VAL A 22 18.053 7.626 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.469 7.256 -3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 22 15.127 6.445 -0.654 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.974 5.502 -2.156 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.575 4.722 -0.673 1.00 0.00 H new ATOM 313 N ALA A 23 19.922 5.283 -1.735 1.00 0.00 N ATOM 314 CA ALA A 23 21.318 5.692 -1.879 1.00 0.00 C ATOM 315 C ALA A 23 22.095 4.706 -2.746 1.00 0.00 C ATOM 316 O ALA A 23 23.010 5.085 -3.471 1.00 0.00 O ATOM 317 CB ALA A 23 21.972 5.830 -0.513 1.00 0.00 C ATOM 0 H ALA A 23 19.656 5.010 -0.789 1.00 0.00 H new ATOM 0 HA ALA A 23 21.336 6.662 -2.376 1.00 0.00 H new ATOM 0 HB1 ALA A 23 23.011 6.135 -0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 23 21.440 6.581 0.071 1.00 0.00 H new ATOM 0 HB3 ALA A 23 21.934 4.873 0.007 1.00 0.00 H new ATOM 323 N ASN A 24 21.711 3.442 -2.665 1.00 0.00 N ATOM 324 CA ASN A 24 22.343 2.387 -3.447 1.00 0.00 C ATOM 325 C ASN A 24 21.919 2.473 -4.911 1.00 0.00 C ATOM 326 O ASN A 24 22.679 2.114 -5.813 1.00 0.00 O ATOM 327 CB ASN A 24 21.974 1.022 -2.865 1.00 0.00 C ATOM 328 CG ASN A 24 22.672 -0.133 -3.555 1.00 0.00 C ATOM 329 OD1 ASN A 24 23.800 -0.004 -4.030 1.00 0.00 O ATOM 330 ND2 ASN A 24 22.000 -1.272 -3.605 1.00 0.00 N ATOM 0 H ASN A 24 20.957 3.118 -2.059 1.00 0.00 H new ATOM 0 HA ASN A 24 23.424 2.515 -3.400 1.00 0.00 H new ATOM 0 HB2 ASN A 24 22.225 1.007 -1.804 1.00 0.00 H new ATOM 0 HB3 ASN A 24 20.896 0.883 -2.940 1.00 0.00 H new ATOM 0 HD21 ASN A 24 22.415 -2.090 -4.051 1.00 0.00 H new ATOM 0 HD22 ASN A 24 21.067 -1.332 -3.197 1.00 0.00 H new ATOM 337 N ALA A 25 20.699 2.949 -5.143 1.00 0.00 N ATOM 338 CA ALA A 25 20.210 3.150 -6.499 1.00 0.00 C ATOM 339 C ALA A 25 21.000 4.251 -7.188 1.00 0.00 C ATOM 340 O ALA A 25 21.220 4.210 -8.398 1.00 0.00 O ATOM 341 CB ALA A 25 18.727 3.484 -6.496 1.00 0.00 C ATOM 0 H ALA A 25 20.035 3.201 -4.411 1.00 0.00 H new ATOM 0 HA ALA A 25 20.348 2.221 -7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 25 18.385 3.630 -7.521 1.00 0.00 H new ATOM 0 HB2 ALA A 25 18.170 2.665 -6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 25 18.561 4.397 -5.925 1.00 0.00 H new ATOM 347 N ILE A 26 21.429 5.230 -6.409 1.00 0.00 N ATOM 348 CA ILE A 26 22.245 6.313 -6.929 1.00 0.00 C ATOM 349 C ILE A 26 23.689 5.853 -7.093 1.00 0.00 C ATOM 350 O ILE A 26 24.339 5.453 -6.127 1.00 0.00 O ATOM 351 CB ILE A 26 22.196 7.550 -6.006 1.00 0.00 C ATOM 352 CG1 ILE A 26 20.752 8.039 -5.852 1.00 0.00 C ATOM 353 CG2 ILE A 26 23.082 8.662 -6.555 1.00 0.00 C ATOM 354 CD1 ILE A 26 20.604 9.221 -4.917 1.00 0.00 C ATOM 0 H ILE A 26 21.225 5.296 -5.412 1.00 0.00 H new ATOM 0 HA ILE A 26 21.840 6.595 -7.901 1.00 0.00 H new ATOM 0 HB ILE A 26 22.573 7.266 -5.024 1.00 0.00 H new ATOM 0 HG12 ILE A 26 20.364 8.313 -6.833 1.00 0.00 H new ATOM 0 HG13 ILE A 26 20.137 7.217 -5.484 1.00 0.00 H new ATOM 0 HG21 ILE A 26 23.035 9.526 -5.892 1.00 0.00 H new ATOM 0 HG22 ILE A 26 24.111 8.309 -6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 26 22.734 8.948 -7.548 1.00 0.00 H new ATOM 0 HD11 ILE A 26 19.555 9.510 -4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 26 20.960 8.946 -3.924 1.00 0.00 H new ATOM 0 HD13 ILE A 26 21.191 10.059 -5.294 1.00 0.00 H new ATOM 366 N ASP A 27 24.178 5.888 -8.324 1.00 0.00 N ATOM 367 CA ASP A 27 25.539 5.462 -8.617 1.00 0.00 C ATOM 368 C ASP A 27 26.544 6.442 -8.031 1.00 0.00 C ATOM 369 O ASP A 27 26.459 7.647 -8.276 1.00 0.00 O ATOM 370 CB ASP A 27 25.777 5.376 -10.128 1.00 0.00 C ATOM 371 CG ASP A 27 24.692 4.624 -10.865 1.00 0.00 C ATOM 372 OD1 ASP A 27 24.802 3.389 -11.013 1.00 0.00 O ATOM 373 OD2 ASP A 27 23.730 5.272 -11.322 1.00 0.00 O ATOM 0 H ASP A 27 23.652 6.207 -9.137 1.00 0.00 H new ATOM 0 HA ASP A 27 25.672 4.477 -8.170 1.00 0.00 H new ATOM 0 HB2 ASP A 27 25.850 6.385 -10.535 1.00 0.00 H new ATOM 0 HB3 ASP A 27 26.735 4.888 -10.310 1.00 0.00 H new ATOM 378 N PRO A 28 27.520 5.943 -7.261 1.00 0.00 N ATOM 379 CA PRO A 28 28.638 6.755 -6.775 1.00 0.00 C ATOM 380 C PRO A 28 29.576 7.139 -7.919 1.00 0.00 C ATOM 381 O PRO A 28 30.557 7.859 -7.733 1.00 0.00 O ATOM 382 CB PRO A 28 29.354 5.840 -5.769 1.00 0.00 C ATOM 383 CG PRO A 28 28.418 4.703 -5.523 1.00 0.00 C ATOM 384 CD PRO A 28 27.603 4.559 -6.774 1.00 0.00 C ATOM 0 HA PRO A 28 28.308 7.694 -6.330 1.00 0.00 H new ATOM 0 HB2 PRO A 28 30.304 5.486 -6.169 1.00 0.00 H new ATOM 0 HB3 PRO A 28 29.576 6.372 -4.844 1.00 0.00 H new ATOM 0 HG2 PRO A 28 28.966 3.786 -5.307 1.00 0.00 H new ATOM 0 HG3 PRO A 28 27.780 4.903 -4.662 1.00 0.00 H new ATOM 0 HD2 PRO A 28 28.084 3.902 -7.498 1.00 0.00 H new ATOM 0 HD3 PRO A 28 26.617 4.141 -6.570 1.00 0.00 H new ATOM 392 N SER A 29 29.267 6.625 -9.104 1.00 0.00 N ATOM 393 CA SER A 29 29.987 6.969 -10.319 1.00 0.00 C ATOM 394 C SER A 29 29.244 8.089 -11.048 1.00 0.00 C ATOM 395 O SER A 29 29.726 8.642 -12.038 1.00 0.00 O ATOM 396 CB SER A 29 30.109 5.725 -11.211 1.00 0.00 C ATOM 397 OG SER A 29 30.997 5.930 -12.298 1.00 0.00 O ATOM 0 H SER A 29 28.509 5.958 -9.247 1.00 0.00 H new ATOM 0 HA SER A 29 30.990 7.318 -10.072 1.00 0.00 H new ATOM 0 HB2 SER A 29 30.458 4.884 -10.612 1.00 0.00 H new ATOM 0 HB3 SER A 29 29.124 5.457 -11.594 1.00 0.00 H new ATOM 0 HG SER A 29 30.920 6.855 -12.613 1.00 0.00 H new ATOM 403 N LYS A 30 28.065 8.420 -10.538 1.00 0.00 N ATOM 404 CA LYS A 30 27.242 9.468 -11.118 1.00 0.00 C ATOM 405 C LYS A 30 27.235 10.686 -10.199 1.00 0.00 C ATOM 406 O LYS A 30 27.496 11.804 -10.633 1.00 0.00 O ATOM 407 CB LYS A 30 25.816 8.955 -11.337 1.00 0.00 C ATOM 408 CG LYS A 30 24.942 9.886 -12.161 1.00 0.00 C ATOM 409 CD LYS A 30 23.521 9.353 -12.274 1.00 0.00 C ATOM 410 CE LYS A 30 22.649 10.251 -13.137 1.00 0.00 C ATOM 411 NZ LYS A 30 23.043 10.202 -14.568 1.00 0.00 N ATOM 0 H LYS A 30 27.657 7.973 -9.717 1.00 0.00 H new ATOM 0 HA LYS A 30 27.658 9.758 -12.083 1.00 0.00 H new ATOM 0 HB2 LYS A 30 25.862 7.985 -11.832 1.00 0.00 H new ATOM 0 HB3 LYS A 30 25.345 8.796 -10.367 1.00 0.00 H new ATOM 0 HG2 LYS A 30 24.927 10.875 -11.702 1.00 0.00 H new ATOM 0 HG3 LYS A 30 25.369 10.003 -13.157 1.00 0.00 H new ATOM 0 HD2 LYS A 30 23.542 8.349 -12.699 1.00 0.00 H new ATOM 0 HD3 LYS A 30 23.084 9.269 -11.279 1.00 0.00 H new ATOM 0 HE2 LYS A 30 21.607 9.948 -13.038 1.00 0.00 H new ATOM 0 HE3 LYS A 30 22.718 11.278 -12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 23.269 11.162 -14.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 23.879 9.592 -14.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.258 9.817 -15.131 1.00 0.00 H new ATOM 425 N TYR A 31 26.945 10.455 -8.924 1.00 0.00 N ATOM 426 CA TYR A 31 26.966 11.519 -7.926 1.00 0.00 C ATOM 427 C TYR A 31 27.913 11.145 -6.794 1.00 0.00 C ATOM 428 O TYR A 31 28.185 9.965 -6.568 1.00 0.00 O ATOM 429 CB TYR A 31 25.562 11.769 -7.361 1.00 0.00 C ATOM 430 CG TYR A 31 24.539 12.199 -8.394 1.00 0.00 C ATOM 431 CD1 TYR A 31 24.525 13.495 -8.893 1.00 0.00 C ATOM 432 CD2 TYR A 31 23.584 11.306 -8.866 1.00 0.00 C ATOM 433 CE1 TYR A 31 23.591 13.888 -9.833 1.00 0.00 C ATOM 434 CE2 TYR A 31 22.647 11.692 -9.804 1.00 0.00 C ATOM 435 CZ TYR A 31 22.654 12.982 -10.286 1.00 0.00 C ATOM 436 OH TYR A 31 21.724 13.364 -11.225 1.00 0.00 O ATOM 0 H TYR A 31 26.692 9.538 -8.556 1.00 0.00 H new ATOM 0 HA TYR A 31 27.312 12.433 -8.408 1.00 0.00 H new ATOM 0 HB2 TYR A 31 25.211 10.858 -6.877 1.00 0.00 H new ATOM 0 HB3 TYR A 31 25.625 12.536 -6.589 1.00 0.00 H new ATOM 0 HD1 TYR A 31 25.256 14.208 -8.541 1.00 0.00 H new ATOM 0 HD2 TYR A 31 23.575 10.293 -8.493 1.00 0.00 H new ATOM 0 HE1 TYR A 31 23.595 14.900 -10.211 1.00 0.00 H new ATOM 0 HE2 TYR A 31 21.911 10.985 -10.158 1.00 0.00 H new ATOM 0 HH TYR A 31 22.133 13.349 -12.115 1.00 0.00 H new ATOM 446 N THR A 32 28.414 12.142 -6.080 1.00 0.00 N ATOM 447 CA THR A 32 29.312 11.893 -4.967 1.00 0.00 C ATOM 448 C THR A 32 28.518 11.723 -3.677 1.00 0.00 C ATOM 449 O THR A 32 28.204 12.698 -2.991 1.00 0.00 O ATOM 450 CB THR A 32 30.336 13.030 -4.810 1.00 0.00 C ATOM 451 OG1 THR A 32 30.983 13.267 -6.068 1.00 0.00 O ATOM 452 CG2 THR A 32 31.383 12.684 -3.761 1.00 0.00 C ATOM 0 H THR A 32 28.214 13.127 -6.252 1.00 0.00 H new ATOM 0 HA THR A 32 29.858 10.973 -5.176 1.00 0.00 H new ATOM 0 HB THR A 32 29.807 13.926 -4.486 1.00 0.00 H new ATOM 0 HG1 THR A 32 31.634 13.992 -5.969 1.00 0.00 H new ATOM 0 HG21 THR A 32 32.094 13.506 -3.671 1.00 0.00 H new ATOM 0 HG22 THR A 32 30.895 12.520 -2.800 1.00 0.00 H new ATOM 0 HG23 THR A 32 31.911 11.778 -4.059 1.00 0.00 H new ATOM 460 N VAL A 33 28.174 10.479 -3.372 1.00 0.00 N ATOM 461 CA VAL A 33 27.372 10.170 -2.198 1.00 0.00 C ATOM 462 C VAL A 33 28.261 9.952 -0.978 1.00 0.00 C ATOM 463 O VAL A 33 28.993 8.962 -0.894 1.00 0.00 O ATOM 464 CB VAL A 33 26.501 8.916 -2.427 1.00 0.00 C ATOM 465 CG1 VAL A 33 25.584 8.669 -1.238 1.00 0.00 C ATOM 466 CG2 VAL A 33 25.690 9.052 -3.707 1.00 0.00 C ATOM 0 H VAL A 33 28.440 9.664 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 33 26.717 11.023 -2.020 1.00 0.00 H new ATOM 0 HB VAL A 33 27.165 8.057 -2.530 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.980 7.780 -1.423 1.00 0.00 H new ATOM 0 HG12 VAL A 33 26.184 8.520 -0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 33 24.930 9.530 -1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 33 25.083 8.158 -3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 33 25.040 9.924 -3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 33 26.365 9.172 -4.554 1.00 0.00 H new ATOM 476 N GLU A 34 28.199 10.885 -0.044 1.00 0.00 N ATOM 477 CA GLU A 34 28.965 10.791 1.185 1.00 0.00 C ATOM 478 C GLU A 34 28.018 10.574 2.361 1.00 0.00 C ATOM 479 O GLU A 34 27.276 11.475 2.757 1.00 0.00 O ATOM 480 CB GLU A 34 29.811 12.054 1.375 1.00 0.00 C ATOM 481 CG GLU A 34 30.721 12.016 2.592 1.00 0.00 C ATOM 482 CD GLU A 34 31.750 13.127 2.574 1.00 0.00 C ATOM 483 OE1 GLU A 34 31.395 14.283 2.886 1.00 0.00 O ATOM 484 OE2 GLU A 34 32.919 12.851 2.230 1.00 0.00 O ATOM 0 H GLU A 34 27.621 11.722 -0.115 1.00 0.00 H new ATOM 0 HA GLU A 34 29.644 9.940 1.130 1.00 0.00 H new ATOM 0 HB2 GLU A 34 30.420 12.207 0.484 1.00 0.00 H new ATOM 0 HB3 GLU A 34 29.146 12.914 1.459 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.118 12.097 3.497 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.230 11.053 2.633 1.00 0.00 H new ATOM 491 N ILE A 35 28.020 9.359 2.885 1.00 0.00 N ATOM 492 CA ILE A 35 27.109 8.981 3.953 1.00 0.00 C ATOM 493 C ILE A 35 27.713 9.286 5.323 1.00 0.00 C ATOM 494 O ILE A 35 28.818 8.840 5.642 1.00 0.00 O ATOM 495 CB ILE A 35 26.744 7.484 3.850 1.00 0.00 C ATOM 496 CG1 ILE A 35 26.072 7.205 2.500 1.00 0.00 C ATOM 497 CG2 ILE A 35 25.838 7.064 4.998 1.00 0.00 C ATOM 498 CD1 ILE A 35 25.701 5.755 2.285 1.00 0.00 C ATOM 0 H ILE A 35 28.647 8.613 2.585 1.00 0.00 H new ATOM 0 HA ILE A 35 26.199 9.571 3.843 1.00 0.00 H new ATOM 0 HB ILE A 35 27.660 6.897 3.918 1.00 0.00 H new ATOM 0 HG12 ILE A 35 25.172 7.815 2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 35 26.742 7.520 1.700 1.00 0.00 H new ATOM 0 HG21 ILE A 35 25.596 6.006 4.902 1.00 0.00 H new ATOM 0 HG22 ILE A 35 26.349 7.235 5.946 1.00 0.00 H new ATOM 0 HG23 ILE A 35 24.920 7.650 4.970 1.00 0.00 H new ATOM 0 HD11 ILE A 35 25.231 5.641 1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 35 26.599 5.139 2.330 1.00 0.00 H new ATOM 0 HD13 ILE A 35 25.005 5.439 3.062 1.00 0.00 H new ATOM 510 N VAL A 36 26.977 10.043 6.128 1.00 0.00 N ATOM 511 CA VAL A 36 27.461 10.491 7.425 1.00 0.00 C ATOM 512 C VAL A 36 26.641 9.873 8.554 1.00 0.00 C ATOM 513 O VAL A 36 25.421 10.037 8.613 1.00 0.00 O ATOM 514 CB VAL A 36 27.404 12.031 7.545 1.00 0.00 C ATOM 515 CG1 VAL A 36 27.920 12.489 8.902 1.00 0.00 C ATOM 516 CG2 VAL A 36 28.196 12.688 6.423 1.00 0.00 C ATOM 0 H VAL A 36 26.035 10.361 5.901 1.00 0.00 H new ATOM 0 HA VAL A 36 28.498 10.167 7.510 1.00 0.00 H new ATOM 0 HB VAL A 36 26.362 12.338 7.456 1.00 0.00 H new ATOM 0 HG11 VAL A 36 27.870 13.576 8.962 1.00 0.00 H new ATOM 0 HG12 VAL A 36 27.306 12.053 9.691 1.00 0.00 H new ATOM 0 HG13 VAL A 36 28.954 12.166 9.026 1.00 0.00 H new ATOM 0 HG21 VAL A 36 28.143 13.772 6.526 1.00 0.00 H new ATOM 0 HG22 VAL A 36 29.237 12.369 6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 36 27.776 12.394 5.461 1.00 0.00 H new ATOM 526 N HIS A 37 27.321 9.165 9.447 1.00 0.00 N ATOM 527 CA HIS A 37 26.671 8.548 10.593 1.00 0.00 C ATOM 528 C HIS A 37 26.601 9.551 11.745 1.00 0.00 C ATOM 529 O HIS A 37 27.630 9.997 12.253 1.00 0.00 O ATOM 530 CB HIS A 37 27.446 7.297 11.025 1.00 0.00 C ATOM 531 CG HIS A 37 26.672 6.374 11.919 1.00 0.00 C ATOM 532 ND1 HIS A 37 26.562 6.595 13.269 1.00 0.00 N ATOM 533 CD2 HIS A 37 26.010 5.237 11.605 1.00 0.00 C ATOM 534 CE1 HIS A 37 25.841 5.596 13.742 1.00 0.00 C ATOM 535 NE2 HIS A 37 25.486 4.745 12.771 1.00 0.00 N ATOM 0 H HIS A 37 28.327 9.004 9.398 1.00 0.00 H new ATOM 0 HA HIS A 37 25.659 8.253 10.317 1.00 0.00 H new ATOM 0 HB2 HIS A 37 27.755 6.749 10.135 1.00 0.00 H new ATOM 0 HB3 HIS A 37 28.355 7.606 11.540 1.00 0.00 H new ATOM 0 HD1 HIS A 37 26.957 7.372 13.798 1.00 0.00 H new ATOM 0 HD2 HIS A 37 25.913 4.800 10.622 1.00 0.00 H new ATOM 0 HE1 HIS A 37 25.571 5.479 14.781 1.00 0.00 H new ATOM 543 N LEU A 38 25.388 9.915 12.140 1.00 0.00 N ATOM 544 CA LEU A 38 25.187 10.904 13.197 1.00 0.00 C ATOM 545 C LEU A 38 25.102 10.248 14.571 1.00 0.00 C ATOM 546 O LEU A 38 25.062 10.930 15.594 1.00 0.00 O ATOM 547 CB LEU A 38 23.914 11.714 12.938 1.00 0.00 C ATOM 548 CG LEU A 38 23.932 12.581 11.679 1.00 0.00 C ATOM 549 CD1 LEU A 38 22.604 13.305 11.518 1.00 0.00 C ATOM 550 CD2 LEU A 38 25.079 13.578 11.733 1.00 0.00 C ATOM 0 H LEU A 38 24.525 9.541 11.745 1.00 0.00 H new ATOM 0 HA LEU A 38 26.050 11.569 13.187 1.00 0.00 H new ATOM 0 HB2 LEU A 38 23.072 11.024 12.872 1.00 0.00 H new ATOM 0 HB3 LEU A 38 23.732 12.357 13.799 1.00 0.00 H new ATOM 0 HG LEU A 38 24.082 11.934 10.815 1.00 0.00 H new ATOM 0 HD11 LEU A 38 22.631 13.919 10.618 1.00 0.00 H new ATOM 0 HD12 LEU A 38 21.799 12.575 11.435 1.00 0.00 H new ATOM 0 HD13 LEU A 38 22.429 13.941 12.386 1.00 0.00 H new ATOM 0 HD21 LEU A 38 25.075 14.186 10.828 1.00 0.00 H new ATOM 0 HD22 LEU A 38 24.960 14.223 12.604 1.00 0.00 H new ATOM 0 HD23 LEU A 38 26.025 13.041 11.805 1.00 0.00 H new ATOM 562 N GLY A 39 25.100 8.924 14.596 1.00 0.00 N ATOM 563 CA GLY A 39 24.930 8.207 15.845 1.00 0.00 C ATOM 564 C GLY A 39 26.239 8.005 16.581 1.00 0.00 C ATOM 565 O GLY A 39 26.546 6.900 17.028 1.00 0.00 O ATOM 0 H GLY A 39 25.213 8.331 13.773 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.239 8.756 16.484 1.00 0.00 H new ATOM 0 HA3 GLY A 39 24.476 7.236 15.644 1.00 0.00 H new ATOM 569 N THR A 40 27.016 9.071 16.699 1.00 0.00 N ATOM 570 CA THR A 40 28.293 9.022 17.399 1.00 0.00 C ATOM 571 C THR A 40 28.706 10.414 17.869 1.00 0.00 C ATOM 572 O THR A 40 28.953 10.637 19.054 1.00 0.00 O ATOM 573 CB THR A 40 29.416 8.448 16.504 1.00 0.00 C ATOM 574 OG1 THR A 40 29.071 7.134 16.044 1.00 0.00 O ATOM 575 CG2 THR A 40 30.737 8.387 17.258 1.00 0.00 C ATOM 0 H THR A 40 26.783 9.987 16.316 1.00 0.00 H new ATOM 0 HA THR A 40 28.155 8.365 18.258 1.00 0.00 H new ATOM 0 HB THR A 40 29.528 9.113 15.648 1.00 0.00 H new ATOM 0 HG1 THR A 40 29.791 6.786 15.478 1.00 0.00 H new ATOM 0 HG21 THR A 40 31.510 7.980 16.606 1.00 0.00 H new ATOM 0 HG22 THR A 40 31.022 9.390 17.575 1.00 0.00 H new ATOM 0 HG23 THR A 40 30.627 7.747 18.134 1.00 0.00 H new ATOM 583 N ASP A 41 28.767 11.350 16.934 1.00 0.00 N ATOM 584 CA ASP A 41 29.267 12.686 17.227 1.00 0.00 C ATOM 585 C ASP A 41 28.134 13.700 17.330 1.00 0.00 C ATOM 586 O ASP A 41 27.262 13.760 16.464 1.00 0.00 O ATOM 587 CB ASP A 41 30.262 13.119 16.154 1.00 0.00 C ATOM 588 CG ASP A 41 30.649 14.573 16.289 1.00 0.00 C ATOM 589 OD1 ASP A 41 31.304 14.931 17.293 1.00 0.00 O ATOM 590 OD2 ASP A 41 30.292 15.361 15.402 1.00 0.00 O ATOM 0 H ASP A 41 28.477 11.210 15.966 1.00 0.00 H new ATOM 0 HA ASP A 41 29.769 12.649 18.194 1.00 0.00 H new ATOM 0 HB2 ASP A 41 31.156 12.499 16.219 1.00 0.00 H new ATOM 0 HB3 ASP A 41 29.828 12.950 15.169 1.00 0.00 H new ATOM 595 N LYS A 42 28.159 14.496 18.393 1.00 0.00 N ATOM 596 CA LYS A 42 27.125 15.498 18.626 1.00 0.00 C ATOM 597 C LYS A 42 27.445 16.813 17.921 1.00 0.00 C ATOM 598 O LYS A 42 26.573 17.668 17.771 1.00 0.00 O ATOM 599 CB LYS A 42 26.945 15.746 20.124 1.00 0.00 C ATOM 600 CG LYS A 42 26.384 14.553 20.877 1.00 0.00 C ATOM 601 CD LYS A 42 26.183 14.876 22.347 1.00 0.00 C ATOM 602 CE LYS A 42 25.552 13.713 23.093 1.00 0.00 C ATOM 603 NZ LYS A 42 25.419 13.998 24.545 1.00 0.00 N ATOM 0 H LYS A 42 28.885 14.467 19.108 1.00 0.00 H new ATOM 0 HA LYS A 42 26.196 15.107 18.211 1.00 0.00 H new ATOM 0 HB2 LYS A 42 27.908 16.017 20.557 1.00 0.00 H new ATOM 0 HB3 LYS A 42 26.281 16.599 20.265 1.00 0.00 H new ATOM 0 HG2 LYS A 42 25.434 14.255 20.434 1.00 0.00 H new ATOM 0 HG3 LYS A 42 27.062 13.705 20.778 1.00 0.00 H new ATOM 0 HD2 LYS A 42 27.143 15.122 22.801 1.00 0.00 H new ATOM 0 HD3 LYS A 42 25.549 15.758 22.443 1.00 0.00 H new ATOM 0 HE2 LYS A 42 24.569 13.501 22.672 1.00 0.00 H new ATOM 0 HE3 LYS A 42 26.158 12.818 22.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 24.984 13.182 25.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 26.360 14.175 24.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 24.820 14.837 24.681 1.00 0.00 H new ATOM 617 N ALA A 43 28.687 16.980 17.484 1.00 0.00 N ATOM 618 CA ALA A 43 29.074 18.188 16.767 1.00 0.00 C ATOM 619 C ALA A 43 28.406 18.216 15.399 1.00 0.00 C ATOM 620 O ALA A 43 28.030 19.274 14.893 1.00 0.00 O ATOM 621 CB ALA A 43 30.587 18.276 16.629 1.00 0.00 C ATOM 0 H ALA A 43 29.437 16.301 17.612 1.00 0.00 H new ATOM 0 HA ALA A 43 28.741 19.054 17.339 1.00 0.00 H new ATOM 0 HB1 ALA A 43 30.851 19.186 16.090 1.00 0.00 H new ATOM 0 HB2 ALA A 43 31.042 18.295 17.619 1.00 0.00 H new ATOM 0 HB3 ALA A 43 30.953 17.409 16.078 1.00 0.00 H new ATOM 627 N ARG A 44 28.246 17.038 14.814 1.00 0.00 N ATOM 628 CA ARG A 44 27.568 16.899 13.537 1.00 0.00 C ATOM 629 C ARG A 44 26.064 17.095 13.670 1.00 0.00 C ATOM 630 O ARG A 44 25.360 17.222 12.671 1.00 0.00 O ATOM 631 CB ARG A 44 27.888 15.552 12.900 1.00 0.00 C ATOM 632 CG ARG A 44 29.224 15.558 12.186 1.00 0.00 C ATOM 633 CD ARG A 44 29.548 14.212 11.573 1.00 0.00 C ATOM 634 NE ARG A 44 30.565 14.340 10.535 1.00 0.00 N ATOM 635 CZ ARG A 44 31.861 14.114 10.716 1.00 0.00 C ATOM 636 NH1 ARG A 44 32.318 13.720 11.900 1.00 0.00 N ATOM 637 NH2 ARG A 44 32.698 14.294 9.704 1.00 0.00 N ATOM 0 H ARG A 44 28.580 16.159 15.209 1.00 0.00 H new ATOM 0 HA ARG A 44 27.940 17.687 12.882 1.00 0.00 H new ATOM 0 HB2 ARG A 44 27.893 14.780 13.670 1.00 0.00 H new ATOM 0 HB3 ARG A 44 27.101 15.291 12.192 1.00 0.00 H new ATOM 0 HG2 ARG A 44 29.214 16.318 11.405 1.00 0.00 H new ATOM 0 HG3 ARG A 44 30.009 15.834 12.890 1.00 0.00 H new ATOM 0 HD2 ARG A 44 29.899 13.531 12.348 1.00 0.00 H new ATOM 0 HD3 ARG A 44 28.644 13.775 11.149 1.00 0.00 H new ATOM 0 HE ARG A 44 30.259 14.623 9.604 1.00 0.00 H new ATOM 0 HH11 ARG A 44 31.672 13.589 12.678 1.00 0.00 H new ATOM 0 HH12 ARG A 44 33.315 13.549 12.031 1.00 0.00 H new ATOM 0 HH21 ARG A 44 32.344 14.603 8.798 1.00 0.00 H new ATOM 0 HH22 ARG A 44 33.696 14.124 9.831 1.00 0.00 H new ATOM 651 N ILE A 45 25.569 17.130 14.901 1.00 0.00 N ATOM 652 CA ILE A 45 24.191 17.533 15.132 1.00 0.00 C ATOM 653 C ILE A 45 24.047 19.006 14.765 1.00 0.00 C ATOM 654 O ILE A 45 23.074 19.417 14.131 1.00 0.00 O ATOM 655 CB ILE A 45 23.750 17.299 16.597 1.00 0.00 C ATOM 656 CG1 ILE A 45 23.730 15.796 16.907 1.00 0.00 C ATOM 657 CG2 ILE A 45 22.384 17.921 16.859 1.00 0.00 C ATOM 658 CD1 ILE A 45 23.314 15.467 18.325 1.00 0.00 C ATOM 0 H ILE A 45 26.093 16.888 15.742 1.00 0.00 H new ATOM 0 HA ILE A 45 23.542 16.919 14.507 1.00 0.00 H new ATOM 0 HB ILE A 45 24.470 17.783 17.257 1.00 0.00 H new ATOM 0 HG12 ILE A 45 23.048 15.301 16.215 1.00 0.00 H new ATOM 0 HG13 ILE A 45 24.723 15.384 16.725 1.00 0.00 H new ATOM 0 HG21 ILE A 45 22.096 17.743 17.895 1.00 0.00 H new ATOM 0 HG22 ILE A 45 22.432 18.994 16.675 1.00 0.00 H new ATOM 0 HG23 ILE A 45 21.646 17.471 16.195 1.00 0.00 H new ATOM 0 HD11 ILE A 45 23.325 14.386 18.466 1.00 0.00 H new ATOM 0 HD12 ILE A 45 24.009 15.931 19.025 1.00 0.00 H new ATOM 0 HD13 ILE A 45 22.309 15.847 18.507 1.00 0.00 H new ATOM 670 N ALA A 46 25.056 19.789 15.132 1.00 0.00 N ATOM 671 CA ALA A 46 25.113 21.191 14.752 1.00 0.00 C ATOM 672 C ALA A 46 25.336 21.317 13.251 1.00 0.00 C ATOM 673 O ALA A 46 24.823 22.233 12.616 1.00 0.00 O ATOM 674 CB ALA A 46 26.217 21.909 15.513 1.00 0.00 C ATOM 0 H ALA A 46 25.846 19.473 15.694 1.00 0.00 H new ATOM 0 HA ALA A 46 24.162 21.659 15.008 1.00 0.00 H new ATOM 0 HB1 ALA A 46 26.243 22.957 15.214 1.00 0.00 H new ATOM 0 HB2 ALA A 46 26.024 21.842 16.584 1.00 0.00 H new ATOM 0 HB3 ALA A 46 27.176 21.444 15.287 1.00 0.00 H new ATOM 680 N GLU A 47 26.097 20.379 12.690 1.00 0.00 N ATOM 681 CA GLU A 47 26.347 20.346 11.251 1.00 0.00 C ATOM 682 C GLU A 47 25.042 20.126 10.490 1.00 0.00 C ATOM 683 O GLU A 47 24.748 20.822 9.514 1.00 0.00 O ATOM 684 CB GLU A 47 27.344 19.234 10.900 1.00 0.00 C ATOM 685 CG GLU A 47 27.765 19.236 9.437 1.00 0.00 C ATOM 686 CD GLU A 47 28.528 17.988 9.037 1.00 0.00 C ATOM 687 OE1 GLU A 47 29.677 17.815 9.489 1.00 0.00 O ATOM 688 OE2 GLU A 47 27.987 17.183 8.248 1.00 0.00 O ATOM 0 H GLU A 47 26.552 19.630 13.212 1.00 0.00 H new ATOM 0 HA GLU A 47 26.773 21.306 10.959 1.00 0.00 H new ATOM 0 HB2 GLU A 47 28.230 19.341 11.525 1.00 0.00 H new ATOM 0 HB3 GLU A 47 26.899 18.269 11.141 1.00 0.00 H new ATOM 0 HG2 GLU A 47 26.878 19.329 8.810 1.00 0.00 H new ATOM 0 HG3 GLU A 47 28.385 20.111 9.245 1.00 0.00 H new ATOM 695 N ALA A 48 24.255 19.161 10.952 1.00 0.00 N ATOM 696 CA ALA A 48 22.971 18.857 10.337 1.00 0.00 C ATOM 697 C ALA A 48 21.999 20.022 10.502 1.00 0.00 C ATOM 698 O ALA A 48 21.261 20.358 9.576 1.00 0.00 O ATOM 699 CB ALA A 48 22.390 17.582 10.929 1.00 0.00 C ATOM 0 H ALA A 48 24.486 18.574 11.754 1.00 0.00 H new ATOM 0 HA ALA A 48 23.130 18.702 9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 48 21.430 17.367 10.460 1.00 0.00 H new ATOM 0 HB2 ALA A 48 23.075 16.753 10.750 1.00 0.00 H new ATOM 0 HB3 ALA A 48 22.248 17.711 12.002 1.00 0.00 H new ATOM 705 N GLU A 49 22.007 20.640 11.681 1.00 0.00 N ATOM 706 CA GLU A 49 21.174 21.812 11.941 1.00 0.00 C ATOM 707 C GLU A 49 21.606 22.979 11.053 1.00 0.00 C ATOM 708 O GLU A 49 20.780 23.758 10.571 1.00 0.00 O ATOM 709 CB GLU A 49 21.270 22.214 13.415 1.00 0.00 C ATOM 710 CG GLU A 49 20.407 23.411 13.775 1.00 0.00 C ATOM 711 CD GLU A 49 20.642 23.903 15.186 1.00 0.00 C ATOM 712 OE1 GLU A 49 21.644 24.611 15.417 1.00 0.00 O ATOM 713 OE2 GLU A 49 19.818 23.604 16.069 1.00 0.00 O ATOM 0 H GLU A 49 22.581 20.349 12.472 1.00 0.00 H new ATOM 0 HA GLU A 49 20.139 21.559 11.710 1.00 0.00 H new ATOM 0 HB2 GLU A 49 20.977 21.366 14.034 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.309 22.440 13.655 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.609 24.222 13.075 1.00 0.00 H new ATOM 0 HG3 GLU A 49 19.357 23.143 13.659 1.00 0.00 H new ATOM 720 N LYS A 50 22.913 23.085 10.854 1.00 0.00 N ATOM 721 CA LYS A 50 23.505 24.108 10.002 1.00 0.00 C ATOM 722 C LYS A 50 23.044 23.935 8.555 1.00 0.00 C ATOM 723 O LYS A 50 22.815 24.913 7.840 1.00 0.00 O ATOM 724 CB LYS A 50 25.030 24.014 10.110 1.00 0.00 C ATOM 725 CG LYS A 50 25.803 25.038 9.300 1.00 0.00 C ATOM 726 CD LYS A 50 27.291 24.931 9.591 1.00 0.00 C ATOM 727 CE LYS A 50 28.118 25.815 8.678 1.00 0.00 C ATOM 728 NZ LYS A 50 28.019 25.392 7.257 1.00 0.00 N ATOM 0 H LYS A 50 23.596 22.460 11.282 1.00 0.00 H new ATOM 0 HA LYS A 50 23.181 25.096 10.330 1.00 0.00 H new ATOM 0 HB2 LYS A 50 25.310 24.118 11.158 1.00 0.00 H new ATOM 0 HB3 LYS A 50 25.339 23.017 9.795 1.00 0.00 H new ATOM 0 HG2 LYS A 50 25.622 24.882 8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 50 25.451 26.041 9.539 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.477 25.208 10.629 1.00 0.00 H new ATOM 0 HD3 LYS A 50 27.608 23.895 9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 50 27.784 26.848 8.773 1.00 0.00 H new ATOM 0 HE3 LYS A 50 29.161 25.787 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 28.778 25.843 6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 28.114 24.358 7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 27.096 25.678 6.873 1.00 0.00 H new ATOM 742 N ALA A 51 22.896 22.684 8.135 1.00 0.00 N ATOM 743 CA ALA A 51 22.399 22.379 6.802 1.00 0.00 C ATOM 744 C ALA A 51 20.888 22.584 6.733 1.00 0.00 C ATOM 745 O ALA A 51 20.367 23.146 5.770 1.00 0.00 O ATOM 746 CB ALA A 51 22.760 20.952 6.415 1.00 0.00 C ATOM 0 H ALA A 51 23.114 21.864 8.701 1.00 0.00 H new ATOM 0 HA ALA A 51 22.871 23.060 6.094 1.00 0.00 H new ATOM 0 HB1 ALA A 51 22.381 20.739 5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 51 23.844 20.835 6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 51 22.314 20.258 7.127 1.00 0.00 H new ATOM 752 N GLY A 52 20.190 22.138 7.770 1.00 0.00 N ATOM 753 CA GLY A 52 18.746 22.273 7.812 1.00 0.00 C ATOM 754 C GLY A 52 18.042 20.933 7.903 1.00 0.00 C ATOM 755 O GLY A 52 16.863 20.818 7.569 1.00 0.00 O ATOM 0 H GLY A 52 20.600 21.683 8.586 1.00 0.00 H new ATOM 0 HA2 GLY A 52 18.466 22.886 8.669 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.407 22.799 6.919 1.00 0.00 H new ATOM 759 N VAL A 53 18.766 19.925 8.368 1.00 0.00 N ATOM 760 CA VAL A 53 18.230 18.574 8.479 1.00 0.00 C ATOM 761 C VAL A 53 17.433 18.419 9.772 1.00 0.00 C ATOM 762 O VAL A 53 17.874 18.859 10.834 1.00 0.00 O ATOM 763 CB VAL A 53 19.365 17.526 8.442 1.00 0.00 C ATOM 764 CG1 VAL A 53 18.811 16.112 8.542 1.00 0.00 C ATOM 765 CG2 VAL A 53 20.194 17.688 7.179 1.00 0.00 C ATOM 0 H VAL A 53 19.734 20.018 8.677 1.00 0.00 H new ATOM 0 HA VAL A 53 17.569 18.406 7.628 1.00 0.00 H new ATOM 0 HB VAL A 53 20.009 17.694 9.305 1.00 0.00 H new ATOM 0 HG11 VAL A 53 19.633 15.396 8.513 1.00 0.00 H new ATOM 0 HG12 VAL A 53 18.265 16.000 9.479 1.00 0.00 H new ATOM 0 HG13 VAL A 53 18.138 15.925 7.705 1.00 0.00 H new ATOM 0 HG21 VAL A 53 20.989 16.943 7.168 1.00 0.00 H new ATOM 0 HG22 VAL A 53 19.557 17.552 6.305 1.00 0.00 H new ATOM 0 HG23 VAL A 53 20.632 18.686 7.157 1.00 0.00 H new ATOM 775 N LYS A 54 16.256 17.811 9.673 1.00 0.00 N ATOM 776 CA LYS A 54 15.395 17.606 10.832 1.00 0.00 C ATOM 777 C LYS A 54 15.292 16.130 11.205 1.00 0.00 C ATOM 778 O LYS A 54 15.184 15.785 12.382 1.00 0.00 O ATOM 779 CB LYS A 54 13.991 18.151 10.569 1.00 0.00 C ATOM 780 CG LYS A 54 13.912 19.664 10.499 1.00 0.00 C ATOM 781 CD LYS A 54 12.470 20.122 10.376 1.00 0.00 C ATOM 782 CE LYS A 54 12.344 21.632 10.465 1.00 0.00 C ATOM 783 NZ LYS A 54 10.921 22.062 10.475 1.00 0.00 N ATOM 0 H LYS A 54 15.875 17.450 8.798 1.00 0.00 H new ATOM 0 HA LYS A 54 15.850 18.147 11.662 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.623 17.736 9.631 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.324 17.800 11.357 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.361 20.098 11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.487 20.024 9.646 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.060 19.779 9.426 1.00 0.00 H new ATOM 0 HD3 LYS A 54 11.875 19.661 11.164 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.838 21.986 11.370 1.00 0.00 H new ATOM 0 HE3 LYS A 54 12.858 22.091 9.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.872 23.099 10.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.456 21.745 9.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.438 21.643 11.295 1.00 0.00 H new ATOM 797 N SER A 55 15.323 15.260 10.213 1.00 0.00 N ATOM 798 CA SER A 55 15.111 13.843 10.453 1.00 0.00 C ATOM 799 C SER A 55 16.133 13.003 9.698 1.00 0.00 C ATOM 800 O SER A 55 16.770 13.477 8.759 1.00 0.00 O ATOM 801 CB SER A 55 13.696 13.449 10.021 1.00 0.00 C ATOM 802 OG SER A 55 12.727 14.306 10.605 1.00 0.00 O ATOM 0 H SER A 55 15.492 15.507 9.238 1.00 0.00 H new ATOM 0 HA SER A 55 15.232 13.655 11.520 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.618 13.494 8.935 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.497 12.418 10.313 1.00 0.00 H new ATOM 0 HG SER A 55 12.094 13.774 11.131 1.00 0.00 H new ATOM 808 N VAL A 56 16.296 11.762 10.124 1.00 0.00 N ATOM 809 CA VAL A 56 17.152 10.822 9.423 1.00 0.00 C ATOM 810 C VAL A 56 16.360 9.570 9.064 1.00 0.00 C ATOM 811 O VAL A 56 15.472 9.152 9.814 1.00 0.00 O ATOM 812 CB VAL A 56 18.397 10.431 10.253 1.00 0.00 C ATOM 813 CG1 VAL A 56 19.289 11.640 10.489 1.00 0.00 C ATOM 814 CG2 VAL A 56 17.998 9.797 11.578 1.00 0.00 C ATOM 0 H VAL A 56 15.844 11.381 10.956 1.00 0.00 H new ATOM 0 HA VAL A 56 17.504 11.315 8.517 1.00 0.00 H new ATOM 0 HB VAL A 56 18.959 9.693 9.681 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.159 11.342 11.075 1.00 0.00 H new ATOM 0 HG12 VAL A 56 19.618 12.042 9.531 1.00 0.00 H new ATOM 0 HG13 VAL A 56 18.731 12.404 11.031 1.00 0.00 H new ATOM 0 HG21 VAL A 56 18.894 9.533 12.139 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.404 10.505 12.156 1.00 0.00 H new ATOM 0 HG23 VAL A 56 17.410 8.899 11.389 1.00 0.00 H new ATOM 824 N PRO A 57 16.661 8.950 7.915 1.00 0.00 N ATOM 825 CA PRO A 57 17.732 9.382 7.013 1.00 0.00 C ATOM 826 C PRO A 57 17.339 10.586 6.159 1.00 0.00 C ATOM 827 O PRO A 57 16.161 10.809 5.883 1.00 0.00 O ATOM 828 CB PRO A 57 17.970 8.158 6.113 1.00 0.00 C ATOM 829 CG PRO A 57 17.049 7.088 6.610 1.00 0.00 C ATOM 830 CD PRO A 57 15.969 7.777 7.389 1.00 0.00 C ATOM 0 HA PRO A 57 18.612 9.701 7.571 1.00 0.00 H new ATOM 0 HB2 PRO A 57 17.763 8.396 5.070 1.00 0.00 H new ATOM 0 HB3 PRO A 57 19.009 7.832 6.166 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.627 6.524 5.778 1.00 0.00 H new ATOM 0 HG3 PRO A 57 17.585 6.377 7.238 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.125 8.053 6.757 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.577 7.145 8.186 1.00 0.00 H new ATOM 838 N ALA A 58 18.334 11.355 5.747 1.00 0.00 N ATOM 839 CA ALA A 58 18.108 12.515 4.901 1.00 0.00 C ATOM 840 C ALA A 58 19.171 12.596 3.817 1.00 0.00 C ATOM 841 O ALA A 58 20.361 12.441 4.094 1.00 0.00 O ATOM 842 CB ALA A 58 18.108 13.786 5.732 1.00 0.00 C ATOM 0 H ALA A 58 19.312 11.195 5.987 1.00 0.00 H new ATOM 0 HA ALA A 58 17.133 12.410 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.938 14.645 5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.316 13.732 6.479 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.071 13.894 6.232 1.00 0.00 H new ATOM 848 N LEU A 59 18.739 12.835 2.592 1.00 0.00 N ATOM 849 CA LEU A 59 19.651 12.934 1.467 1.00 0.00 C ATOM 850 C LEU A 59 19.785 14.395 1.044 1.00 0.00 C ATOM 851 O LEU A 59 18.859 14.981 0.487 1.00 0.00 O ATOM 852 CB LEU A 59 19.143 12.078 0.300 1.00 0.00 C ATOM 853 CG LEU A 59 20.222 11.440 -0.584 1.00 0.00 C ATOM 854 CD1 LEU A 59 19.581 10.511 -1.603 1.00 0.00 C ATOM 855 CD2 LEU A 59 21.053 12.500 -1.291 1.00 0.00 C ATOM 0 H LEU A 59 17.757 12.965 2.350 1.00 0.00 H new ATOM 0 HA LEU A 59 20.632 12.562 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 59 18.516 11.284 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 59 18.505 12.699 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 59 20.887 10.863 0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 59 20.356 10.063 -2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 59 19.033 9.724 -1.084 1.00 0.00 H new ATOM 0 HD13 LEU A 59 18.894 11.078 -2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 59 21.809 12.017 -1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 59 20.405 13.110 -1.920 1.00 0.00 H new ATOM 0 HD23 LEU A 59 21.541 13.134 -0.550 1.00 0.00 H new ATOM 867 N VAL A 60 20.935 14.979 1.329 1.00 0.00 N ATOM 868 CA VAL A 60 21.194 16.371 1.006 1.00 0.00 C ATOM 869 C VAL A 60 21.782 16.489 -0.394 1.00 0.00 C ATOM 870 O VAL A 60 22.960 16.204 -0.609 1.00 0.00 O ATOM 871 CB VAL A 60 22.158 17.015 2.027 1.00 0.00 C ATOM 872 CG1 VAL A 60 22.345 18.497 1.737 1.00 0.00 C ATOM 873 CG2 VAL A 60 21.652 16.806 3.445 1.00 0.00 C ATOM 0 H VAL A 60 21.712 14.505 1.789 1.00 0.00 H new ATOM 0 HA VAL A 60 20.243 16.902 1.047 1.00 0.00 H new ATOM 0 HB VAL A 60 23.128 16.527 1.932 1.00 0.00 H new ATOM 0 HG11 VAL A 60 23.028 18.928 2.469 1.00 0.00 H new ATOM 0 HG12 VAL A 60 22.759 18.623 0.737 1.00 0.00 H new ATOM 0 HG13 VAL A 60 21.382 19.004 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 60 22.344 17.267 4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 60 20.668 17.263 3.551 1.00 0.00 H new ATOM 0 HG23 VAL A 60 21.580 15.738 3.652 1.00 0.00 H new ATOM 883 N ILE A 61 20.950 16.895 -1.339 1.00 0.00 N ATOM 884 CA ILE A 61 21.366 17.033 -2.725 1.00 0.00 C ATOM 885 C ILE A 61 21.723 18.483 -3.029 1.00 0.00 C ATOM 886 O ILE A 61 20.841 19.341 -3.100 1.00 0.00 O ATOM 887 CB ILE A 61 20.254 16.575 -3.698 1.00 0.00 C ATOM 888 CG1 ILE A 61 19.816 15.143 -3.375 1.00 0.00 C ATOM 889 CG2 ILE A 61 20.737 16.673 -5.141 1.00 0.00 C ATOM 890 CD1 ILE A 61 18.665 14.650 -4.225 1.00 0.00 C ATOM 0 H ILE A 61 19.974 17.137 -1.169 1.00 0.00 H new ATOM 0 HA ILE A 61 22.240 16.397 -2.867 1.00 0.00 H new ATOM 0 HB ILE A 61 19.394 17.234 -3.576 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.666 14.474 -3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.529 15.089 -2.325 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.943 16.347 -5.813 1.00 0.00 H new ATOM 0 HG22 ILE A 61 21.002 17.706 -5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.611 16.036 -5.276 1.00 0.00 H new ATOM 0 HD11 ILE A 61 18.412 13.629 -3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.799 15.295 -4.074 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.954 14.670 -5.276 1.00 0.00 H new ATOM 902 N ASP A 62 23.023 18.755 -3.162 1.00 0.00 N ATOM 903 CA ASP A 62 23.518 20.082 -3.552 1.00 0.00 C ATOM 904 C ASP A 62 23.149 21.143 -2.507 1.00 0.00 C ATOM 905 O ASP A 62 23.206 22.344 -2.765 1.00 0.00 O ATOM 906 CB ASP A 62 22.967 20.464 -4.938 1.00 0.00 C ATOM 907 CG ASP A 62 23.572 21.741 -5.498 1.00 0.00 C ATOM 908 OD1 ASP A 62 24.784 21.749 -5.802 1.00 0.00 O ATOM 909 OD2 ASP A 62 22.834 22.740 -5.648 1.00 0.00 O ATOM 0 H ASP A 62 23.760 18.068 -3.004 1.00 0.00 H new ATOM 0 HA ASP A 62 24.606 20.040 -3.606 1.00 0.00 H new ATOM 0 HB2 ASP A 62 23.155 19.646 -5.634 1.00 0.00 H new ATOM 0 HB3 ASP A 62 21.886 20.582 -4.871 1.00 0.00 H new ATOM 914 N GLY A 63 22.791 20.695 -1.314 1.00 0.00 N ATOM 915 CA GLY A 63 22.429 21.620 -0.257 1.00 0.00 C ATOM 916 C GLY A 63 20.975 21.492 0.146 1.00 0.00 C ATOM 917 O GLY A 63 20.576 21.959 1.214 1.00 0.00 O ATOM 0 H GLY A 63 22.744 19.709 -1.057 1.00 0.00 H new ATOM 0 HA2 GLY A 63 23.062 21.441 0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.624 22.640 -0.588 1.00 0.00 H new ATOM 921 N ALA A 64 20.180 20.862 -0.705 1.00 0.00 N ATOM 922 CA ALA A 64 18.772 20.648 -0.414 1.00 0.00 C ATOM 923 C ALA A 64 18.575 19.298 0.265 1.00 0.00 C ATOM 924 O ALA A 64 18.822 18.252 -0.332 1.00 0.00 O ATOM 925 CB ALA A 64 17.948 20.738 -1.687 1.00 0.00 C ATOM 0 H ALA A 64 20.487 20.490 -1.604 1.00 0.00 H new ATOM 0 HA ALA A 64 18.431 21.428 0.267 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.896 20.575 -1.452 1.00 0.00 H new ATOM 0 HB2 ALA A 64 18.072 21.725 -2.132 1.00 0.00 H new ATOM 0 HB3 ALA A 64 18.284 19.978 -2.392 1.00 0.00 H new ATOM 931 N ALA A 65 18.148 19.328 1.518 1.00 0.00 N ATOM 932 CA ALA A 65 17.984 18.111 2.299 1.00 0.00 C ATOM 933 C ALA A 65 16.628 17.464 2.053 1.00 0.00 C ATOM 934 O ALA A 65 15.588 18.017 2.411 1.00 0.00 O ATOM 935 CB ALA A 65 18.165 18.411 3.780 1.00 0.00 C ATOM 0 H ALA A 65 17.908 20.184 2.017 1.00 0.00 H new ATOM 0 HA ALA A 65 18.750 17.404 1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 65 18.040 17.493 4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 65 19.164 18.813 3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 65 17.421 19.142 4.097 1.00 0.00 H new ATOM 941 N PHE A 66 16.648 16.298 1.425 1.00 0.00 N ATOM 942 CA PHE A 66 15.437 15.530 1.201 1.00 0.00 C ATOM 943 C PHE A 66 15.400 14.328 2.135 1.00 0.00 C ATOM 944 O PHE A 66 16.151 13.368 1.965 1.00 0.00 O ATOM 945 CB PHE A 66 15.341 15.081 -0.259 1.00 0.00 C ATOM 946 CG PHE A 66 15.188 16.222 -1.221 1.00 0.00 C ATOM 947 CD1 PHE A 66 13.934 16.733 -1.513 1.00 0.00 C ATOM 948 CD2 PHE A 66 16.297 16.789 -1.828 1.00 0.00 C ATOM 949 CE1 PHE A 66 13.788 17.787 -2.394 1.00 0.00 C ATOM 950 CE2 PHE A 66 16.157 17.842 -2.707 1.00 0.00 C ATOM 951 CZ PHE A 66 14.902 18.343 -2.991 1.00 0.00 C ATOM 0 H PHE A 66 17.495 15.863 1.061 1.00 0.00 H new ATOM 0 HA PHE A 66 14.578 16.166 1.415 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.236 14.514 -0.517 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.493 14.405 -0.369 1.00 0.00 H new ATOM 0 HD1 PHE A 66 13.060 16.302 -1.046 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.282 16.402 -1.610 1.00 0.00 H new ATOM 0 HE1 PHE A 66 12.805 18.175 -2.615 1.00 0.00 H new ATOM 0 HE2 PHE A 66 17.029 18.275 -3.174 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.792 19.168 -3.679 1.00 0.00 H new ATOM 961 N HIS A 67 14.541 14.407 3.133 1.00 0.00 N ATOM 962 CA HIS A 67 14.420 13.364 4.137 1.00 0.00 C ATOM 963 C HIS A 67 13.762 12.126 3.540 1.00 0.00 C ATOM 964 O HIS A 67 12.816 12.234 2.761 1.00 0.00 O ATOM 965 CB HIS A 67 13.602 13.877 5.327 1.00 0.00 C ATOM 966 CG HIS A 67 14.180 15.106 5.966 1.00 0.00 C ATOM 967 ND1 HIS A 67 13.937 16.389 5.527 1.00 0.00 N ATOM 968 CD2 HIS A 67 14.998 15.230 7.038 1.00 0.00 C ATOM 969 CE1 HIS A 67 14.605 17.232 6.322 1.00 0.00 C ATOM 970 NE2 HIS A 67 15.265 16.581 7.259 1.00 0.00 N ATOM 0 H HIS A 67 13.908 15.194 3.272 1.00 0.00 H new ATOM 0 HA HIS A 67 15.417 13.092 4.483 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.587 14.094 4.994 1.00 0.00 H new ATOM 0 HB3 HIS A 67 13.530 13.088 6.075 1.00 0.00 H new ATOM 0 HD1 HIS A 67 13.350 16.650 4.735 1.00 0.00 H new ATOM 0 HD2 HIS A 67 15.383 14.412 7.629 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.604 18.306 6.211 1.00 0.00 H new ATOM 978 N ILE A 68 14.274 10.961 3.901 1.00 0.00 N ATOM 979 CA ILE A 68 13.760 9.705 3.380 1.00 0.00 C ATOM 980 C ILE A 68 13.106 8.907 4.502 1.00 0.00 C ATOM 981 O ILE A 68 13.777 8.153 5.212 1.00 0.00 O ATOM 982 CB ILE A 68 14.882 8.863 2.732 1.00 0.00 C ATOM 983 CG1 ILE A 68 15.646 9.697 1.697 1.00 0.00 C ATOM 984 CG2 ILE A 68 14.301 7.615 2.082 1.00 0.00 C ATOM 985 CD1 ILE A 68 16.837 8.980 1.096 1.00 0.00 C ATOM 0 H ILE A 68 15.049 10.859 4.556 1.00 0.00 H new ATOM 0 HA ILE A 68 13.021 9.937 2.613 1.00 0.00 H new ATOM 0 HB ILE A 68 15.578 8.555 3.512 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.963 9.981 0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.988 10.619 2.167 1.00 0.00 H new ATOM 0 HG21 ILE A 68 15.104 7.033 1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 68 13.797 7.012 2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 68 13.586 7.905 1.312 1.00 0.00 H new ATOM 0 HD11 ILE A 68 17.327 9.632 0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 68 17.541 8.719 1.886 1.00 0.00 H new ATOM 0 HD13 ILE A 68 16.501 8.072 0.596 1.00 0.00 H new ATOM 997 N ASN A 69 11.799 9.101 4.664 1.00 0.00 N ATOM 998 CA ASN A 69 11.043 8.493 5.761 1.00 0.00 C ATOM 999 C ASN A 69 11.507 9.039 7.108 1.00 0.00 C ATOM 1000 O ASN A 69 12.313 9.970 7.168 1.00 0.00 O ATOM 1001 CB ASN A 69 11.150 6.959 5.734 1.00 0.00 C ATOM 1002 CG ASN A 69 10.243 6.330 4.694 1.00 0.00 C ATOM 1003 OD1 ASN A 69 9.178 6.860 4.384 1.00 0.00 O ATOM 1004 ND2 ASN A 69 10.653 5.196 4.148 1.00 0.00 N ATOM 0 H ASN A 69 11.235 9.681 4.043 1.00 0.00 H new ATOM 0 HA ASN A 69 9.994 8.757 5.624 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.182 6.674 5.531 1.00 0.00 H new ATOM 0 HB3 ASN A 69 10.898 6.563 6.718 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.079 4.732 3.444 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.543 4.786 4.431 1.00 0.00 H new ATOM 1011 N PHE A 70 10.991 8.477 8.190 1.00 0.00 N ATOM 1012 CA PHE A 70 11.327 8.957 9.520 1.00 0.00 C ATOM 1013 C PHE A 70 11.804 7.818 10.409 1.00 0.00 C ATOM 1014 O PHE A 70 11.007 6.995 10.866 1.00 0.00 O ATOM 1015 CB PHE A 70 10.122 9.657 10.155 1.00 0.00 C ATOM 1016 CG PHE A 70 10.401 10.228 11.521 1.00 0.00 C ATOM 1017 CD1 PHE A 70 11.067 11.434 11.658 1.00 0.00 C ATOM 1018 CD2 PHE A 70 9.998 9.557 12.667 1.00 0.00 C ATOM 1019 CE1 PHE A 70 11.326 11.962 12.909 1.00 0.00 C ATOM 1020 CE2 PHE A 70 10.254 10.080 13.920 1.00 0.00 C ATOM 1021 CZ PHE A 70 10.919 11.284 14.041 1.00 0.00 C ATOM 0 H PHE A 70 10.341 7.691 8.173 1.00 0.00 H new ATOM 0 HA PHE A 70 12.141 9.675 9.423 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.791 10.460 9.496 1.00 0.00 H new ATOM 0 HB3 PHE A 70 9.299 8.947 10.230 1.00 0.00 H new ATOM 0 HD1 PHE A 70 11.388 11.969 10.776 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.478 8.615 12.578 1.00 0.00 H new ATOM 0 HE1 PHE A 70 11.846 12.904 13.001 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.934 9.548 14.804 1.00 0.00 H new ATOM 0 HZ PHE A 70 11.120 11.695 15.019 1.00 0.00 H new ATOM 1031 N GLY A 71 13.107 7.765 10.632 1.00 0.00 N ATOM 1032 CA GLY A 71 13.661 6.815 11.571 1.00 0.00 C ATOM 1033 C GLY A 71 13.882 7.465 12.918 1.00 0.00 C ATOM 1034 O GLY A 71 13.364 7.005 13.936 1.00 0.00 O ATOM 0 H GLY A 71 13.794 8.366 10.177 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.987 5.965 11.678 1.00 0.00 H new ATOM 0 HA3 GLY A 71 14.605 6.427 11.189 1.00 0.00 H new ATOM 1038 N ALA A 72 14.647 8.548 12.912 1.00 0.00 N ATOM 1039 CA ALA A 72 14.895 9.328 14.115 1.00 0.00 C ATOM 1040 C ALA A 72 14.859 10.815 13.788 1.00 0.00 C ATOM 1041 O ALA A 72 15.066 11.206 12.635 1.00 0.00 O ATOM 1042 CB ALA A 72 16.231 8.947 14.734 1.00 0.00 C ATOM 0 H ALA A 72 15.110 8.908 12.078 1.00 0.00 H new ATOM 0 HA ALA A 72 14.112 9.111 14.841 1.00 0.00 H new ATOM 0 HB1 ALA A 72 16.398 9.541 15.632 1.00 0.00 H new ATOM 0 HB2 ALA A 72 16.222 7.889 14.995 1.00 0.00 H new ATOM 0 HB3 ALA A 72 17.031 9.138 14.019 1.00 0.00 H new ATOM 1048 N GLY A 73 14.598 11.638 14.792 1.00 0.00 N ATOM 1049 CA GLY A 73 14.554 13.071 14.585 1.00 0.00 C ATOM 1050 C GLY A 73 15.676 13.776 15.317 1.00 0.00 C ATOM 1051 O GLY A 73 15.935 13.486 16.486 1.00 0.00 O ATOM 0 H GLY A 73 14.415 11.338 15.750 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.622 13.287 13.519 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.595 13.459 14.928 1.00 0.00 H new ATOM 1055 N ILE A 74 16.335 14.711 14.641 1.00 0.00 N ATOM 1056 CA ILE A 74 17.470 15.412 15.229 1.00 0.00 C ATOM 1057 C ILE A 74 17.018 16.273 16.405 1.00 0.00 C ATOM 1058 O ILE A 74 17.723 16.393 17.400 1.00 0.00 O ATOM 1059 CB ILE A 74 18.220 16.291 14.193 1.00 0.00 C ATOM 1060 CG1 ILE A 74 19.540 16.793 14.777 1.00 0.00 C ATOM 1061 CG2 ILE A 74 17.363 17.469 13.748 1.00 0.00 C ATOM 1062 CD1 ILE A 74 20.334 17.660 13.822 1.00 0.00 C ATOM 0 H ILE A 74 16.104 15.000 13.690 1.00 0.00 H new ATOM 0 HA ILE A 74 18.164 14.649 15.581 1.00 0.00 H new ATOM 0 HB ILE A 74 18.430 15.674 13.320 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.334 17.361 15.684 1.00 0.00 H new ATOM 0 HG13 ILE A 74 20.148 15.937 15.068 1.00 0.00 H new ATOM 0 HG21 ILE A 74 17.915 18.067 13.022 1.00 0.00 H new ATOM 0 HG22 ILE A 74 16.445 17.099 13.291 1.00 0.00 H new ATOM 0 HG23 ILE A 74 17.115 18.085 14.612 1.00 0.00 H new ATOM 0 HD11 ILE A 74 21.258 17.980 14.304 1.00 0.00 H new ATOM 0 HD12 ILE A 74 20.571 17.089 12.924 1.00 0.00 H new ATOM 0 HD13 ILE A 74 19.745 18.536 13.550 1.00 0.00 H new ATOM 1074 N ASP A 75 15.818 16.829 16.296 1.00 0.00 N ATOM 1075 CA ASP A 75 15.271 17.701 17.332 1.00 0.00 C ATOM 1076 C ASP A 75 14.988 16.908 18.604 1.00 0.00 C ATOM 1077 O ASP A 75 15.075 17.429 19.715 1.00 0.00 O ATOM 1078 CB ASP A 75 13.987 18.362 16.831 1.00 0.00 C ATOM 1079 CG ASP A 75 13.396 19.334 17.832 1.00 0.00 C ATOM 1080 OD1 ASP A 75 13.808 20.514 17.836 1.00 0.00 O ATOM 1081 OD2 ASP A 75 12.502 18.931 18.604 1.00 0.00 O ATOM 0 H ASP A 75 15.200 16.691 15.496 1.00 0.00 H new ATOM 0 HA ASP A 75 16.005 18.473 17.561 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.195 18.889 15.900 1.00 0.00 H new ATOM 0 HB3 ASP A 75 13.252 17.590 16.604 1.00 0.00 H new ATOM 1086 N ASP A 76 14.667 15.636 18.426 1.00 0.00 N ATOM 1087 CA ASP A 76 14.339 14.758 19.541 1.00 0.00 C ATOM 1088 C ASP A 76 15.606 14.347 20.283 1.00 0.00 C ATOM 1089 O ASP A 76 15.611 14.215 21.508 1.00 0.00 O ATOM 1090 CB ASP A 76 13.599 13.522 19.025 1.00 0.00 C ATOM 1091 CG ASP A 76 13.071 12.640 20.137 1.00 0.00 C ATOM 1092 OD1 ASP A 76 11.941 12.889 20.607 1.00 0.00 O ATOM 1093 OD2 ASP A 76 13.766 11.681 20.530 1.00 0.00 O ATOM 0 H ASP A 76 14.626 15.185 17.512 1.00 0.00 H new ATOM 0 HA ASP A 76 13.693 15.294 20.236 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.768 13.840 18.395 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.271 12.940 18.395 1.00 0.00 H new ATOM 1098 N LEU A 77 16.683 14.177 19.527 1.00 0.00 N ATOM 1099 CA LEU A 77 17.959 13.736 20.081 1.00 0.00 C ATOM 1100 C LEU A 77 18.790 14.918 20.575 1.00 0.00 C ATOM 1101 O LEU A 77 19.650 14.765 21.446 1.00 0.00 O ATOM 1102 CB LEU A 77 18.745 12.963 19.019 1.00 0.00 C ATOM 1103 CG LEU A 77 18.049 11.716 18.470 1.00 0.00 C ATOM 1104 CD1 LEU A 77 18.859 11.110 17.335 1.00 0.00 C ATOM 1105 CD2 LEU A 77 17.837 10.694 19.576 1.00 0.00 C ATOM 0 H LEU A 77 16.699 14.339 18.520 1.00 0.00 H new ATOM 0 HA LEU A 77 17.751 13.088 20.932 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.959 13.635 18.188 1.00 0.00 H new ATOM 0 HB3 LEU A 77 19.704 12.666 19.444 1.00 0.00 H new ATOM 0 HG LEU A 77 17.074 12.010 18.080 1.00 0.00 H new ATOM 0 HD11 LEU A 77 18.349 10.224 16.957 1.00 0.00 H new ATOM 0 HD12 LEU A 77 18.963 11.840 16.532 1.00 0.00 H new ATOM 0 HD13 LEU A 77 19.847 10.831 17.702 1.00 0.00 H new ATOM 0 HD21 LEU A 77 17.341 9.814 19.168 1.00 0.00 H new ATOM 0 HD22 LEU A 77 18.801 10.406 19.995 1.00 0.00 H new ATOM 0 HD23 LEU A 77 17.217 11.129 20.360 1.00 0.00 H new ATOM 1117 N LYS A 78 18.536 16.091 20.014 1.00 0.00 N ATOM 1118 CA LYS A 78 19.307 17.284 20.333 1.00 0.00 C ATOM 1119 C LYS A 78 18.902 17.853 21.687 1.00 0.00 C ATOM 1120 O LYS A 78 17.812 18.404 21.844 1.00 0.00 O ATOM 1121 CB LYS A 78 19.126 18.331 19.232 1.00 0.00 C ATOM 1122 CG LYS A 78 19.937 19.602 19.428 1.00 0.00 C ATOM 1123 CD LYS A 78 19.924 20.448 18.167 1.00 0.00 C ATOM 1124 CE LYS A 78 20.659 21.764 18.357 1.00 0.00 C ATOM 1125 NZ LYS A 78 19.912 22.702 19.237 1.00 0.00 N ATOM 0 H LYS A 78 17.795 16.243 19.330 1.00 0.00 H new ATOM 0 HA LYS A 78 20.360 17.009 20.391 1.00 0.00 H new ATOM 0 HB2 LYS A 78 19.400 17.885 18.276 1.00 0.00 H new ATOM 0 HB3 LYS A 78 18.070 18.595 19.170 1.00 0.00 H new ATOM 0 HG2 LYS A 78 19.528 20.175 20.260 1.00 0.00 H new ATOM 0 HG3 LYS A 78 20.964 19.347 19.690 1.00 0.00 H new ATOM 0 HD2 LYS A 78 20.384 19.890 17.351 1.00 0.00 H new ATOM 0 HD3 LYS A 78 18.893 20.647 17.875 1.00 0.00 H new ATOM 0 HE2 LYS A 78 21.642 21.571 18.786 1.00 0.00 H new ATOM 0 HE3 LYS A 78 20.822 22.231 17.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 20.398 23.621 19.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.947 22.829 18.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.867 22.313 20.200 1.00 0.00 H new ATOM 1177 N ALA B 2 16.594 -1.948 -14.430 1.00 0.00 N ATOM 1178 CA ALA B 2 15.550 -0.938 -14.335 1.00 0.00 C ATOM 1179 C ALA B 2 14.244 -1.547 -13.846 1.00 0.00 C ATOM 1180 O ALA B 2 13.576 -2.272 -14.582 1.00 0.00 O ATOM 1181 CB ALA B 2 15.340 -0.271 -15.690 1.00 0.00 C ATOM 0 HA ALA B 2 15.869 -0.187 -13.612 1.00 0.00 H new ATOM 0 HB1 ALA B 2 14.557 0.483 -15.607 1.00 0.00 H new ATOM 0 HB2 ALA B 2 16.268 0.203 -16.010 1.00 0.00 H new ATOM 0 HB3 ALA B 2 15.045 -1.022 -16.423 1.00 0.00 H new ATOM 1187 N SER B 3 13.894 -1.269 -12.602 1.00 0.00 N ATOM 1188 CA SER B 3 12.639 -1.740 -12.046 1.00 0.00 C ATOM 1189 C SER B 3 11.618 -0.602 -12.034 1.00 0.00 C ATOM 1190 O SER B 3 11.848 0.447 -12.644 1.00 0.00 O ATOM 1191 CB SER B 3 12.866 -2.285 -10.636 1.00 0.00 C ATOM 1192 OG SER B 3 13.484 -1.319 -9.806 1.00 0.00 O ATOM 0 H SER B 3 14.462 -0.719 -11.958 1.00 0.00 H new ATOM 0 HA SER B 3 12.248 -2.547 -12.666 1.00 0.00 H new ATOM 0 HB2 SER B 3 11.912 -2.585 -10.201 1.00 0.00 H new ATOM 0 HB3 SER B 3 13.489 -3.178 -10.685 1.00 0.00 H new ATOM 0 HG SER B 3 13.003 -1.264 -8.954 1.00 0.00 H new ATOM 1198 N LYS B 4 10.500 -0.802 -11.347 1.00 0.00 N ATOM 1199 CA LYS B 4 9.443 0.197 -11.325 1.00 0.00 C ATOM 1200 C LYS B 4 9.500 1.022 -10.041 1.00 0.00 C ATOM 1201 O LYS B 4 9.389 0.488 -8.936 1.00 0.00 O ATOM 1202 CB LYS B 4 8.071 -0.468 -11.457 1.00 0.00 C ATOM 1203 CG LYS B 4 6.949 0.527 -11.698 1.00 0.00 C ATOM 1204 CD LYS B 4 5.588 -0.149 -11.756 1.00 0.00 C ATOM 1205 CE LYS B 4 4.524 0.824 -12.235 1.00 0.00 C ATOM 1206 NZ LYS B 4 3.147 0.340 -11.964 1.00 0.00 N ATOM 0 H LYS B 4 10.304 -1.641 -10.802 1.00 0.00 H new ATOM 0 HA LYS B 4 9.595 0.864 -12.174 1.00 0.00 H new ATOM 0 HB2 LYS B 4 8.098 -1.183 -12.279 1.00 0.00 H new ATOM 0 HB3 LYS B 4 7.859 -1.033 -10.550 1.00 0.00 H new ATOM 0 HG2 LYS B 4 6.949 1.273 -10.903 1.00 0.00 H new ATOM 0 HG3 LYS B 4 7.130 1.058 -12.633 1.00 0.00 H new ATOM 0 HD2 LYS B 4 5.631 -1.007 -12.427 1.00 0.00 H new ATOM 0 HD3 LYS B 4 5.323 -0.529 -10.769 1.00 0.00 H new ATOM 0 HE2 LYS B 4 4.670 1.787 -11.745 1.00 0.00 H new ATOM 0 HE3 LYS B 4 4.643 0.989 -13.306 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.486 1.143 -11.986 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 2.874 -0.354 -12.689 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 3.115 -0.109 -11.026 1.00 0.00 H new ATOM 1220 N ALA B 5 9.673 2.325 -10.202 1.00 0.00 N ATOM 1221 CA ALA B 5 9.688 3.245 -9.076 1.00 0.00 C ATOM 1222 C ALA B 5 8.511 4.205 -9.183 1.00 0.00 C ATOM 1223 O ALA B 5 8.374 4.920 -10.170 1.00 0.00 O ATOM 1224 CB ALA B 5 11.004 4.011 -9.031 1.00 0.00 C ATOM 0 H ALA B 5 9.806 2.771 -11.109 1.00 0.00 H new ATOM 0 HA ALA B 5 9.597 2.677 -8.150 1.00 0.00 H new ATOM 0 HB1 ALA B 5 10.998 4.695 -8.182 1.00 0.00 H new ATOM 0 HB2 ALA B 5 11.831 3.308 -8.925 1.00 0.00 H new ATOM 0 HB3 ALA B 5 11.126 4.579 -9.953 1.00 0.00 H new ATOM 1230 N ILE B 6 7.661 4.207 -8.173 1.00 0.00 N ATOM 1231 CA ILE B 6 6.458 5.025 -8.192 1.00 0.00 C ATOM 1232 C ILE B 6 6.697 6.347 -7.481 1.00 0.00 C ATOM 1233 O ILE B 6 7.382 6.396 -6.464 1.00 0.00 O ATOM 1234 CB ILE B 6 5.275 4.305 -7.507 1.00 0.00 C ATOM 1235 CG1 ILE B 6 5.102 2.889 -8.060 1.00 0.00 C ATOM 1236 CG2 ILE B 6 3.990 5.102 -7.686 1.00 0.00 C ATOM 1237 CD1 ILE B 6 4.771 2.855 -9.535 1.00 0.00 C ATOM 0 H ILE B 6 7.780 3.651 -7.326 1.00 0.00 H new ATOM 0 HA ILE B 6 6.211 5.204 -9.238 1.00 0.00 H new ATOM 0 HB ILE B 6 5.496 4.231 -6.442 1.00 0.00 H new ATOM 0 HG12 ILE B 6 6.019 2.326 -7.888 1.00 0.00 H new ATOM 0 HG13 ILE B 6 4.310 2.385 -7.506 1.00 0.00 H new ATOM 0 HG21 ILE B 6 3.167 4.580 -7.197 1.00 0.00 H new ATOM 0 HG22 ILE B 6 4.109 6.090 -7.240 1.00 0.00 H new ATOM 0 HG23 ILE B 6 3.772 5.208 -8.749 1.00 0.00 H new ATOM 0 HD11 ILE B 6 4.662 1.820 -9.860 1.00 0.00 H new ATOM 0 HD12 ILE B 6 3.838 3.390 -9.711 1.00 0.00 H new ATOM 0 HD13 ILE B 6 5.574 3.330 -10.099 1.00 0.00 H new ATOM 1249 N PHE B 7 6.145 7.419 -8.014 1.00 0.00 N ATOM 1250 CA PHE B 7 6.209 8.706 -7.353 1.00 0.00 C ATOM 1251 C PHE B 7 4.809 9.280 -7.210 1.00 0.00 C ATOM 1252 O PHE B 7 4.197 9.700 -8.190 1.00 0.00 O ATOM 1253 CB PHE B 7 7.109 9.677 -8.124 1.00 0.00 C ATOM 1254 CG PHE B 7 7.343 10.979 -7.409 1.00 0.00 C ATOM 1255 CD1 PHE B 7 8.254 11.059 -6.371 1.00 0.00 C ATOM 1256 CD2 PHE B 7 6.646 12.122 -7.773 1.00 0.00 C ATOM 1257 CE1 PHE B 7 8.470 12.253 -5.707 1.00 0.00 C ATOM 1258 CE2 PHE B 7 6.857 13.318 -7.114 1.00 0.00 C ATOM 1259 CZ PHE B 7 7.770 13.383 -6.082 1.00 0.00 C ATOM 0 H PHE B 7 5.647 7.424 -8.904 1.00 0.00 H new ATOM 0 HA PHE B 7 6.641 8.565 -6.362 1.00 0.00 H new ATOM 0 HB2 PHE B 7 8.070 9.197 -8.311 1.00 0.00 H new ATOM 0 HB3 PHE B 7 6.660 9.882 -9.096 1.00 0.00 H new ATOM 0 HD1 PHE B 7 8.804 10.178 -6.075 1.00 0.00 H new ATOM 0 HD2 PHE B 7 5.930 12.076 -8.581 1.00 0.00 H new ATOM 0 HE1 PHE B 7 9.184 12.302 -4.898 1.00 0.00 H new ATOM 0 HE2 PHE B 7 6.308 14.201 -7.407 1.00 0.00 H new ATOM 0 HZ PHE B 7 7.937 14.318 -5.567 1.00 0.00 H new ATOM 1269 N TYR B 8 4.292 9.265 -5.994 1.00 0.00 N ATOM 1270 CA TYR B 8 2.974 9.822 -5.730 1.00 0.00 C ATOM 1271 C TYR B 8 3.103 11.272 -5.302 1.00 0.00 C ATOM 1272 O TYR B 8 3.888 11.593 -4.412 1.00 0.00 O ATOM 1273 CB TYR B 8 2.239 9.021 -4.650 1.00 0.00 C ATOM 1274 CG TYR B 8 1.761 7.662 -5.109 1.00 0.00 C ATOM 1275 CD1 TYR B 8 0.735 7.545 -6.038 1.00 0.00 C ATOM 1276 CD2 TYR B 8 2.323 6.496 -4.606 1.00 0.00 C ATOM 1277 CE1 TYR B 8 0.285 6.308 -6.456 1.00 0.00 C ATOM 1278 CE2 TYR B 8 1.880 5.253 -5.020 1.00 0.00 C ATOM 1279 CZ TYR B 8 0.861 5.163 -5.945 1.00 0.00 C ATOM 1280 OH TYR B 8 0.417 3.927 -6.364 1.00 0.00 O ATOM 0 H TYR B 8 4.761 8.875 -5.176 1.00 0.00 H new ATOM 0 HA TYR B 8 2.391 9.765 -6.649 1.00 0.00 H new ATOM 0 HB2 TYR B 8 2.902 8.891 -3.794 1.00 0.00 H new ATOM 0 HB3 TYR B 8 1.382 9.599 -4.305 1.00 0.00 H new ATOM 0 HD1 TYR B 8 0.281 8.438 -6.441 1.00 0.00 H new ATOM 0 HD2 TYR B 8 3.119 6.561 -3.879 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -0.514 6.237 -7.179 1.00 0.00 H new ATOM 0 HE2 TYR B 8 2.330 4.356 -4.621 1.00 0.00 H new ATOM 0 HH TYR B 8 0.927 3.225 -5.909 1.00 0.00 H new ATOM 1290 N HIS B 9 2.345 12.147 -5.942 1.00 0.00 N ATOM 1291 CA HIS B 9 2.375 13.561 -5.601 1.00 0.00 C ATOM 1292 C HIS B 9 0.960 14.118 -5.504 1.00 0.00 C ATOM 1293 O HIS B 9 0.014 13.529 -6.028 1.00 0.00 O ATOM 1294 CB HIS B 9 3.200 14.357 -6.623 1.00 0.00 C ATOM 1295 CG HIS B 9 2.584 14.448 -7.990 1.00 0.00 C ATOM 1296 ND1 HIS B 9 2.372 13.475 -8.907 1.00 0.00 N flip ATOM 1297 CD2 HIS B 9 2.156 15.648 -8.501 1.00 0.00 C flip ATOM 1298 CE1 HIS B 9 1.808 14.076 -10.004 1.00 0.00 C flip ATOM 1299 NE2 HIS B 9 1.698 15.380 -9.713 1.00 0.00 N flip ATOM 0 H HIS B 9 1.704 11.905 -6.697 1.00 0.00 H new ATOM 0 HA HIS B 9 2.855 13.664 -4.628 1.00 0.00 H new ATOM 0 HB2 HIS B 9 3.353 15.366 -6.240 1.00 0.00 H new ATOM 0 HB3 HIS B 9 4.184 13.898 -6.712 1.00 0.00 H new ATOM 0 HD2 HIS B 9 2.187 16.612 -8.014 1.00 0.00 H new ATOM 0 HE1 HIS B 9 1.511 13.593 -10.923 1.00 0.00 H new ATOM 0 HE2 HIS B 9 1.310 16.078 -10.347 1.00 0.00 H new ATOM 1307 N ALA B 10 0.824 15.242 -4.815 1.00 0.00 N ATOM 1308 CA ALA B 10 -0.474 15.872 -4.631 1.00 0.00 C ATOM 1309 C ALA B 10 -0.513 17.255 -5.278 1.00 0.00 C ATOM 1310 O ALA B 10 -1.476 18.001 -5.107 1.00 0.00 O ATOM 1311 CB ALA B 10 -0.803 15.967 -3.148 1.00 0.00 C ATOM 0 H ALA B 10 1.599 15.737 -4.374 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.226 15.254 -5.121 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -1.777 16.440 -3.021 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -0.826 14.967 -2.716 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -0.042 16.562 -2.644 1.00 0.00 H new ATOM 1317 N GLY B 11 0.524 17.579 -6.043 1.00 0.00 N ATOM 1318 CA GLY B 11 0.608 18.891 -6.661 1.00 0.00 C ATOM 1319 C GLY B 11 0.972 19.972 -5.662 1.00 0.00 C ATOM 1320 O GLY B 11 0.553 21.121 -5.793 1.00 0.00 O ATOM 0 H GLY B 11 1.307 16.958 -6.246 1.00 0.00 H new ATOM 0 HA2 GLY B 11 1.352 18.869 -7.457 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -0.348 19.134 -7.125 1.00 0.00 H new ATOM 1324 N CYS B 12 1.749 19.596 -4.660 1.00 0.00 N ATOM 1325 CA CYS B 12 2.171 20.521 -3.618 1.00 0.00 C ATOM 1326 C CYS B 12 3.538 21.111 -3.965 1.00 0.00 C ATOM 1327 O CYS B 12 4.243 20.574 -4.821 1.00 0.00 O ATOM 1328 CB CYS B 12 2.246 19.782 -2.278 1.00 0.00 C ATOM 1329 SG CYS B 12 0.755 18.849 -1.863 1.00 0.00 S ATOM 0 H CYS B 12 2.104 18.647 -4.545 1.00 0.00 H new ATOM 0 HA CYS B 12 1.447 21.332 -3.543 1.00 0.00 H new ATOM 0 HB2 CYS B 12 3.095 19.098 -2.300 1.00 0.00 H new ATOM 0 HB3 CYS B 12 2.440 20.506 -1.487 1.00 0.00 H new ATOM 0 HG CYS B 12 0.917 18.259 -0.716 1.00 0.00 H new ATOM 1335 N PRO B 13 3.943 22.216 -3.309 1.00 0.00 N ATOM 1336 CA PRO B 13 5.266 22.819 -3.518 1.00 0.00 C ATOM 1337 C PRO B 13 6.391 21.824 -3.242 1.00 0.00 C ATOM 1338 O PRO B 13 7.454 21.877 -3.863 1.00 0.00 O ATOM 1339 CB PRO B 13 5.308 23.977 -2.510 1.00 0.00 C ATOM 1340 CG PRO B 13 4.196 23.711 -1.551 1.00 0.00 C ATOM 1341 CD PRO B 13 3.148 22.974 -2.330 1.00 0.00 C ATOM 0 HA PRO B 13 5.410 23.143 -4.549 1.00 0.00 H new ATOM 0 HB2 PRO B 13 6.269 24.015 -1.996 1.00 0.00 H new ATOM 0 HB3 PRO B 13 5.175 24.937 -3.009 1.00 0.00 H new ATOM 0 HG2 PRO B 13 4.543 23.118 -0.705 1.00 0.00 H new ATOM 0 HG3 PRO B 13 3.799 24.642 -1.146 1.00 0.00 H new ATOM 0 HD2 PRO B 13 2.558 22.316 -1.692 1.00 0.00 H new ATOM 0 HD3 PRO B 13 2.451 23.656 -2.816 1.00 0.00 H new ATOM 1349 N VAL B 14 6.128 20.903 -2.318 1.00 0.00 N ATOM 1350 CA VAL B 14 7.071 19.843 -1.981 1.00 0.00 C ATOM 1351 C VAL B 14 7.339 18.953 -3.194 1.00 0.00 C ATOM 1352 O VAL B 14 8.456 18.478 -3.396 1.00 0.00 O ATOM 1353 CB VAL B 14 6.535 18.974 -0.819 1.00 0.00 C ATOM 1354 CG1 VAL B 14 7.534 17.889 -0.434 1.00 0.00 C ATOM 1355 CG2 VAL B 14 6.199 19.840 0.387 1.00 0.00 C ATOM 0 H VAL B 14 5.259 20.871 -1.785 1.00 0.00 H new ATOM 0 HA VAL B 14 8.001 20.318 -1.670 1.00 0.00 H new ATOM 0 HB VAL B 14 5.623 18.485 -1.162 1.00 0.00 H new ATOM 0 HG11 VAL B 14 7.129 17.295 0.385 1.00 0.00 H new ATOM 0 HG12 VAL B 14 7.719 17.244 -1.293 1.00 0.00 H new ATOM 0 HG13 VAL B 14 8.469 18.351 -0.119 1.00 0.00 H new ATOM 0 HG21 VAL B 14 5.824 19.210 1.194 1.00 0.00 H new ATOM 0 HG22 VAL B 14 7.096 20.362 0.721 1.00 0.00 H new ATOM 0 HG23 VAL B 14 5.437 20.569 0.111 1.00 0.00 H new ATOM 1365 N CYS B 15 6.310 18.758 -4.014 1.00 0.00 N ATOM 1366 CA CYS B 15 6.415 17.902 -5.189 1.00 0.00 C ATOM 1367 C CYS B 15 7.362 18.517 -6.213 1.00 0.00 C ATOM 1368 O CYS B 15 8.207 17.828 -6.775 1.00 0.00 O ATOM 1369 CB CYS B 15 5.034 17.694 -5.815 1.00 0.00 C ATOM 1370 SG CYS B 15 3.769 17.163 -4.636 1.00 0.00 S ATOM 0 H CYS B 15 5.392 19.183 -3.885 1.00 0.00 H new ATOM 0 HA CYS B 15 6.814 16.936 -4.879 1.00 0.00 H new ATOM 0 HB2 CYS B 15 4.714 18.625 -6.282 1.00 0.00 H new ATOM 0 HB3 CYS B 15 5.113 16.950 -6.608 1.00 0.00 H new ATOM 0 HG CYS B 15 4.132 17.494 -3.432 1.00 0.00 H new ATOM 1376 N VAL B 16 7.227 19.824 -6.416 1.00 0.00 N ATOM 1377 CA VAL B 16 8.025 20.543 -7.403 1.00 0.00 C ATOM 1378 C VAL B 16 9.519 20.358 -7.145 1.00 0.00 C ATOM 1379 O VAL B 16 10.259 19.914 -8.022 1.00 0.00 O ATOM 1380 CB VAL B 16 7.694 22.050 -7.397 1.00 0.00 C ATOM 1381 CG1 VAL B 16 8.458 22.775 -8.494 1.00 0.00 C ATOM 1382 CG2 VAL B 16 6.199 22.269 -7.553 1.00 0.00 C ATOM 0 H VAL B 16 6.567 20.410 -5.905 1.00 0.00 H new ATOM 0 HA VAL B 16 7.776 20.126 -8.379 1.00 0.00 H new ATOM 0 HB VAL B 16 8.004 22.463 -6.437 1.00 0.00 H new ATOM 0 HG11 VAL B 16 8.209 23.836 -8.471 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.529 22.650 -8.335 1.00 0.00 H new ATOM 0 HG13 VAL B 16 8.184 22.359 -9.464 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.985 23.338 -7.546 1.00 0.00 H new ATOM 0 HG22 VAL B 16 5.865 21.838 -8.497 1.00 0.00 H new ATOM 0 HG23 VAL B 16 5.673 21.789 -6.728 1.00 0.00 H new ATOM 1392 N SER B 17 9.949 20.682 -5.932 1.00 0.00 N ATOM 1393 CA SER B 17 11.353 20.573 -5.562 1.00 0.00 C ATOM 1394 C SER B 17 11.824 19.119 -5.604 1.00 0.00 C ATOM 1395 O SER B 17 12.967 18.836 -5.973 1.00 0.00 O ATOM 1396 CB SER B 17 11.563 21.167 -4.169 1.00 0.00 C ATOM 1397 OG SER B 17 11.047 22.487 -4.108 1.00 0.00 O ATOM 0 H SER B 17 9.343 21.023 -5.186 1.00 0.00 H new ATOM 0 HA SER B 17 11.948 21.132 -6.284 1.00 0.00 H new ATOM 0 HB2 SER B 17 11.070 20.543 -3.423 1.00 0.00 H new ATOM 0 HB3 SER B 17 12.626 21.174 -3.927 1.00 0.00 H new ATOM 0 HG SER B 17 11.188 22.852 -3.210 1.00 0.00 H new ATOM 1403 N ALA B 18 10.931 18.198 -5.245 1.00 0.00 N ATOM 1404 CA ALA B 18 11.244 16.775 -5.287 1.00 0.00 C ATOM 1405 C ALA B 18 11.486 16.324 -6.722 1.00 0.00 C ATOM 1406 O ALA B 18 12.392 15.535 -6.990 1.00 0.00 O ATOM 1407 CB ALA B 18 10.125 15.961 -4.653 1.00 0.00 C ATOM 0 H ALA B 18 9.988 18.413 -4.923 1.00 0.00 H new ATOM 0 HA ALA B 18 12.156 16.607 -4.714 1.00 0.00 H new ATOM 0 HB1 ALA B 18 10.378 14.901 -4.694 1.00 0.00 H new ATOM 0 HB2 ALA B 18 9.999 16.264 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.196 16.134 -5.197 1.00 0.00 H new ATOM 1413 N GLU B 19 10.677 16.836 -7.643 1.00 0.00 N ATOM 1414 CA GLU B 19 10.845 16.540 -9.059 1.00 0.00 C ATOM 1415 C GLU B 19 12.184 17.065 -9.561 1.00 0.00 C ATOM 1416 O GLU B 19 12.955 16.332 -10.176 1.00 0.00 O ATOM 1417 CB GLU B 19 9.715 17.162 -9.882 1.00 0.00 C ATOM 1418 CG GLU B 19 8.346 16.569 -9.606 1.00 0.00 C ATOM 1419 CD GLU B 19 7.253 17.282 -10.374 1.00 0.00 C ATOM 1420 OE1 GLU B 19 6.971 16.883 -11.524 1.00 0.00 O ATOM 1421 OE2 GLU B 19 6.680 18.254 -9.839 1.00 0.00 O ATOM 0 H GLU B 19 9.897 17.459 -7.433 1.00 0.00 H new ATOM 0 HA GLU B 19 10.817 15.457 -9.178 1.00 0.00 H new ATOM 0 HB2 GLU B 19 9.682 18.233 -9.682 1.00 0.00 H new ATOM 0 HB3 GLU B 19 9.944 17.043 -10.941 1.00 0.00 H new ATOM 0 HG2 GLU B 19 8.348 15.513 -9.875 1.00 0.00 H new ATOM 0 HG3 GLU B 19 8.135 16.626 -8.538 1.00 0.00 H new ATOM 1428 N GLN B 20 12.458 18.331 -9.268 1.00 0.00 N ATOM 1429 CA GLN B 20 13.654 19.008 -9.763 1.00 0.00 C ATOM 1430 C GLN B 20 14.939 18.319 -9.314 1.00 0.00 C ATOM 1431 O GLN B 20 15.931 18.313 -10.040 1.00 0.00 O ATOM 1432 CB GLN B 20 13.666 20.462 -9.294 1.00 0.00 C ATOM 1433 CG GLN B 20 12.483 21.272 -9.794 1.00 0.00 C ATOM 1434 CD GLN B 20 12.483 22.688 -9.260 1.00 0.00 C ATOM 1435 OE1 GLN B 20 12.973 22.950 -8.160 1.00 0.00 O ATOM 1436 NE2 GLN B 20 11.935 23.610 -10.033 1.00 0.00 N ATOM 0 H GLN B 20 11.861 18.916 -8.683 1.00 0.00 H new ATOM 0 HA GLN B 20 13.618 18.966 -10.852 1.00 0.00 H new ATOM 0 HB2 GLN B 20 13.676 20.483 -8.204 1.00 0.00 H new ATOM 0 HB3 GLN B 20 14.588 20.936 -9.630 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.499 21.298 -10.884 1.00 0.00 H new ATOM 0 HG3 GLN B 20 11.558 20.776 -9.501 1.00 0.00 H new ATOM 0 HE21 GLN B 20 11.541 23.349 -10.937 1.00 0.00 H new ATOM 0 HE22 GLN B 20 11.906 24.582 -9.726 1.00 0.00 H new ATOM 1445 N ALA B 21 14.927 17.748 -8.119 1.00 0.00 N ATOM 1446 CA ALA B 21 16.120 17.113 -7.581 1.00 0.00 C ATOM 1447 C ALA B 21 16.042 15.592 -7.669 1.00 0.00 C ATOM 1448 O ALA B 21 16.764 14.973 -8.448 1.00 0.00 O ATOM 1449 CB ALA B 21 16.350 17.552 -6.145 1.00 0.00 C ATOM 0 H ALA B 21 14.111 17.711 -7.508 1.00 0.00 H new ATOM 0 HA ALA B 21 16.966 17.432 -8.190 1.00 0.00 H new ATOM 0 HB1 ALA B 21 17.246 17.069 -5.756 1.00 0.00 H new ATOM 0 HB2 ALA B 21 16.478 18.634 -6.111 1.00 0.00 H new ATOM 0 HB3 ALA B 21 15.492 17.269 -5.536 1.00 0.00 H new ATOM 1455 N VAL B 22 15.146 14.998 -6.890 1.00 0.00 N ATOM 1456 CA VAL B 22 15.070 13.544 -6.771 1.00 0.00 C ATOM 1457 C VAL B 22 14.648 12.893 -8.086 1.00 0.00 C ATOM 1458 O VAL B 22 15.282 11.944 -8.549 1.00 0.00 O ATOM 1459 CB VAL B 22 14.089 13.122 -5.655 1.00 0.00 C ATOM 1460 CG1 VAL B 22 14.078 11.610 -5.485 1.00 0.00 C ATOM 1461 CG2 VAL B 22 14.441 13.807 -4.343 1.00 0.00 C ATOM 0 H VAL B 22 14.459 15.501 -6.329 1.00 0.00 H new ATOM 0 HA VAL B 22 16.072 13.199 -6.514 1.00 0.00 H new ATOM 0 HB VAL B 22 13.088 13.437 -5.948 1.00 0.00 H new ATOM 0 HG11 VAL B 22 13.380 11.338 -4.694 1.00 0.00 H new ATOM 0 HG12 VAL B 22 13.768 11.141 -6.419 1.00 0.00 H new ATOM 0 HG13 VAL B 22 15.078 11.266 -5.220 1.00 0.00 H new ATOM 0 HG21 VAL B 22 13.738 13.496 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL B 22 15.452 13.528 -4.047 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.385 14.888 -4.471 1.00 0.00 H new ATOM 1471 N ALA B 23 13.594 13.420 -8.699 1.00 0.00 N ATOM 1472 CA ALA B 23 13.056 12.831 -9.922 1.00 0.00 C ATOM 1473 C ALA B 23 13.962 13.099 -11.122 1.00 0.00 C ATOM 1474 O ALA B 23 13.767 12.531 -12.193 1.00 0.00 O ATOM 1475 CB ALA B 23 11.652 13.343 -10.193 1.00 0.00 C ATOM 0 H ALA B 23 13.097 14.249 -8.373 1.00 0.00 H new ATOM 0 HA ALA B 23 13.012 11.752 -9.773 1.00 0.00 H new ATOM 0 HB1 ALA B 23 11.270 12.891 -11.109 1.00 0.00 H new ATOM 0 HB2 ALA B 23 11.001 13.079 -9.360 1.00 0.00 H new ATOM 0 HB3 ALA B 23 11.675 14.427 -10.305 1.00 0.00 H new ATOM 1481 N ASN B 24 14.941 13.978 -10.949 1.00 0.00 N ATOM 1482 CA ASN B 24 15.918 14.240 -12.000 1.00 0.00 C ATOM 1483 C ASN B 24 17.190 13.443 -11.751 1.00 0.00 C ATOM 1484 O ASN B 24 17.932 13.132 -12.682 1.00 0.00 O ATOM 1485 CB ASN B 24 16.247 15.734 -12.102 1.00 0.00 C ATOM 1486 CG ASN B 24 15.203 16.526 -12.877 1.00 0.00 C ATOM 1487 OD1 ASN B 24 13.948 16.118 -12.793 1.00 0.00 O flip ATOM 1488 ND2 ASN B 24 15.527 17.509 -13.545 1.00 0.00 N flip ATOM 0 H ASN B 24 15.080 14.519 -10.096 1.00 0.00 H new ATOM 0 HA ASN B 24 15.477 13.926 -12.946 1.00 0.00 H new ATOM 0 HB2 ASN B 24 16.337 16.149 -11.098 1.00 0.00 H new ATOM 0 HB3 ASN B 24 17.217 15.854 -12.585 1.00 0.00 H new ATOM 0 HD21 ASN B 24 16.505 17.797 -13.588 1.00 0.00 H new ATOM 0 HD22 ASN B 24 14.818 18.035 -14.055 1.00 0.00 H new ATOM 1495 N ALA B 25 17.432 13.112 -10.488 1.00 0.00 N ATOM 1496 CA ALA B 25 18.585 12.305 -10.116 1.00 0.00 C ATOM 1497 C ALA B 25 18.410 10.870 -10.592 1.00 0.00 C ATOM 1498 O ALA B 25 19.378 10.200 -10.951 1.00 0.00 O ATOM 1499 CB ALA B 25 18.797 12.343 -8.609 1.00 0.00 C ATOM 0 H ALA B 25 16.843 13.391 -9.704 1.00 0.00 H new ATOM 0 HA ALA B 25 19.467 12.723 -10.601 1.00 0.00 H new ATOM 0 HB1 ALA B 25 19.663 11.735 -8.348 1.00 0.00 H new ATOM 0 HB2 ALA B 25 18.967 13.372 -8.291 1.00 0.00 H new ATOM 0 HB3 ALA B 25 17.913 11.950 -8.107 1.00 0.00 H new ATOM 1505 N ILE B 26 17.170 10.408 -10.592 1.00 0.00 N ATOM 1506 CA ILE B 26 16.854 9.074 -11.069 1.00 0.00 C ATOM 1507 C ILE B 26 16.400 9.130 -12.523 1.00 0.00 C ATOM 1508 O ILE B 26 15.315 9.627 -12.830 1.00 0.00 O ATOM 1509 CB ILE B 26 15.758 8.407 -10.212 1.00 0.00 C ATOM 1510 CG1 ILE B 26 16.179 8.390 -8.738 1.00 0.00 C ATOM 1511 CG2 ILE B 26 15.483 6.991 -10.708 1.00 0.00 C ATOM 1512 CD1 ILE B 26 15.128 7.814 -7.813 1.00 0.00 C ATOM 0 H ILE B 26 16.364 10.941 -10.265 1.00 0.00 H new ATOM 0 HA ILE B 26 17.760 8.474 -10.989 1.00 0.00 H new ATOM 0 HB ILE B 26 14.839 8.986 -10.304 1.00 0.00 H new ATOM 0 HG12 ILE B 26 17.096 7.810 -8.638 1.00 0.00 H new ATOM 0 HG13 ILE B 26 16.409 9.408 -8.423 1.00 0.00 H new ATOM 0 HG21 ILE B 26 14.708 6.534 -10.093 1.00 0.00 H new ATOM 0 HG22 ILE B 26 15.149 7.027 -11.745 1.00 0.00 H new ATOM 0 HG23 ILE B 26 16.395 6.398 -10.641 1.00 0.00 H new ATOM 0 HD11 ILE B 26 15.496 7.834 -6.787 1.00 0.00 H new ATOM 0 HD12 ILE B 26 14.217 8.408 -7.884 1.00 0.00 H new ATOM 0 HD13 ILE B 26 14.914 6.785 -8.101 1.00 0.00 H new ATOM 1524 N ASP B 27 17.248 8.640 -13.415 1.00 0.00 N ATOM 1525 CA ASP B 27 16.954 8.642 -14.843 1.00 0.00 C ATOM 1526 C ASP B 27 15.848 7.648 -15.170 1.00 0.00 C ATOM 1527 O ASP B 27 15.872 6.512 -14.696 1.00 0.00 O ATOM 1528 CB ASP B 27 18.204 8.275 -15.651 1.00 0.00 C ATOM 1529 CG ASP B 27 19.383 9.175 -15.358 1.00 0.00 C ATOM 1530 OD1 ASP B 27 19.378 10.339 -15.811 1.00 0.00 O ATOM 1531 OD2 ASP B 27 20.333 8.715 -14.692 1.00 0.00 O ATOM 0 H ASP B 27 18.152 8.233 -13.174 1.00 0.00 H new ATOM 0 HA ASP B 27 16.627 9.647 -15.110 1.00 0.00 H new ATOM 0 HB2 ASP B 27 18.479 7.243 -15.435 1.00 0.00 H new ATOM 0 HB3 ASP B 27 17.970 8.326 -16.714 1.00 0.00 H new ATOM 1536 N PRO B 28 14.859 8.060 -15.979 1.00 0.00 N ATOM 1537 CA PRO B 28 13.810 7.159 -16.473 1.00 0.00 C ATOM 1538 C PRO B 28 14.379 5.994 -17.286 1.00 0.00 C ATOM 1539 O PRO B 28 13.783 4.921 -17.352 1.00 0.00 O ATOM 1540 CB PRO B 28 12.947 8.058 -17.362 1.00 0.00 C ATOM 1541 CG PRO B 28 13.230 9.445 -16.898 1.00 0.00 C ATOM 1542 CD PRO B 28 14.660 9.442 -16.441 1.00 0.00 C ATOM 0 HA PRO B 28 13.259 6.695 -15.655 1.00 0.00 H new ATOM 0 HB2 PRO B 28 13.202 7.934 -18.414 1.00 0.00 H new ATOM 0 HB3 PRO B 28 11.889 7.816 -17.260 1.00 0.00 H new ATOM 0 HG2 PRO B 28 13.079 10.165 -17.703 1.00 0.00 H new ATOM 0 HG3 PRO B 28 12.561 9.729 -16.086 1.00 0.00 H new ATOM 0 HD2 PRO B 28 15.343 9.699 -17.251 1.00 0.00 H new ATOM 0 HD3 PRO B 28 14.829 10.163 -15.641 1.00 0.00 H new ATOM 1550 N SER B 29 15.534 6.213 -17.906 1.00 0.00 N ATOM 1551 CA SER B 29 16.214 5.159 -18.647 1.00 0.00 C ATOM 1552 C SER B 29 16.914 4.206 -17.679 1.00 0.00 C ATOM 1553 O SER B 29 17.246 3.074 -18.029 1.00 0.00 O ATOM 1554 CB SER B 29 17.227 5.768 -19.627 1.00 0.00 C ATOM 1555 OG SER B 29 17.796 4.784 -20.481 1.00 0.00 O ATOM 0 H SER B 29 16.018 7.111 -17.910 1.00 0.00 H new ATOM 0 HA SER B 29 15.476 4.596 -19.218 1.00 0.00 H new ATOM 0 HB2 SER B 29 16.735 6.531 -20.230 1.00 0.00 H new ATOM 0 HB3 SER B 29 18.019 6.265 -19.068 1.00 0.00 H new ATOM 0 HG SER B 29 18.434 5.210 -21.091 1.00 0.00 H new ATOM 1561 N LYS B 30 17.122 4.672 -16.455 1.00 0.00 N ATOM 1562 CA LYS B 30 17.794 3.879 -15.438 1.00 0.00 C ATOM 1563 C LYS B 30 16.774 3.090 -14.623 1.00 0.00 C ATOM 1564 O LYS B 30 16.995 1.928 -14.294 1.00 0.00 O ATOM 1565 CB LYS B 30 18.620 4.787 -14.525 1.00 0.00 C ATOM 1566 CG LYS B 30 19.392 4.037 -13.458 1.00 0.00 C ATOM 1567 CD LYS B 30 20.179 4.985 -12.574 1.00 0.00 C ATOM 1568 CE LYS B 30 20.914 4.235 -11.477 1.00 0.00 C ATOM 1569 NZ LYS B 30 21.869 3.235 -12.025 1.00 0.00 N ATOM 0 H LYS B 30 16.833 5.599 -16.143 1.00 0.00 H new ATOM 0 HA LYS B 30 18.465 3.173 -15.928 1.00 0.00 H new ATOM 0 HB2 LYS B 30 19.320 5.359 -15.133 1.00 0.00 H new ATOM 0 HB3 LYS B 30 17.956 5.505 -14.044 1.00 0.00 H new ATOM 0 HG2 LYS B 30 18.701 3.457 -12.847 1.00 0.00 H new ATOM 0 HG3 LYS B 30 20.072 3.328 -13.930 1.00 0.00 H new ATOM 0 HD2 LYS B 30 20.895 5.541 -13.180 1.00 0.00 H new ATOM 0 HD3 LYS B 30 19.504 5.715 -12.128 1.00 0.00 H new ATOM 0 HE2 LYS B 30 21.454 4.946 -10.851 1.00 0.00 H new ATOM 0 HE3 LYS B 30 20.191 3.731 -10.836 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 22.632 3.071 -11.338 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 21.369 2.341 -12.208 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 22.275 3.593 -12.913 1.00 0.00 H new ATOM 1583 N TYR B 31 15.663 3.737 -14.295 1.00 0.00 N ATOM 1584 CA TYR B 31 14.557 3.083 -13.607 1.00 0.00 C ATOM 1585 C TYR B 31 13.238 3.613 -14.141 1.00 0.00 C ATOM 1586 O TYR B 31 13.126 4.797 -14.463 1.00 0.00 O ATOM 1587 CB TYR B 31 14.630 3.309 -12.090 1.00 0.00 C ATOM 1588 CG TYR B 31 15.766 2.577 -11.411 1.00 0.00 C ATOM 1589 CD1 TYR B 31 15.715 1.202 -11.227 1.00 0.00 C ATOM 1590 CD2 TYR B 31 16.889 3.259 -10.961 1.00 0.00 C ATOM 1591 CE1 TYR B 31 16.751 0.525 -10.612 1.00 0.00 C ATOM 1592 CE2 TYR B 31 17.929 2.589 -10.346 1.00 0.00 C ATOM 1593 CZ TYR B 31 17.855 1.223 -10.174 1.00 0.00 C ATOM 1594 OH TYR B 31 18.892 0.553 -9.566 1.00 0.00 O ATOM 0 H TYR B 31 15.503 4.724 -14.497 1.00 0.00 H new ATOM 0 HA TYR B 31 14.628 2.011 -13.793 1.00 0.00 H new ATOM 0 HB2 TYR B 31 14.733 4.377 -11.897 1.00 0.00 H new ATOM 0 HB3 TYR B 31 13.688 2.993 -11.641 1.00 0.00 H new ATOM 0 HD1 TYR B 31 14.851 0.652 -11.570 1.00 0.00 H new ATOM 0 HD2 TYR B 31 16.950 4.329 -11.094 1.00 0.00 H new ATOM 0 HE1 TYR B 31 16.695 -0.545 -10.476 1.00 0.00 H new ATOM 0 HE2 TYR B 31 18.796 3.133 -10.001 1.00 0.00 H new ATOM 0 HH TYR B 31 19.593 1.191 -9.318 1.00 0.00 H new ATOM 1604 N THR B 32 12.242 2.746 -14.235 1.00 0.00 N ATOM 1605 CA THR B 32 10.942 3.142 -14.743 1.00 0.00 C ATOM 1606 C THR B 32 10.177 3.921 -13.675 1.00 0.00 C ATOM 1607 O THR B 32 9.536 3.336 -12.799 1.00 0.00 O ATOM 1608 CB THR B 32 10.124 1.914 -15.193 1.00 0.00 C ATOM 1609 OG1 THR B 32 10.917 1.106 -16.076 1.00 0.00 O ATOM 1610 CG2 THR B 32 8.846 2.339 -15.904 1.00 0.00 C ATOM 0 H THR B 32 12.311 1.765 -13.966 1.00 0.00 H new ATOM 0 HA THR B 32 11.097 3.783 -15.611 1.00 0.00 H new ATOM 0 HB THR B 32 9.851 1.340 -14.308 1.00 0.00 H new ATOM 0 HG1 THR B 32 10.397 0.325 -16.360 1.00 0.00 H new ATOM 0 HG21 THR B 32 8.289 1.454 -16.211 1.00 0.00 H new ATOM 0 HG22 THR B 32 8.235 2.937 -15.228 1.00 0.00 H new ATOM 0 HG23 THR B 32 9.099 2.931 -16.784 1.00 0.00 H new ATOM 1618 N VAL B 33 10.289 5.241 -13.729 1.00 0.00 N ATOM 1619 CA VAL B 33 9.643 6.104 -12.753 1.00 0.00 C ATOM 1620 C VAL B 33 8.222 6.440 -13.188 1.00 0.00 C ATOM 1621 O VAL B 33 8.011 7.155 -14.168 1.00 0.00 O ATOM 1622 CB VAL B 33 10.436 7.412 -12.540 1.00 0.00 C ATOM 1623 CG1 VAL B 33 9.787 8.267 -11.460 1.00 0.00 C ATOM 1624 CG2 VAL B 33 11.884 7.110 -12.187 1.00 0.00 C ATOM 0 H VAL B 33 10.823 5.738 -14.442 1.00 0.00 H new ATOM 0 HA VAL B 33 9.614 5.558 -11.810 1.00 0.00 H new ATOM 0 HB VAL B 33 10.421 7.974 -13.474 1.00 0.00 H new ATOM 0 HG11 VAL B 33 10.362 9.183 -11.327 1.00 0.00 H new ATOM 0 HG12 VAL B 33 8.769 8.518 -11.757 1.00 0.00 H new ATOM 0 HG13 VAL B 33 9.765 7.713 -10.522 1.00 0.00 H new ATOM 0 HG21 VAL B 33 12.425 8.045 -12.041 1.00 0.00 H new ATOM 0 HG22 VAL B 33 11.920 6.523 -11.269 1.00 0.00 H new ATOM 0 HG23 VAL B 33 12.346 6.546 -12.997 1.00 0.00 H new ATOM 1634 N GLU B 34 7.255 5.919 -12.454 1.00 0.00 N ATOM 1635 CA GLU B 34 5.855 6.166 -12.747 1.00 0.00 C ATOM 1636 C GLU B 34 5.285 7.150 -11.736 1.00 0.00 C ATOM 1637 O GLU B 34 5.109 6.823 -10.562 1.00 0.00 O ATOM 1638 CB GLU B 34 5.071 4.852 -12.732 1.00 0.00 C ATOM 1639 CG GLU B 34 3.621 4.998 -13.156 1.00 0.00 C ATOM 1640 CD GLU B 34 2.915 3.666 -13.261 1.00 0.00 C ATOM 1641 OE1 GLU B 34 2.956 3.050 -14.347 1.00 0.00 O ATOM 1642 OE2 GLU B 34 2.328 3.215 -12.257 1.00 0.00 O ATOM 0 H GLU B 34 7.416 5.318 -11.645 1.00 0.00 H new ATOM 0 HA GLU B 34 5.767 6.600 -13.743 1.00 0.00 H new ATOM 0 HB2 GLU B 34 5.563 4.139 -13.393 1.00 0.00 H new ATOM 0 HB3 GLU B 34 5.105 4.431 -11.727 1.00 0.00 H new ATOM 0 HG2 GLU B 34 3.097 5.628 -12.438 1.00 0.00 H new ATOM 0 HG3 GLU B 34 3.576 5.507 -14.119 1.00 0.00 H new ATOM 1649 N ILE B 35 5.028 8.364 -12.192 1.00 0.00 N ATOM 1650 CA ILE B 35 4.537 9.418 -11.321 1.00 0.00 C ATOM 1651 C ILE B 35 3.016 9.498 -11.396 1.00 0.00 C ATOM 1652 O ILE B 35 2.446 9.679 -12.474 1.00 0.00 O ATOM 1653 CB ILE B 35 5.154 10.782 -11.697 1.00 0.00 C ATOM 1654 CG1 ILE B 35 6.683 10.690 -11.684 1.00 0.00 C ATOM 1655 CG2 ILE B 35 4.678 11.862 -10.736 1.00 0.00 C ATOM 1656 CD1 ILE B 35 7.377 11.962 -12.125 1.00 0.00 C ATOM 0 H ILE B 35 5.152 8.645 -13.165 1.00 0.00 H new ATOM 0 HA ILE B 35 4.834 9.177 -10.300 1.00 0.00 H new ATOM 0 HB ILE B 35 4.829 11.049 -12.703 1.00 0.00 H new ATOM 0 HG12 ILE B 35 7.014 10.438 -10.676 1.00 0.00 H new ATOM 0 HG13 ILE B 35 6.994 9.873 -12.335 1.00 0.00 H new ATOM 0 HG21 ILE B 35 5.122 12.818 -11.014 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.592 11.939 -10.784 1.00 0.00 H new ATOM 0 HG23 ILE B 35 4.979 11.604 -9.721 1.00 0.00 H new ATOM 0 HD11 ILE B 35 8.457 11.818 -12.089 1.00 0.00 H new ATOM 0 HD12 ILE B 35 7.077 12.206 -13.144 1.00 0.00 H new ATOM 0 HD13 ILE B 35 7.097 12.779 -11.459 1.00 0.00 H new ATOM 1668 N VAL B 36 2.366 9.356 -10.251 1.00 0.00 N ATOM 1669 CA VAL B 36 0.911 9.341 -10.189 1.00 0.00 C ATOM 1670 C VAL B 36 0.403 10.381 -9.196 1.00 0.00 C ATOM 1671 O VAL B 36 0.904 10.480 -8.074 1.00 0.00 O ATOM 1672 CB VAL B 36 0.375 7.949 -9.780 1.00 0.00 C ATOM 1673 CG1 VAL B 36 -1.147 7.921 -9.813 1.00 0.00 C ATOM 1674 CG2 VAL B 36 0.948 6.861 -10.677 1.00 0.00 C ATOM 0 H VAL B 36 2.826 9.249 -9.347 1.00 0.00 H new ATOM 0 HA VAL B 36 0.546 9.579 -11.188 1.00 0.00 H new ATOM 0 HB VAL B 36 0.698 7.754 -8.757 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -1.499 6.931 -9.521 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -1.540 8.665 -9.120 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -1.493 8.147 -10.822 1.00 0.00 H new ATOM 0 HG21 VAL B 36 0.556 5.892 -10.369 1.00 0.00 H new ATOM 0 HG22 VAL B 36 0.664 7.055 -11.711 1.00 0.00 H new ATOM 0 HG23 VAL B 36 2.035 6.856 -10.594 1.00 0.00 H new ATOM 1684 N HIS B 37 -0.582 11.162 -9.616 1.00 0.00 N ATOM 1685 CA HIS B 37 -1.181 12.162 -8.748 1.00 0.00 C ATOM 1686 C HIS B 37 -2.184 11.502 -7.806 1.00 0.00 C ATOM 1687 O HIS B 37 -3.130 10.843 -8.244 1.00 0.00 O ATOM 1688 CB HIS B 37 -1.861 13.251 -9.583 1.00 0.00 C ATOM 1689 CG HIS B 37 -2.317 14.433 -8.782 1.00 0.00 C ATOM 1690 ND1 HIS B 37 -1.626 15.532 -8.397 1.00 0.00 N flip ATOM 1691 CD2 HIS B 37 -3.610 14.536 -8.327 1.00 0.00 C flip ATOM 1692 CE1 HIS B 37 -2.499 16.326 -7.700 1.00 0.00 C flip ATOM 1693 NE2 HIS B 37 -3.676 15.688 -7.683 1.00 0.00 N flip ATOM 0 H HIS B 37 -0.983 11.121 -10.553 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.397 12.628 -8.151 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -1.168 13.591 -10.353 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -2.720 12.819 -10.096 1.00 0.00 H new ATOM 0 HD1 HIS B 37 -0.644 15.731 -8.589 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -4.408 13.822 -8.467 1.00 0.00 H new ATOM 0 HE1 HIS B 37 -2.280 17.283 -7.250 1.00 0.00 H new ATOM 1701 N LEU B 38 -1.964 11.675 -6.512 1.00 0.00 N ATOM 1702 CA LEU B 38 -2.807 11.063 -5.495 1.00 0.00 C ATOM 1703 C LEU B 38 -3.356 12.138 -4.554 1.00 0.00 C ATOM 1704 O LEU B 38 -3.821 11.851 -3.456 1.00 0.00 O ATOM 1705 CB LEU B 38 -1.995 10.019 -4.712 1.00 0.00 C ATOM 1706 CG LEU B 38 -2.786 9.173 -3.710 1.00 0.00 C ATOM 1707 CD1 LEU B 38 -3.848 8.352 -4.422 1.00 0.00 C ATOM 1708 CD2 LEU B 38 -1.849 8.269 -2.924 1.00 0.00 C ATOM 0 H LEU B 38 -1.201 12.240 -6.138 1.00 0.00 H new ATOM 0 HA LEU B 38 -3.649 10.564 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -1.516 9.349 -5.426 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -1.199 10.534 -4.175 1.00 0.00 H new ATOM 0 HG LEU B 38 -3.286 9.844 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -4.399 7.758 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -4.536 9.019 -4.941 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -3.372 7.689 -5.144 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -2.426 7.674 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -1.322 7.606 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -1.126 8.878 -2.381 1.00 0.00 H new ATOM 1720 N GLY B 39 -3.317 13.383 -5.006 1.00 0.00 N ATOM 1721 CA GLY B 39 -3.763 14.480 -4.170 1.00 0.00 C ATOM 1722 C GLY B 39 -5.218 14.838 -4.391 1.00 0.00 C ATOM 1723 O GLY B 39 -5.727 15.789 -3.801 1.00 0.00 O ATOM 0 H GLY B 39 -2.986 13.653 -5.932 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -3.614 14.216 -3.123 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -3.145 15.356 -4.368 1.00 0.00 H new ATOM 1727 N THR B 40 -5.885 14.098 -5.264 1.00 0.00 N ATOM 1728 CA THR B 40 -7.292 14.353 -5.550 1.00 0.00 C ATOM 1729 C THR B 40 -8.079 13.052 -5.767 1.00 0.00 C ATOM 1730 O THR B 40 -9.301 13.022 -5.598 1.00 0.00 O ATOM 1731 CB THR B 40 -7.437 15.268 -6.787 1.00 0.00 C ATOM 1732 OG1 THR B 40 -6.574 16.404 -6.641 1.00 0.00 O ATOM 1733 CG2 THR B 40 -8.872 15.748 -6.958 1.00 0.00 C ATOM 0 H THR B 40 -5.479 13.320 -5.785 1.00 0.00 H new ATOM 0 HA THR B 40 -7.711 14.856 -4.678 1.00 0.00 H new ATOM 0 HB THR B 40 -7.161 14.692 -7.670 1.00 0.00 H new ATOM 0 HG1 THR B 40 -5.681 16.182 -6.978 1.00 0.00 H new ATOM 0 HG21 THR B 40 -8.939 16.389 -7.837 1.00 0.00 H new ATOM 0 HG22 THR B 40 -9.530 14.889 -7.085 1.00 0.00 H new ATOM 0 HG23 THR B 40 -9.175 16.310 -6.075 1.00 0.00 H new ATOM 1741 N ASP B 41 -7.386 11.972 -6.119 1.00 0.00 N ATOM 1742 CA ASP B 41 -8.056 10.711 -6.399 1.00 0.00 C ATOM 1743 C ASP B 41 -8.196 9.878 -5.133 1.00 0.00 C ATOM 1744 O ASP B 41 -7.202 9.481 -4.524 1.00 0.00 O ATOM 1745 CB ASP B 41 -7.303 9.913 -7.463 1.00 0.00 C ATOM 1746 CG ASP B 41 -8.064 8.673 -7.867 1.00 0.00 C ATOM 1747 OD1 ASP B 41 -8.970 8.786 -8.721 1.00 0.00 O ATOM 1748 OD2 ASP B 41 -7.783 7.591 -7.317 1.00 0.00 O ATOM 0 H ASP B 41 -6.371 11.947 -6.216 1.00 0.00 H new ATOM 0 HA ASP B 41 -9.051 10.945 -6.778 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -7.136 10.540 -8.339 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -6.322 9.631 -7.081 1.00 0.00 H new ATOM 1753 N LYS B 42 -9.435 9.633 -4.737 1.00 0.00 N ATOM 1754 CA LYS B 42 -9.717 8.884 -3.520 1.00 0.00 C ATOM 1755 C LYS B 42 -9.810 7.384 -3.785 1.00 0.00 C ATOM 1756 O LYS B 42 -9.845 6.582 -2.850 1.00 0.00 O ATOM 1757 CB LYS B 42 -11.006 9.393 -2.874 1.00 0.00 C ATOM 1758 CG LYS B 42 -10.930 10.855 -2.466 1.00 0.00 C ATOM 1759 CD LYS B 42 -12.206 11.323 -1.791 1.00 0.00 C ATOM 1760 CE LYS B 42 -12.108 12.783 -1.388 1.00 0.00 C ATOM 1761 NZ LYS B 42 -13.343 13.259 -0.716 1.00 0.00 N ATOM 0 H LYS B 42 -10.265 9.943 -5.242 1.00 0.00 H new ATOM 0 HA LYS B 42 -8.886 9.043 -2.833 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -11.833 9.259 -3.572 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -11.229 8.788 -1.995 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -10.088 10.999 -1.789 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -10.740 11.468 -3.347 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -13.050 11.185 -2.467 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -12.400 10.712 -0.910 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -11.257 12.918 -0.720 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -11.919 13.391 -2.273 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -13.234 14.260 -0.458 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -14.152 13.154 -1.361 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -13.510 12.696 0.142 1.00 0.00 H new ATOM 1775 N ALA B 43 -9.847 7.000 -5.053 1.00 0.00 N ATOM 1776 CA ALA B 43 -9.950 5.593 -5.414 1.00 0.00 C ATOM 1777 C ALA B 43 -8.629 4.874 -5.175 1.00 0.00 C ATOM 1778 O ALA B 43 -8.597 3.773 -4.624 1.00 0.00 O ATOM 1779 CB ALA B 43 -10.378 5.444 -6.866 1.00 0.00 C ATOM 0 H ALA B 43 -9.807 7.640 -5.846 1.00 0.00 H new ATOM 0 HA ALA B 43 -10.709 5.135 -4.779 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -10.450 4.386 -7.117 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -11.349 5.918 -7.009 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -9.642 5.922 -7.513 1.00 0.00 H new ATOM 1785 N ARG B 44 -7.534 5.517 -5.567 1.00 0.00 N ATOM 1786 CA ARG B 44 -6.207 4.923 -5.438 1.00 0.00 C ATOM 1787 C ARG B 44 -5.731 4.894 -3.990 1.00 0.00 C ATOM 1788 O ARG B 44 -4.673 4.343 -3.702 1.00 0.00 O ATOM 1789 CB ARG B 44 -5.195 5.681 -6.294 1.00 0.00 C ATOM 1790 CG ARG B 44 -5.463 5.572 -7.780 1.00 0.00 C ATOM 1791 CD ARG B 44 -4.538 6.469 -8.580 1.00 0.00 C ATOM 1792 NE ARG B 44 -4.891 6.478 -9.997 1.00 0.00 N ATOM 1793 CZ ARG B 44 -5.057 7.585 -10.716 1.00 0.00 C ATOM 1794 NH1 ARG B 44 -4.888 8.781 -10.159 1.00 0.00 N ATOM 1795 NH2 ARG B 44 -5.395 7.494 -11.992 1.00 0.00 N ATOM 0 H ARG B 44 -7.539 6.451 -5.977 1.00 0.00 H new ATOM 0 HA ARG B 44 -6.284 3.894 -5.788 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -5.203 6.733 -6.007 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -4.195 5.301 -6.084 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -5.334 4.538 -8.099 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -6.499 5.842 -7.984 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -4.585 7.484 -8.186 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -3.509 6.129 -8.463 1.00 0.00 H new ATOM 0 HE ARG B 44 -5.018 5.580 -10.464 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -4.630 8.853 -9.175 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -5.017 9.626 -10.716 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -5.527 6.578 -12.420 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -5.523 8.340 -12.547 1.00 0.00 H new ATOM 1809 N ILE B 45 -6.505 5.480 -3.083 1.00 0.00 N ATOM 1810 CA ILE B 45 -6.156 5.463 -1.666 1.00 0.00 C ATOM 1811 C ILE B 45 -6.110 4.027 -1.152 1.00 0.00 C ATOM 1812 O ILE B 45 -5.182 3.638 -0.441 1.00 0.00 O ATOM 1813 CB ILE B 45 -7.151 6.287 -0.820 1.00 0.00 C ATOM 1814 CG1 ILE B 45 -7.106 7.759 -1.237 1.00 0.00 C ATOM 1815 CG2 ILE B 45 -6.846 6.144 0.668 1.00 0.00 C ATOM 1816 CD1 ILE B 45 -8.082 8.633 -0.479 1.00 0.00 C ATOM 0 H ILE B 45 -7.373 5.970 -3.301 1.00 0.00 H new ATOM 0 HA ILE B 45 -5.171 5.920 -1.566 1.00 0.00 H new ATOM 0 HB ILE B 45 -8.155 5.903 -0.998 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -6.096 8.140 -1.085 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -7.318 7.833 -2.304 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -7.560 6.733 1.244 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -6.924 5.096 0.956 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -5.836 6.501 0.868 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -7.995 9.662 -0.827 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -9.098 8.277 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -7.857 8.590 0.587 1.00 0.00 H new ATOM 1828 N ALA B 46 -7.104 3.237 -1.541 1.00 0.00 N ATOM 1829 CA ALA B 46 -7.170 1.839 -1.144 1.00 0.00 C ATOM 1830 C ALA B 46 -6.029 1.046 -1.773 1.00 0.00 C ATOM 1831 O ALA B 46 -5.454 0.161 -1.142 1.00 0.00 O ATOM 1832 CB ALA B 46 -8.513 1.241 -1.532 1.00 0.00 C ATOM 0 H ALA B 46 -7.876 3.544 -2.132 1.00 0.00 H new ATOM 0 HA ALA B 46 -7.066 1.784 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -8.547 0.195 -1.228 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -9.313 1.789 -1.034 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -8.643 1.310 -2.612 1.00 0.00 H new ATOM 1838 N GLU B 47 -5.695 1.383 -3.014 1.00 0.00 N ATOM 1839 CA GLU B 47 -4.613 0.716 -3.727 1.00 0.00 C ATOM 1840 C GLU B 47 -3.264 1.063 -3.101 1.00 0.00 C ATOM 1841 O GLU B 47 -2.451 0.181 -2.818 1.00 0.00 O ATOM 1842 CB GLU B 47 -4.620 1.121 -5.202 1.00 0.00 C ATOM 1843 CG GLU B 47 -5.923 0.803 -5.916 1.00 0.00 C ATOM 1844 CD GLU B 47 -5.918 1.266 -7.357 1.00 0.00 C ATOM 1845 OE1 GLU B 47 -5.499 0.485 -8.238 1.00 0.00 O ATOM 1846 OE2 GLU B 47 -6.328 2.413 -7.617 1.00 0.00 O ATOM 0 H GLU B 47 -6.160 2.117 -3.548 1.00 0.00 H new ATOM 0 HA GLU B 47 -4.768 -0.360 -3.653 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -4.427 2.191 -5.277 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -3.802 0.613 -5.713 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -6.099 -0.272 -5.883 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -6.749 1.278 -5.387 1.00 0.00 H new ATOM 1853 N ALA B 48 -3.048 2.355 -2.874 1.00 0.00 N ATOM 1854 CA ALA B 48 -1.809 2.844 -2.283 1.00 0.00 C ATOM 1855 C ALA B 48 -1.587 2.235 -0.905 1.00 0.00 C ATOM 1856 O ALA B 48 -0.466 1.869 -0.554 1.00 0.00 O ATOM 1857 CB ALA B 48 -1.828 4.364 -2.198 1.00 0.00 C ATOM 0 H ALA B 48 -3.723 3.088 -3.093 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.981 2.540 -2.924 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.896 4.715 -1.755 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.934 4.783 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -2.667 4.683 -1.580 1.00 0.00 H new ATOM 1863 N GLU B 49 -2.664 2.112 -0.139 1.00 0.00 N ATOM 1864 CA GLU B 49 -2.598 1.513 1.188 1.00 0.00 C ATOM 1865 C GLU B 49 -2.118 0.066 1.102 1.00 0.00 C ATOM 1866 O GLU B 49 -1.338 -0.392 1.939 1.00 0.00 O ATOM 1867 CB GLU B 49 -3.969 1.570 1.862 1.00 0.00 C ATOM 1868 CG GLU B 49 -3.961 1.082 3.299 1.00 0.00 C ATOM 1869 CD GLU B 49 -5.346 1.019 3.900 1.00 0.00 C ATOM 1870 OE1 GLU B 49 -5.836 2.056 4.390 1.00 0.00 O ATOM 1871 OE2 GLU B 49 -5.949 -0.074 3.895 1.00 0.00 O ATOM 0 H GLU B 49 -3.596 2.420 -0.415 1.00 0.00 H new ATOM 0 HA GLU B 49 -1.885 2.080 1.786 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -4.334 2.597 1.838 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -4.673 0.968 1.287 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -3.506 0.092 3.340 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -3.338 1.744 3.900 1.00 0.00 H new ATOM 1878 N LYS B 50 -2.575 -0.644 0.075 1.00 0.00 N ATOM 1879 CA LYS B 50 -2.193 -2.037 -0.127 1.00 0.00 C ATOM 1880 C LYS B 50 -0.781 -2.134 -0.694 1.00 0.00 C ATOM 1881 O LYS B 50 -0.173 -3.204 -0.695 1.00 0.00 O ATOM 1882 CB LYS B 50 -3.173 -2.739 -1.066 1.00 0.00 C ATOM 1883 CG LYS B 50 -4.607 -2.743 -0.568 1.00 0.00 C ATOM 1884 CD LYS B 50 -5.497 -3.598 -1.452 1.00 0.00 C ATOM 1885 CE LYS B 50 -6.967 -3.428 -1.099 1.00 0.00 C ATOM 1886 NZ LYS B 50 -7.237 -3.676 0.341 1.00 0.00 N ATOM 0 H LYS B 50 -3.212 -0.276 -0.632 1.00 0.00 H new ATOM 0 HA LYS B 50 -2.219 -2.532 0.844 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -3.139 -2.252 -2.041 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -2.847 -3.769 -1.212 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -4.638 -3.119 0.455 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -4.988 -1.722 -0.544 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.340 -3.329 -2.496 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -5.216 -4.646 -1.347 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -7.285 -2.418 -1.357 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -7.564 -4.113 -1.701 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -8.264 -3.699 0.503 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -6.822 -4.588 0.620 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -6.814 -2.915 0.910 1.00 0.00 H new ATOM 1900 N ALA B 51 -0.272 -1.013 -1.190 1.00 0.00 N ATOM 1901 CA ALA B 51 1.080 -0.955 -1.723 1.00 0.00 C ATOM 1902 C ALA B 51 2.064 -0.487 -0.656 1.00 0.00 C ATOM 1903 O ALA B 51 3.271 -0.445 -0.887 1.00 0.00 O ATOM 1904 CB ALA B 51 1.132 -0.037 -2.935 1.00 0.00 C ATOM 0 H ALA B 51 -0.779 -0.129 -1.233 1.00 0.00 H new ATOM 0 HA ALA B 51 1.369 -1.959 -2.034 1.00 0.00 H new ATOM 0 HB1 ALA B 51 2.150 -0.004 -3.323 1.00 0.00 H new ATOM 0 HB2 ALA B 51 0.462 -0.415 -3.707 1.00 0.00 H new ATOM 0 HB3 ALA B 51 0.821 0.967 -2.645 1.00 0.00 H new ATOM 1910 N GLY B 52 1.538 -0.129 0.512 1.00 0.00 N ATOM 1911 CA GLY B 52 2.384 0.298 1.612 1.00 0.00 C ATOM 1912 C GLY B 52 2.616 1.797 1.624 1.00 0.00 C ATOM 1913 O GLY B 52 3.451 2.297 2.376 1.00 0.00 O ATOM 0 H GLY B 52 0.539 -0.127 0.716 1.00 0.00 H new ATOM 0 HA2 GLY B 52 1.927 -0.002 2.555 1.00 0.00 H new ATOM 0 HA3 GLY B 52 3.344 -0.214 1.546 1.00 0.00 H new ATOM 1917 N VAL B 53 1.872 2.514 0.799 1.00 0.00 N ATOM 1918 CA VAL B 53 2.007 3.960 0.712 1.00 0.00 C ATOM 1919 C VAL B 53 1.113 4.628 1.749 1.00 0.00 C ATOM 1920 O VAL B 53 -0.112 4.556 1.666 1.00 0.00 O ATOM 1921 CB VAL B 53 1.637 4.475 -0.694 1.00 0.00 C ATOM 1922 CG1 VAL B 53 1.921 5.964 -0.819 1.00 0.00 C ATOM 1923 CG2 VAL B 53 2.385 3.693 -1.762 1.00 0.00 C ATOM 0 H VAL B 53 1.166 2.118 0.178 1.00 0.00 H new ATOM 0 HA VAL B 53 3.050 4.211 0.906 1.00 0.00 H new ATOM 0 HB VAL B 53 0.568 4.323 -0.842 1.00 0.00 H new ATOM 0 HG11 VAL B 53 1.652 6.303 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL B 53 1.334 6.510 -0.081 1.00 0.00 H new ATOM 0 HG13 VAL B 53 2.981 6.148 -0.647 1.00 0.00 H new ATOM 0 HG21 VAL B 53 2.112 4.070 -2.748 1.00 0.00 H new ATOM 0 HG22 VAL B 53 3.459 3.810 -1.614 1.00 0.00 H new ATOM 0 HG23 VAL B 53 2.122 2.638 -1.691 1.00 0.00 H new ATOM 1933 N LYS B 54 1.729 5.267 2.734 1.00 0.00 N ATOM 1934 CA LYS B 54 0.977 5.866 3.827 1.00 0.00 C ATOM 1935 C LYS B 54 1.005 7.389 3.757 1.00 0.00 C ATOM 1936 O LYS B 54 0.367 8.069 4.564 1.00 0.00 O ATOM 1937 CB LYS B 54 1.520 5.377 5.172 1.00 0.00 C ATOM 1938 CG LYS B 54 1.365 3.875 5.369 1.00 0.00 C ATOM 1939 CD LYS B 54 1.918 3.417 6.709 1.00 0.00 C ATOM 1940 CE LYS B 54 1.731 1.918 6.898 1.00 0.00 C ATOM 1941 NZ LYS B 54 2.286 1.445 8.194 1.00 0.00 N ATOM 0 H LYS B 54 2.740 5.383 2.799 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.063 5.553 3.731 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.575 5.640 5.248 1.00 0.00 H new ATOM 0 HB3 LYS B 54 1.002 5.898 5.977 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.311 3.607 5.301 1.00 0.00 H new ATOM 0 HG3 LYS B 54 1.880 3.349 4.565 1.00 0.00 H new ATOM 0 HD2 LYS B 54 2.978 3.665 6.772 1.00 0.00 H new ATOM 0 HD3 LYS B 54 1.417 3.953 7.515 1.00 0.00 H new ATOM 0 HE2 LYS B 54 0.669 1.676 6.849 1.00 0.00 H new ATOM 0 HE3 LYS B 54 2.217 1.386 6.080 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 2.137 0.419 8.282 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 3.305 1.652 8.232 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 1.805 1.933 8.976 1.00 0.00 H new ATOM 1955 N SER B 55 1.758 7.932 2.813 1.00 0.00 N ATOM 1956 CA SER B 55 1.774 9.371 2.598 1.00 0.00 C ATOM 1957 C SER B 55 2.057 9.706 1.133 1.00 0.00 C ATOM 1958 O SER B 55 2.663 8.912 0.411 1.00 0.00 O ATOM 1959 CB SER B 55 2.821 10.025 3.508 1.00 0.00 C ATOM 1960 OG SER B 55 2.555 9.746 4.873 1.00 0.00 O ATOM 0 H SER B 55 2.363 7.401 2.186 1.00 0.00 H new ATOM 0 HA SER B 55 0.789 9.766 2.847 1.00 0.00 H new ATOM 0 HB2 SER B 55 3.814 9.661 3.246 1.00 0.00 H new ATOM 0 HB3 SER B 55 2.824 11.103 3.348 1.00 0.00 H new ATOM 0 HG SER B 55 1.703 9.267 4.949 1.00 0.00 H new ATOM 1966 N VAL B 56 1.596 10.875 0.698 1.00 0.00 N ATOM 1967 CA VAL B 56 1.875 11.363 -0.643 1.00 0.00 C ATOM 1968 C VAL B 56 3.213 12.137 -0.603 1.00 0.00 C ATOM 1969 O VAL B 56 3.871 12.104 0.437 1.00 0.00 O ATOM 1970 CB VAL B 56 0.709 12.218 -1.202 1.00 0.00 C ATOM 1971 CG1 VAL B 56 0.509 11.940 -2.686 1.00 0.00 C ATOM 1972 CG2 VAL B 56 -0.583 11.954 -0.452 1.00 0.00 C ATOM 0 H VAL B 56 1.024 11.504 1.262 1.00 0.00 H new ATOM 0 HA VAL B 56 1.967 10.523 -1.332 1.00 0.00 H new ATOM 0 HB VAL B 56 0.975 13.266 -1.064 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -0.313 12.548 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL B 56 1.421 12.187 -3.229 1.00 0.00 H new ATOM 0 HG13 VAL B 56 0.276 10.885 -2.830 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -1.379 12.570 -0.870 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -0.851 10.902 -0.547 1.00 0.00 H new ATOM 0 HG23 VAL B 56 -0.449 12.200 0.601 1.00 0.00 H new ATOM 1982 N PRO B 57 3.556 12.988 -1.610 1.00 0.00 N ATOM 1983 CA PRO B 57 4.911 13.135 -2.117 1.00 0.00 C ATOM 1984 C PRO B 57 5.923 12.163 -1.519 1.00 0.00 C ATOM 1985 O PRO B 57 6.595 12.449 -0.526 1.00 0.00 O ATOM 1986 CB PRO B 57 5.168 14.593 -1.785 1.00 0.00 C ATOM 1987 CG PRO B 57 3.821 15.243 -2.009 1.00 0.00 C ATOM 1988 CD PRO B 57 2.797 14.119 -2.116 1.00 0.00 C ATOM 0 HA PRO B 57 5.020 12.890 -3.173 1.00 0.00 H new ATOM 0 HB2 PRO B 57 5.509 14.718 -0.757 1.00 0.00 H new ATOM 0 HB3 PRO B 57 5.935 15.023 -2.429 1.00 0.00 H new ATOM 0 HG2 PRO B 57 3.574 15.913 -1.185 1.00 0.00 H new ATOM 0 HG3 PRO B 57 3.829 15.845 -2.918 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.907 14.316 -1.518 1.00 0.00 H new ATOM 0 HD3 PRO B 57 2.464 13.964 -3.142 1.00 0.00 H new ATOM 1996 N ALA B 58 6.009 11.001 -2.158 1.00 0.00 N ATOM 1997 CA ALA B 58 6.863 9.919 -1.705 1.00 0.00 C ATOM 1998 C ALA B 58 7.369 9.103 -2.886 1.00 0.00 C ATOM 1999 O ALA B 58 6.722 9.049 -3.939 1.00 0.00 O ATOM 2000 CB ALA B 58 6.100 9.022 -0.745 1.00 0.00 C ATOM 0 H ALA B 58 5.485 10.787 -3.007 1.00 0.00 H new ATOM 0 HA ALA B 58 7.721 10.350 -1.189 1.00 0.00 H new ATOM 0 HB1 ALA B 58 6.749 8.213 -0.410 1.00 0.00 H new ATOM 0 HB2 ALA B 58 5.773 9.605 0.116 1.00 0.00 H new ATOM 0 HB3 ALA B 58 5.230 8.604 -1.251 1.00 0.00 H new ATOM 2006 N LEU B 59 8.518 8.468 -2.704 1.00 0.00 N ATOM 2007 CA LEU B 59 9.109 7.627 -3.732 1.00 0.00 C ATOM 2008 C LEU B 59 8.961 6.157 -3.353 1.00 0.00 C ATOM 2009 O LEU B 59 9.577 5.684 -2.401 1.00 0.00 O ATOM 2010 CB LEU B 59 10.587 7.982 -3.918 1.00 0.00 C ATOM 2011 CG LEU B 59 11.317 7.198 -5.012 1.00 0.00 C ATOM 2012 CD1 LEU B 59 10.722 7.497 -6.381 1.00 0.00 C ATOM 2013 CD2 LEU B 59 12.801 7.522 -4.989 1.00 0.00 C ATOM 0 H LEU B 59 9.064 8.521 -1.844 1.00 0.00 H new ATOM 0 HA LEU B 59 8.588 7.800 -4.674 1.00 0.00 H new ATOM 0 HB2 LEU B 59 10.662 9.045 -4.145 1.00 0.00 H new ATOM 0 HB3 LEU B 59 11.104 7.820 -2.972 1.00 0.00 H new ATOM 0 HG LEU B 59 11.191 6.133 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU B 59 11.257 6.929 -7.142 1.00 0.00 H new ATOM 0 HD12 LEU B 59 9.669 7.214 -6.390 1.00 0.00 H new ATOM 0 HD13 LEU B 59 10.813 8.562 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU B 59 13.309 6.958 -5.772 1.00 0.00 H new ATOM 0 HD22 LEU B 59 12.943 8.589 -5.160 1.00 0.00 H new ATOM 0 HD23 LEU B 59 13.217 7.252 -4.019 1.00 0.00 H new ATOM 2025 N VAL B 60 8.137 5.446 -4.096 1.00 0.00 N ATOM 2026 CA VAL B 60 7.855 4.049 -3.812 1.00 0.00 C ATOM 2027 C VAL B 60 8.647 3.146 -4.753 1.00 0.00 C ATOM 2028 O VAL B 60 8.238 2.899 -5.887 1.00 0.00 O ATOM 2029 CB VAL B 60 6.349 3.747 -3.953 1.00 0.00 C ATOM 2030 CG1 VAL B 60 6.032 2.333 -3.492 1.00 0.00 C ATOM 2031 CG2 VAL B 60 5.526 4.761 -3.176 1.00 0.00 C ATOM 0 H VAL B 60 7.645 5.815 -4.910 1.00 0.00 H new ATOM 0 HA VAL B 60 8.155 3.851 -2.783 1.00 0.00 H new ATOM 0 HB VAL B 60 6.085 3.825 -5.008 1.00 0.00 H new ATOM 0 HG11 VAL B 60 4.964 2.145 -3.602 1.00 0.00 H new ATOM 0 HG12 VAL B 60 6.590 1.619 -4.098 1.00 0.00 H new ATOM 0 HG13 VAL B 60 6.315 2.220 -2.445 1.00 0.00 H new ATOM 0 HG21 VAL B 60 4.466 4.532 -3.287 1.00 0.00 H new ATOM 0 HG22 VAL B 60 5.797 4.718 -2.121 1.00 0.00 H new ATOM 0 HG23 VAL B 60 5.723 5.761 -3.561 1.00 0.00 H new ATOM 2041 N ILE B 61 9.789 2.674 -4.282 1.00 0.00 N ATOM 2042 CA ILE B 61 10.660 1.837 -5.097 1.00 0.00 C ATOM 2043 C ILE B 61 10.313 0.366 -4.904 1.00 0.00 C ATOM 2044 O ILE B 61 10.515 -0.187 -3.823 1.00 0.00 O ATOM 2045 CB ILE B 61 12.148 2.054 -4.740 1.00 0.00 C ATOM 2046 CG1 ILE B 61 12.517 3.535 -4.873 1.00 0.00 C ATOM 2047 CG2 ILE B 61 13.041 1.200 -5.632 1.00 0.00 C ATOM 2048 CD1 ILE B 61 13.938 3.850 -4.456 1.00 0.00 C ATOM 0 H ILE B 61 10.136 2.855 -3.340 1.00 0.00 H new ATOM 0 HA ILE B 61 10.504 2.121 -6.138 1.00 0.00 H new ATOM 0 HB ILE B 61 12.304 1.749 -3.705 1.00 0.00 H new ATOM 0 HG12 ILE B 61 12.375 3.844 -5.909 1.00 0.00 H new ATOM 0 HG13 ILE B 61 11.831 4.127 -4.267 1.00 0.00 H new ATOM 0 HG21 ILE B 61 14.085 1.365 -5.367 1.00 0.00 H new ATOM 0 HG22 ILE B 61 12.794 0.147 -5.493 1.00 0.00 H new ATOM 0 HG23 ILE B 61 12.884 1.475 -6.675 1.00 0.00 H new ATOM 0 HD11 ILE B 61 14.125 4.917 -4.578 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.080 3.574 -3.411 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.633 3.286 -5.078 1.00 0.00 H new ATOM 2060 N ASP B 62 9.763 -0.246 -5.953 1.00 0.00 N ATOM 2061 CA ASP B 62 9.411 -1.670 -5.938 1.00 0.00 C ATOM 2062 C ASP B 62 8.475 -2.017 -4.785 1.00 0.00 C ATOM 2063 O ASP B 62 8.509 -3.129 -4.260 1.00 0.00 O ATOM 2064 CB ASP B 62 10.667 -2.545 -5.867 1.00 0.00 C ATOM 2065 CG ASP B 62 11.308 -2.756 -7.222 1.00 0.00 C ATOM 2066 OD1 ASP B 62 10.825 -3.632 -7.976 1.00 0.00 O ATOM 2067 OD2 ASP B 62 12.299 -2.064 -7.534 1.00 0.00 O ATOM 0 H ASP B 62 9.549 0.225 -6.832 1.00 0.00 H new ATOM 0 HA ASP B 62 8.886 -1.873 -6.871 1.00 0.00 H new ATOM 0 HB2 ASP B 62 11.390 -2.082 -5.195 1.00 0.00 H new ATOM 0 HB3 ASP B 62 10.407 -3.513 -5.438 1.00 0.00 H new ATOM 2072 N GLY B 63 7.632 -1.070 -4.403 1.00 0.00 N ATOM 2073 CA GLY B 63 6.677 -1.318 -3.338 1.00 0.00 C ATOM 2074 C GLY B 63 7.115 -0.747 -2.004 1.00 0.00 C ATOM 2075 O GLY B 63 6.319 -0.647 -1.073 1.00 0.00 O ATOM 0 H GLY B 63 7.590 -0.135 -4.809 1.00 0.00 H new ATOM 0 HA2 GLY B 63 5.715 -0.887 -3.613 1.00 0.00 H new ATOM 0 HA3 GLY B 63 6.527 -2.393 -3.235 1.00 0.00 H new ATOM 2079 N ALA B 64 8.382 -0.374 -1.904 1.00 0.00 N ATOM 2080 CA ALA B 64 8.894 0.223 -0.681 1.00 0.00 C ATOM 2081 C ALA B 64 8.696 1.732 -0.712 1.00 0.00 C ATOM 2082 O ALA B 64 9.317 2.434 -1.510 1.00 0.00 O ATOM 2083 CB ALA B 64 10.365 -0.125 -0.494 1.00 0.00 C ATOM 0 H ALA B 64 9.070 -0.473 -2.650 1.00 0.00 H new ATOM 0 HA ALA B 64 8.339 -0.181 0.166 1.00 0.00 H new ATOM 0 HB1 ALA B 64 10.732 0.330 0.426 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.478 -1.207 -0.434 1.00 0.00 H new ATOM 0 HB3 ALA B 64 10.939 0.253 -1.340 1.00 0.00 H new ATOM 2089 N ALA B 65 7.817 2.223 0.149 1.00 0.00 N ATOM 2090 CA ALA B 65 7.474 3.636 0.168 1.00 0.00 C ATOM 2091 C ALA B 65 8.488 4.448 0.963 1.00 0.00 C ATOM 2092 O ALA B 65 8.590 4.321 2.185 1.00 0.00 O ATOM 2093 CB ALA B 65 6.076 3.832 0.732 1.00 0.00 C ATOM 0 H ALA B 65 7.327 1.661 0.845 1.00 0.00 H new ATOM 0 HA ALA B 65 7.495 3.998 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA B 65 5.833 4.894 0.740 1.00 0.00 H new ATOM 0 HB2 ALA B 65 5.355 3.299 0.111 1.00 0.00 H new ATOM 0 HB3 ALA B 65 6.036 3.443 1.749 1.00 0.00 H new ATOM 2099 N PHE B 66 9.251 5.265 0.261 1.00 0.00 N ATOM 2100 CA PHE B 66 10.174 6.186 0.899 1.00 0.00 C ATOM 2101 C PHE B 66 9.639 7.604 0.777 1.00 0.00 C ATOM 2102 O PHE B 66 9.788 8.256 -0.258 1.00 0.00 O ATOM 2103 CB PHE B 66 11.566 6.076 0.277 1.00 0.00 C ATOM 2104 CG PHE B 66 12.175 4.713 0.439 1.00 0.00 C ATOM 2105 CD1 PHE B 66 12.739 4.332 1.646 1.00 0.00 C ATOM 2106 CD2 PHE B 66 12.175 3.812 -0.611 1.00 0.00 C ATOM 2107 CE1 PHE B 66 13.290 3.074 1.802 1.00 0.00 C ATOM 2108 CE2 PHE B 66 12.727 2.555 -0.462 1.00 0.00 C ATOM 2109 CZ PHE B 66 13.285 2.185 0.748 1.00 0.00 C ATOM 0 H PHE B 66 9.249 5.310 -0.758 1.00 0.00 H new ATOM 0 HA PHE B 66 10.262 5.928 1.954 1.00 0.00 H new ATOM 0 HB2 PHE B 66 11.504 6.316 -0.784 1.00 0.00 H new ATOM 0 HB3 PHE B 66 12.222 6.817 0.734 1.00 0.00 H new ATOM 0 HD1 PHE B 66 12.748 5.026 2.474 1.00 0.00 H new ATOM 0 HD2 PHE B 66 11.739 4.095 -1.558 1.00 0.00 H new ATOM 0 HE1 PHE B 66 13.724 2.788 2.749 1.00 0.00 H new ATOM 0 HE2 PHE B 66 12.723 1.861 -1.290 1.00 0.00 H new ATOM 0 HZ PHE B 66 13.716 1.202 0.867 1.00 0.00 H new ATOM 2119 N HIS B 67 8.984 8.057 1.831 1.00 0.00 N ATOM 2120 CA HIS B 67 8.335 9.359 1.834 1.00 0.00 C ATOM 2121 C HIS B 67 9.377 10.471 1.883 1.00 0.00 C ATOM 2122 O HIS B 67 10.282 10.447 2.718 1.00 0.00 O ATOM 2123 CB HIS B 67 7.369 9.460 3.023 1.00 0.00 C ATOM 2124 CG HIS B 67 6.357 8.347 3.067 1.00 0.00 C ATOM 2125 ND1 HIS B 67 6.455 7.254 3.899 1.00 0.00 N ATOM 2126 CD2 HIS B 67 5.211 8.175 2.363 1.00 0.00 C ATOM 2127 CE1 HIS B 67 5.393 6.468 3.679 1.00 0.00 C ATOM 2128 NE2 HIS B 67 4.603 6.982 2.754 1.00 0.00 N ATOM 0 H HIS B 67 8.886 7.538 2.704 1.00 0.00 H new ATOM 0 HA HIS B 67 7.763 9.473 0.913 1.00 0.00 H new ATOM 0 HB2 HIS B 67 7.943 9.456 3.949 1.00 0.00 H new ATOM 0 HB3 HIS B 67 6.846 10.415 2.977 1.00 0.00 H new ATOM 0 HD1 HIS B 67 7.205 7.074 4.566 1.00 0.00 H new ATOM 0 HD2 HIS B 67 4.829 8.855 1.616 1.00 0.00 H new ATOM 0 HE1 HIS B 67 5.207 5.536 4.191 1.00 0.00 H new ATOM 2136 N ILE B 68 9.250 11.434 0.979 1.00 0.00 N ATOM 2137 CA ILE B 68 10.244 12.489 0.841 1.00 0.00 C ATOM 2138 C ILE B 68 9.865 13.705 1.678 1.00 0.00 C ATOM 2139 O ILE B 68 8.894 14.401 1.369 1.00 0.00 O ATOM 2140 CB ILE B 68 10.416 12.912 -0.635 1.00 0.00 C ATOM 2141 CG1 ILE B 68 10.806 11.707 -1.498 1.00 0.00 C ATOM 2142 CG2 ILE B 68 11.457 14.017 -0.761 1.00 0.00 C ATOM 2143 CD1 ILE B 68 12.107 11.047 -1.084 1.00 0.00 C ATOM 0 H ILE B 68 8.467 11.506 0.330 1.00 0.00 H new ATOM 0 HA ILE B 68 11.192 12.088 1.201 1.00 0.00 H new ATOM 0 HB ILE B 68 9.462 13.298 -0.992 1.00 0.00 H new ATOM 0 HG12 ILE B 68 10.006 10.968 -1.455 1.00 0.00 H new ATOM 0 HG13 ILE B 68 10.888 12.028 -2.536 1.00 0.00 H new ATOM 0 HG21 ILE B 68 11.562 14.300 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE B 68 11.140 14.884 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE B 68 12.415 13.659 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE B 68 12.313 10.203 -1.743 1.00 0.00 H new ATOM 0 HD12 ILE B 68 12.920 11.769 -1.155 1.00 0.00 H new ATOM 0 HD13 ILE B 68 12.025 10.693 -0.056 1.00 0.00 H new ATOM 2155 N ASN B 69 10.645 13.946 2.732 1.00 0.00 N ATOM 2156 CA ASN B 69 10.408 15.051 3.667 1.00 0.00 C ATOM 2157 C ASN B 69 9.091 14.857 4.407 1.00 0.00 C ATOM 2158 O ASN B 69 9.055 14.272 5.490 1.00 0.00 O ATOM 2159 CB ASN B 69 10.413 16.411 2.947 1.00 0.00 C ATOM 2160 CG ASN B 69 11.789 16.823 2.463 1.00 0.00 C ATOM 2161 OD1 ASN B 69 12.797 16.481 3.071 1.00 0.00 O ATOM 2162 ND2 ASN B 69 11.841 17.560 1.365 1.00 0.00 N ATOM 0 H ASN B 69 11.461 13.380 2.964 1.00 0.00 H new ATOM 0 HA ASN B 69 11.224 15.047 4.389 1.00 0.00 H new ATOM 0 HB2 ASN B 69 9.733 16.367 2.096 1.00 0.00 H new ATOM 0 HB3 ASN B 69 10.029 17.175 3.623 1.00 0.00 H new ATOM 0 HD21 ASN B 69 12.742 17.864 0.997 1.00 0.00 H new ATOM 0 HD22 ASN B 69 10.980 17.824 0.887 1.00 0.00 H new ATOM 2169 N PHE B 70 8.022 15.339 3.795 1.00 0.00 N ATOM 2170 CA PHE B 70 6.675 15.213 4.324 1.00 0.00 C ATOM 2171 C PHE B 70 5.706 15.842 3.334 1.00 0.00 C ATOM 2172 O PHE B 70 5.426 17.039 3.401 1.00 0.00 O ATOM 2173 CB PHE B 70 6.544 15.883 5.699 1.00 0.00 C ATOM 2174 CG PHE B 70 5.213 15.647 6.363 1.00 0.00 C ATOM 2175 CD1 PHE B 70 4.909 14.411 6.912 1.00 0.00 C ATOM 2176 CD2 PHE B 70 4.271 16.661 6.442 1.00 0.00 C ATOM 2177 CE1 PHE B 70 3.690 14.189 7.523 1.00 0.00 C ATOM 2178 CE2 PHE B 70 3.050 16.444 7.053 1.00 0.00 C ATOM 2179 CZ PHE B 70 2.760 15.207 7.594 1.00 0.00 C ATOM 0 H PHE B 70 8.067 15.835 2.905 1.00 0.00 H new ATOM 0 HA PHE B 70 6.444 14.156 4.458 1.00 0.00 H new ATOM 0 HB2 PHE B 70 7.336 15.513 6.350 1.00 0.00 H new ATOM 0 HB3 PHE B 70 6.699 16.956 5.587 1.00 0.00 H new ATOM 0 HD1 PHE B 70 5.634 13.612 6.861 1.00 0.00 H new ATOM 0 HD2 PHE B 70 4.493 17.631 6.022 1.00 0.00 H new ATOM 0 HE1 PHE B 70 3.465 13.220 7.945 1.00 0.00 H new ATOM 0 HE2 PHE B 70 2.324 17.241 7.107 1.00 0.00 H new ATOM 0 HZ PHE B 70 1.807 15.036 8.072 1.00 0.00 H new ATOM 2189 N GLY B 71 5.247 15.044 2.382 1.00 0.00 N ATOM 2190 CA GLY B 71 4.348 15.550 1.373 1.00 0.00 C ATOM 2191 C GLY B 71 2.942 15.712 1.893 1.00 0.00 C ATOM 2192 O GLY B 71 2.545 16.801 2.304 1.00 0.00 O ATOM 0 H GLY B 71 5.482 14.056 2.292 1.00 0.00 H new ATOM 0 HA2 GLY B 71 4.713 16.512 1.012 1.00 0.00 H new ATOM 0 HA3 GLY B 71 4.342 14.871 0.520 1.00 0.00 H new ATOM 2196 N ALA B 72 2.178 14.633 1.865 1.00 0.00 N ATOM 2197 CA ALA B 72 0.825 14.669 2.408 1.00 0.00 C ATOM 2198 C ALA B 72 0.534 13.383 3.160 1.00 0.00 C ATOM 2199 O ALA B 72 1.128 12.361 2.869 1.00 0.00 O ATOM 2200 CB ALA B 72 -0.196 14.894 1.302 1.00 0.00 C ATOM 0 H ALA B 72 2.463 13.733 1.479 1.00 0.00 H new ATOM 0 HA ALA B 72 0.750 15.504 3.104 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -1.198 14.917 1.731 1.00 0.00 H new ATOM 0 HB2 ALA B 72 0.008 15.843 0.806 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -0.131 14.083 0.576 1.00 0.00 H new ATOM 2206 N GLY B 73 -0.372 13.428 4.118 1.00 0.00 N ATOM 2207 CA GLY B 73 -0.688 12.231 4.866 1.00 0.00 C ATOM 2208 C GLY B 73 -1.895 11.521 4.298 1.00 0.00 C ATOM 2209 O GLY B 73 -2.840 12.167 3.847 1.00 0.00 O ATOM 0 H GLY B 73 -0.891 14.262 4.391 1.00 0.00 H new ATOM 0 HA2 GLY B 73 0.169 11.558 4.855 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -0.875 12.491 5.908 1.00 0.00 H new ATOM 2213 N ILE B 74 -1.879 10.192 4.314 1.00 0.00 N ATOM 2214 CA ILE B 74 -3.023 9.423 3.842 1.00 0.00 C ATOM 2215 C ILE B 74 -4.213 9.665 4.766 1.00 0.00 C ATOM 2216 O ILE B 74 -5.370 9.537 4.368 1.00 0.00 O ATOM 2217 CB ILE B 74 -2.713 7.906 3.762 1.00 0.00 C ATOM 2218 CG1 ILE B 74 -3.801 7.177 2.966 1.00 0.00 C ATOM 2219 CG2 ILE B 74 -2.579 7.302 5.156 1.00 0.00 C ATOM 2220 CD1 ILE B 74 -3.510 5.709 2.740 1.00 0.00 C ATOM 0 H ILE B 74 -1.095 9.630 4.645 1.00 0.00 H new ATOM 0 HA ILE B 74 -3.259 9.759 2.832 1.00 0.00 H new ATOM 0 HB ILE B 74 -1.761 7.782 3.245 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -4.750 7.273 3.493 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -3.922 7.667 2.000 1.00 0.00 H new ATOM 0 HG21 ILE B 74 -2.362 6.237 5.072 1.00 0.00 H new ATOM 0 HG22 ILE B 74 -1.768 7.797 5.690 1.00 0.00 H new ATOM 0 HG23 ILE B 74 -3.511 7.440 5.703 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -4.324 5.260 2.170 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -2.578 5.604 2.185 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -3.419 5.204 3.702 1.00 0.00 H new ATOM 2232 N ASP B 75 -3.905 10.054 6.000 1.00 0.00 N ATOM 2233 CA ASP B 75 -4.922 10.346 7.000 1.00 0.00 C ATOM 2234 C ASP B 75 -5.740 11.566 6.595 1.00 0.00 C ATOM 2235 O ASP B 75 -6.926 11.658 6.909 1.00 0.00 O ATOM 2236 CB ASP B 75 -4.270 10.578 8.363 1.00 0.00 C ATOM 2237 CG ASP B 75 -5.289 10.845 9.453 1.00 0.00 C ATOM 2238 OD1 ASP B 75 -6.027 9.907 9.825 1.00 0.00 O ATOM 2239 OD2 ASP B 75 -5.352 11.992 9.946 1.00 0.00 O ATOM 0 H ASP B 75 -2.948 10.175 6.332 1.00 0.00 H new ATOM 0 HA ASP B 75 -5.592 9.489 7.070 1.00 0.00 H new ATOM 0 HB2 ASP B 75 -3.675 9.705 8.631 1.00 0.00 H new ATOM 0 HB3 ASP B 75 -3.584 11.423 8.296 1.00 0.00 H new ATOM 2244 N ASP B 76 -5.111 12.486 5.866 1.00 0.00 N ATOM 2245 CA ASP B 76 -5.791 13.686 5.385 1.00 0.00 C ATOM 2246 C ASP B 76 -6.950 13.315 4.466 1.00 0.00 C ATOM 2247 O ASP B 76 -7.954 14.023 4.397 1.00 0.00 O ATOM 2248 CB ASP B 76 -4.823 14.605 4.624 1.00 0.00 C ATOM 2249 CG ASP B 76 -3.811 15.303 5.516 1.00 0.00 C ATOM 2250 OD1 ASP B 76 -4.202 16.228 6.259 1.00 0.00 O ATOM 2251 OD2 ASP B 76 -2.608 14.967 5.445 1.00 0.00 O ATOM 0 H ASP B 76 -4.130 12.423 5.595 1.00 0.00 H new ATOM 0 HA ASP B 76 -6.172 14.216 6.258 1.00 0.00 H new ATOM 0 HB2 ASP B 76 -4.290 14.017 3.877 1.00 0.00 H new ATOM 0 HB3 ASP B 76 -5.399 15.358 4.086 1.00 0.00 H new ATOM 2256 N LEU B 77 -6.807 12.193 3.772 1.00 0.00 N ATOM 2257 CA LEU B 77 -7.803 11.758 2.802 1.00 0.00 C ATOM 2258 C LEU B 77 -8.655 10.615 3.355 1.00 0.00 C ATOM 2259 O LEU B 77 -9.572 10.136 2.689 1.00 0.00 O ATOM 2260 CB LEU B 77 -7.111 11.312 1.510 1.00 0.00 C ATOM 2261 CG LEU B 77 -6.262 12.380 0.816 1.00 0.00 C ATOM 2262 CD1 LEU B 77 -5.557 11.792 -0.398 1.00 0.00 C ATOM 2263 CD2 LEU B 77 -7.121 13.569 0.408 1.00 0.00 C ATOM 0 H LEU B 77 -6.008 11.566 3.864 1.00 0.00 H new ATOM 0 HA LEU B 77 -8.462 12.601 2.592 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -6.474 10.457 1.736 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -7.873 10.967 0.811 1.00 0.00 H new ATOM 0 HG LEU B 77 -5.507 12.729 1.521 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -4.958 12.564 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -4.909 10.974 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -6.299 11.416 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -6.498 14.316 -0.083 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -7.899 13.237 -0.279 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -7.581 14.006 1.294 1.00 0.00 H new ATOM 2275 N LYS B 78 -8.357 10.187 4.577 1.00 0.00 N ATOM 2276 CA LYS B 78 -9.064 9.058 5.181 1.00 0.00 C ATOM 2277 C LYS B 78 -10.310 9.503 5.934 1.00 0.00 C ATOM 2278 O LYS B 78 -11.085 8.671 6.407 1.00 0.00 O ATOM 2279 CB LYS B 78 -8.147 8.278 6.121 1.00 0.00 C ATOM 2280 CG LYS B 78 -7.304 7.232 5.418 1.00 0.00 C ATOM 2281 CD LYS B 78 -6.439 6.466 6.404 1.00 0.00 C ATOM 2282 CE LYS B 78 -5.845 5.221 5.771 1.00 0.00 C ATOM 2283 NZ LYS B 78 -6.902 4.281 5.309 1.00 0.00 N ATOM 0 H LYS B 78 -7.635 10.600 5.168 1.00 0.00 H new ATOM 0 HA LYS B 78 -9.375 8.408 4.363 1.00 0.00 H new ATOM 0 HB2 LYS B 78 -7.488 8.978 6.635 1.00 0.00 H new ATOM 0 HB3 LYS B 78 -8.753 7.791 6.885 1.00 0.00 H new ATOM 0 HG2 LYS B 78 -7.953 6.538 4.884 1.00 0.00 H new ATOM 0 HG3 LYS B 78 -6.671 7.713 4.673 1.00 0.00 H new ATOM 0 HD2 LYS B 78 -5.637 7.111 6.764 1.00 0.00 H new ATOM 0 HD3 LYS B 78 -7.036 6.185 7.272 1.00 0.00 H new ATOM 0 HE2 LYS B 78 -5.217 5.506 4.927 1.00 0.00 H new ATOM 0 HE3 LYS B 78 -5.201 4.718 6.492 1.00 0.00 H new ATOM 0 HZ1 LYS B 78 -6.519 3.314 5.282 1.00 0.00 H new ATOM 0 HZ2 LYS B 78 -7.709 4.316 5.965 1.00 0.00 H new ATOM 0 HZ3 LYS B 78 -7.218 4.555 4.357 1.00 0.00 H new