USER MOD reduce.3.24.130724 H: found=0, std=0, add=1126, rem=0, adj=33 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= 1.61 K(o=2.4,f=-16!) USER MOD Set 1.2: B 69 ASN : amide:sc= 0.78! C(o=2.4!,f=-16!) USER MOD Set 2.1: A 69 ASN : amide:sc= 0.451 K(o=-1.5,f=-5.9!) USER MOD Set 2.2: B 67 HIS : no HE2:sc= -1.92! C(o=-1.5!,f=-4.6!) USER MOD Set 3.1: B 9 HIS : no HD1:sc= -0.155 K(o=1.4,f=-3.4!) USER MOD Set 3.2: B 37 HIS : no HD1:sc= 0.753 K(o=1.4,f=-3) USER MOD Set 3.3: B 40 THR OG1 : rot 81:sc= 0.825 USER MOD Set 4.1: A 31 TYR OH : rot -7:sc= 0.643 USER MOD Set 4.2: B 24 ASN : amide:sc= 0.584 K(o=1.2,f=-0.31) USER MOD Set 5.1: A 9 HIS : no HD1:sc= -1.26 K(o=0.064,f=-2.9!) USER MOD Set 5.2: A 37 HIS : no HD1:sc= 0.331 K(o=0.064,f=-4.6!) USER MOD Set 5.3: A 40 THR OG1 : rot 62:sc= 0.991 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 178:sc= 1.12 (180deg=1.03) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.899 USER MOD Single : A 15 CYS SG : rot -115:sc= -1.31 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 24 ASN : amide:sc= 0.556 K(o=0.56,f=0) USER MOD Single : A 29 SER OG : rot -80:sc= 1.14 USER MOD Single : A 30 LYS NZ :NH3+ -155:sc= 1.27 (180deg=1.14) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0489) USER MOD Single : A 50 LYS NZ :NH3+ -162:sc= -0.0244 (180deg=-0.311) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -161:sc= 0.632 USER MOD Single : A 78 LYS NZ :NH3+ 178:sc= 1.28 (180deg=1.23) USER MOD Single : B 3 SER OG : rot -162:sc= 1.25 USER MOD Single : B 4 LYS NZ :NH3+ 158:sc= 0.125 (180deg=-0.0203) USER MOD Single : B 8 TYR OH : rot 32:sc= 0.819 USER MOD Single : B 12 CYS SG : rot 180:sc= -0.0079 USER MOD Single : B 15 CYS SG : rot 169:sc= -7.42! USER MOD Single : B 17 SER OG : rot 180:sc= 0 USER MOD Single : B 20 GLN : amide:sc= 0.148 K(o=0.15,f=-0.89) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 30 LYS NZ :NH3+ 168:sc= 1.21 (180deg=1.01) USER MOD Single : B 31 TYR OH : rot 180:sc= 0 USER MOD Single : B 32 THR OG1 : rot 87:sc= 1.24 USER MOD Single : B 42 LYS NZ :NH3+ -144:sc= 0.674 (180deg=0.132) USER MOD Single : B 50 LYS NZ :NH3+ -167:sc= -0.0407 (180deg=-0.266) USER MOD Single : B 54 LYS NZ :NH3+ -159:sc= -1.55 (180deg=-2.07!) USER MOD Single : B 55 SER OG : rot 180:sc= 0 USER MOD Single : B 78 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0105) USER MOD ----------------------------------------------------------------- ATOM 19 N ALA A 2 30.199 15.212 -10.367 1.00 0.00 N ATOM 20 CA ALA A 2 29.192 14.572 -9.538 1.00 0.00 C ATOM 21 C ALA A 2 28.752 15.520 -8.433 1.00 0.00 C ATOM 22 O ALA A 2 29.586 16.109 -7.743 1.00 0.00 O ATOM 23 CB ALA A 2 29.728 13.274 -8.954 1.00 0.00 C ATOM 0 HA ALA A 2 28.327 14.331 -10.156 1.00 0.00 H new ATOM 0 HB1 ALA A 2 28.960 12.809 -8.336 1.00 0.00 H new ATOM 0 HB2 ALA A 2 30.002 12.597 -9.763 1.00 0.00 H new ATOM 0 HB3 ALA A 2 30.606 13.485 -8.344 1.00 0.00 H new ATOM 29 N SER A 3 27.448 15.682 -8.282 1.00 0.00 N ATOM 30 CA SER A 3 26.907 16.611 -7.305 1.00 0.00 C ATOM 31 C SER A 3 27.004 16.030 -5.895 1.00 0.00 C ATOM 32 O SER A 3 26.912 14.817 -5.702 1.00 0.00 O ATOM 33 CB SER A 3 25.459 16.943 -7.655 1.00 0.00 C ATOM 34 OG SER A 3 25.339 17.306 -9.023 1.00 0.00 O ATOM 0 H SER A 3 26.744 15.181 -8.824 1.00 0.00 H new ATOM 0 HA SER A 3 27.494 17.529 -7.329 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.824 16.082 -7.446 1.00 0.00 H new ATOM 0 HB3 SER A 3 25.107 17.760 -7.025 1.00 0.00 H new ATOM 0 HG SER A 3 24.403 17.513 -9.226 1.00 0.00 H new ATOM 40 N LYS A 4 27.198 16.905 -4.922 1.00 0.00 N ATOM 41 CA LYS A 4 27.409 16.497 -3.539 1.00 0.00 C ATOM 42 C LYS A 4 26.084 16.145 -2.861 1.00 0.00 C ATOM 43 O LYS A 4 25.216 17.002 -2.691 1.00 0.00 O ATOM 44 CB LYS A 4 28.109 17.634 -2.791 1.00 0.00 C ATOM 45 CG LYS A 4 28.740 17.232 -1.468 1.00 0.00 C ATOM 46 CD LYS A 4 29.520 18.393 -0.872 1.00 0.00 C ATOM 47 CE LYS A 4 30.329 17.980 0.347 1.00 0.00 C ATOM 48 NZ LYS A 4 29.470 17.529 1.471 1.00 0.00 N ATOM 0 H LYS A 4 27.214 17.915 -5.065 1.00 0.00 H new ATOM 0 HA LYS A 4 28.033 15.604 -3.520 1.00 0.00 H new ATOM 0 HB2 LYS A 4 28.883 18.051 -3.435 1.00 0.00 H new ATOM 0 HB3 LYS A 4 27.386 18.428 -2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 4 27.965 16.912 -0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 4 29.404 16.381 -1.619 1.00 0.00 H new ATOM 0 HD2 LYS A 4 30.190 18.804 -1.628 1.00 0.00 H new ATOM 0 HD3 LYS A 4 28.828 19.188 -0.594 1.00 0.00 H new ATOM 0 HE2 LYS A 4 31.012 17.177 0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 4 30.941 18.820 0.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 30.069 17.226 2.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 28.859 18.313 1.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 28.880 16.731 1.159 1.00 0.00 H new ATOM 62 N ALA A 5 25.927 14.881 -2.487 1.00 0.00 N ATOM 63 CA ALA A 5 24.709 14.421 -1.830 1.00 0.00 C ATOM 64 C ALA A 5 25.038 13.739 -0.509 1.00 0.00 C ATOM 65 O ALA A 5 25.608 12.650 -0.484 1.00 0.00 O ATOM 66 CB ALA A 5 23.939 13.477 -2.743 1.00 0.00 C ATOM 0 H ALA A 5 26.629 14.155 -2.628 1.00 0.00 H new ATOM 0 HA ALA A 5 24.081 15.287 -1.620 1.00 0.00 H new ATOM 0 HB1 ALA A 5 23.032 13.142 -2.239 1.00 0.00 H new ATOM 0 HB2 ALA A 5 23.672 13.998 -3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 5 24.561 12.614 -2.982 1.00 0.00 H new ATOM 72 N ILE A 6 24.673 14.378 0.590 1.00 0.00 N ATOM 73 CA ILE A 6 25.032 13.876 1.908 1.00 0.00 C ATOM 74 C ILE A 6 23.893 13.063 2.508 1.00 0.00 C ATOM 75 O ILE A 6 22.758 13.525 2.569 1.00 0.00 O ATOM 76 CB ILE A 6 25.372 15.020 2.882 1.00 0.00 C ATOM 77 CG1 ILE A 6 26.111 16.147 2.162 1.00 0.00 C ATOM 78 CG2 ILE A 6 26.219 14.484 4.026 1.00 0.00 C ATOM 79 CD1 ILE A 6 26.341 17.368 3.026 1.00 0.00 C ATOM 0 H ILE A 6 24.131 15.242 0.597 1.00 0.00 H new ATOM 0 HA ILE A 6 25.912 13.247 1.771 1.00 0.00 H new ATOM 0 HB ILE A 6 24.442 15.425 3.281 1.00 0.00 H new ATOM 0 HG12 ILE A 6 27.073 15.774 1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 6 25.541 16.438 1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 6 26.458 15.296 4.713 1.00 0.00 H new ATOM 0 HG22 ILE A 6 25.665 13.710 4.557 1.00 0.00 H new ATOM 0 HG23 ILE A 6 27.142 14.062 3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 6 26.870 18.127 2.450 1.00 0.00 H new ATOM 0 HD12 ILE A 6 25.381 17.766 3.356 1.00 0.00 H new ATOM 0 HD13 ILE A 6 26.937 17.091 3.896 1.00 0.00 H new ATOM 91 N PHE A 7 24.200 11.862 2.960 1.00 0.00 N ATOM 92 CA PHE A 7 23.209 11.011 3.591 1.00 0.00 C ATOM 93 C PHE A 7 23.468 10.941 5.092 1.00 0.00 C ATOM 94 O PHE A 7 24.345 10.207 5.551 1.00 0.00 O ATOM 95 CB PHE A 7 23.240 9.611 2.969 1.00 0.00 C ATOM 96 CG PHE A 7 22.138 8.706 3.445 1.00 0.00 C ATOM 97 CD1 PHE A 7 20.847 8.852 2.962 1.00 0.00 C ATOM 98 CD2 PHE A 7 22.395 7.707 4.371 1.00 0.00 C ATOM 99 CE1 PHE A 7 19.834 8.018 3.393 1.00 0.00 C ATOM 100 CE2 PHE A 7 21.385 6.871 4.806 1.00 0.00 C ATOM 101 CZ PHE A 7 20.103 7.027 4.316 1.00 0.00 C ATOM 0 H PHE A 7 25.132 11.452 2.902 1.00 0.00 H new ATOM 0 HA PHE A 7 22.218 11.434 3.428 1.00 0.00 H new ATOM 0 HB2 PHE A 7 23.176 9.705 1.885 1.00 0.00 H new ATOM 0 HB3 PHE A 7 24.200 9.146 3.193 1.00 0.00 H new ATOM 0 HD1 PHE A 7 20.631 9.626 2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 7 23.396 7.581 4.757 1.00 0.00 H new ATOM 0 HE1 PHE A 7 18.832 8.141 3.008 1.00 0.00 H new ATOM 0 HE2 PHE A 7 21.597 6.097 5.528 1.00 0.00 H new ATOM 0 HZ PHE A 7 19.312 6.374 4.655 1.00 0.00 H new ATOM 111 N TYR A 8 22.720 11.734 5.846 1.00 0.00 N ATOM 112 CA TYR A 8 22.860 11.770 7.295 1.00 0.00 C ATOM 113 C TYR A 8 21.935 10.754 7.947 1.00 0.00 C ATOM 114 O TYR A 8 20.722 10.780 7.733 1.00 0.00 O ATOM 115 CB TYR A 8 22.537 13.165 7.843 1.00 0.00 C ATOM 116 CG TYR A 8 23.576 14.223 7.541 1.00 0.00 C ATOM 117 CD1 TYR A 8 24.773 14.266 8.243 1.00 0.00 C ATOM 118 CD2 TYR A 8 23.347 15.195 6.576 1.00 0.00 C ATOM 119 CE1 TYR A 8 25.714 15.247 7.991 1.00 0.00 C ATOM 120 CE2 TYR A 8 24.285 16.175 6.315 1.00 0.00 C ATOM 121 CZ TYR A 8 25.466 16.198 7.027 1.00 0.00 C ATOM 122 OH TYR A 8 26.399 17.177 6.774 1.00 0.00 O ATOM 0 H TYR A 8 22.007 12.363 5.477 1.00 0.00 H new ATOM 0 HA TYR A 8 23.895 11.524 7.531 1.00 0.00 H new ATOM 0 HB2 TYR A 8 21.580 13.488 7.433 1.00 0.00 H new ATOM 0 HB3 TYR A 8 22.413 13.096 8.924 1.00 0.00 H new ATOM 0 HD1 TYR A 8 24.972 13.521 8.999 1.00 0.00 H new ATOM 0 HD2 TYR A 8 22.421 15.185 6.021 1.00 0.00 H new ATOM 0 HE1 TYR A 8 26.639 15.267 8.548 1.00 0.00 H new ATOM 0 HE2 TYR A 8 24.094 16.920 5.557 1.00 0.00 H new ATOM 0 HH TYR A 8 26.069 17.767 6.065 1.00 0.00 H new ATOM 132 N HIS A 9 22.505 9.862 8.740 1.00 0.00 N ATOM 133 CA HIS A 9 21.715 8.880 9.469 1.00 0.00 C ATOM 134 C HIS A 9 22.299 8.659 10.861 1.00 0.00 C ATOM 135 O HIS A 9 23.379 9.159 11.174 1.00 0.00 O ATOM 136 CB HIS A 9 21.648 7.552 8.703 1.00 0.00 C ATOM 137 CG HIS A 9 22.972 6.873 8.529 1.00 0.00 C ATOM 138 ND1 HIS A 9 23.376 5.869 9.373 1.00 0.00 N ATOM 139 CD2 HIS A 9 23.932 7.084 7.600 1.00 0.00 C ATOM 140 CE1 HIS A 9 24.567 5.495 8.940 1.00 0.00 C ATOM 141 NE2 HIS A 9 24.945 6.199 7.867 1.00 0.00 N ATOM 0 H HIS A 9 23.511 9.796 8.896 1.00 0.00 H new ATOM 0 HA HIS A 9 20.701 9.266 9.570 1.00 0.00 H new ATOM 0 HB2 HIS A 9 20.973 6.877 9.228 1.00 0.00 H new ATOM 0 HB3 HIS A 9 21.215 7.735 7.720 1.00 0.00 H new ATOM 0 HD2 HIS A 9 23.906 7.810 6.801 1.00 0.00 H new ATOM 0 HE1 HIS A 9 25.162 4.717 9.396 1.00 0.00 H new ATOM 0 HE2 HIS A 9 25.817 6.097 7.348 1.00 0.00 H new ATOM 149 N ALA A 10 21.584 7.914 11.691 1.00 0.00 N ATOM 150 CA ALA A 10 22.026 7.655 13.056 1.00 0.00 C ATOM 151 C ALA A 10 22.130 6.157 13.322 1.00 0.00 C ATOM 152 O ALA A 10 22.219 5.725 14.469 1.00 0.00 O ATOM 153 CB ALA A 10 21.078 8.307 14.051 1.00 0.00 C ATOM 0 H ALA A 10 20.696 7.478 11.445 1.00 0.00 H new ATOM 0 HA ALA A 10 23.018 8.090 13.180 1.00 0.00 H new ATOM 0 HB1 ALA A 10 21.421 8.105 15.066 1.00 0.00 H new ATOM 0 HB2 ALA A 10 21.058 9.384 13.882 1.00 0.00 H new ATOM 0 HB3 ALA A 10 20.076 7.900 13.919 1.00 0.00 H new ATOM 159 N GLY A 11 22.133 5.371 12.253 1.00 0.00 N ATOM 160 CA GLY A 11 22.232 3.930 12.395 1.00 0.00 C ATOM 161 C GLY A 11 20.936 3.297 12.857 1.00 0.00 C ATOM 162 O GLY A 11 20.929 2.176 13.368 1.00 0.00 O ATOM 0 H GLY A 11 22.069 5.704 11.291 1.00 0.00 H new ATOM 0 HA2 GLY A 11 22.524 3.494 11.439 1.00 0.00 H new ATOM 0 HA3 GLY A 11 23.022 3.693 13.108 1.00 0.00 H new ATOM 166 N CYS A 12 19.837 4.011 12.681 1.00 0.00 N ATOM 167 CA CYS A 12 18.529 3.500 13.051 1.00 0.00 C ATOM 168 C CYS A 12 18.030 2.533 11.978 1.00 0.00 C ATOM 169 O CYS A 12 18.358 2.693 10.804 1.00 0.00 O ATOM 170 CB CYS A 12 17.546 4.662 13.206 1.00 0.00 C ATOM 171 SG CYS A 12 18.183 6.041 14.190 1.00 0.00 S ATOM 0 H CYS A 12 19.825 4.950 12.283 1.00 0.00 H new ATOM 0 HA CYS A 12 18.605 2.969 14.000 1.00 0.00 H new ATOM 0 HB2 CYS A 12 17.276 5.030 12.216 1.00 0.00 H new ATOM 0 HB3 CYS A 12 16.631 4.291 13.669 1.00 0.00 H new ATOM 0 HG CYS A 12 17.282 6.975 14.263 1.00 0.00 H new ATOM 177 N PRO A 13 17.232 1.521 12.359 1.00 0.00 N ATOM 178 CA PRO A 13 16.678 0.543 11.411 1.00 0.00 C ATOM 179 C PRO A 13 15.891 1.210 10.280 1.00 0.00 C ATOM 180 O PRO A 13 15.801 0.683 9.171 1.00 0.00 O ATOM 181 CB PRO A 13 15.751 -0.327 12.272 1.00 0.00 C ATOM 182 CG PRO A 13 15.565 0.426 13.548 1.00 0.00 C ATOM 183 CD PRO A 13 16.816 1.233 13.740 1.00 0.00 C ATOM 0 HA PRO A 13 17.465 -0.025 10.915 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.796 -0.495 11.773 1.00 0.00 H new ATOM 0 HB3 PRO A 13 16.192 -1.307 12.456 1.00 0.00 H new ATOM 0 HG2 PRO A 13 14.689 1.072 13.495 1.00 0.00 H new ATOM 0 HG3 PRO A 13 15.409 -0.256 14.384 1.00 0.00 H new ATOM 0 HD2 PRO A 13 16.626 2.146 14.304 1.00 0.00 H new ATOM 0 HD3 PRO A 13 17.578 0.675 14.284 1.00 0.00 H new ATOM 191 N VAL A 14 15.336 2.382 10.567 1.00 0.00 N ATOM 192 CA VAL A 14 14.592 3.149 9.575 1.00 0.00 C ATOM 193 C VAL A 14 15.530 3.672 8.483 1.00 0.00 C ATOM 194 O VAL A 14 15.144 3.797 7.319 1.00 0.00 O ATOM 195 CB VAL A 14 13.858 4.338 10.232 1.00 0.00 C ATOM 196 CG1 VAL A 14 12.953 5.042 9.235 1.00 0.00 C ATOM 197 CG2 VAL A 14 13.063 3.872 11.443 1.00 0.00 C ATOM 0 H VAL A 14 15.388 2.824 11.485 1.00 0.00 H new ATOM 0 HA VAL A 14 13.855 2.482 9.128 1.00 0.00 H new ATOM 0 HB VAL A 14 14.609 5.054 10.566 1.00 0.00 H new ATOM 0 HG11 VAL A 14 12.449 5.875 9.726 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.550 5.418 8.404 1.00 0.00 H new ATOM 0 HG13 VAL A 14 12.210 4.339 8.859 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.553 4.724 11.893 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.327 3.131 11.132 1.00 0.00 H new ATOM 0 HG23 VAL A 14 13.739 3.427 12.173 1.00 0.00 H new ATOM 207 N CYS A 15 16.771 3.944 8.864 1.00 0.00 N ATOM 208 CA CYS A 15 17.761 4.484 7.941 1.00 0.00 C ATOM 209 C CYS A 15 18.219 3.414 6.955 1.00 0.00 C ATOM 210 O CYS A 15 18.596 3.719 5.822 1.00 0.00 O ATOM 211 CB CYS A 15 18.963 5.025 8.721 1.00 0.00 C ATOM 212 SG CYS A 15 18.530 6.198 10.030 1.00 0.00 S ATOM 0 H CYS A 15 17.118 3.798 9.812 1.00 0.00 H new ATOM 0 HA CYS A 15 17.302 5.298 7.379 1.00 0.00 H new ATOM 0 HB2 CYS A 15 19.502 4.187 9.163 1.00 0.00 H new ATOM 0 HB3 CYS A 15 19.645 5.511 8.024 1.00 0.00 H new ATOM 0 HG CYS A 15 19.020 7.368 9.744 1.00 0.00 H new ATOM 218 N VAL A 16 18.155 2.157 7.390 1.00 0.00 N ATOM 219 CA VAL A 16 18.607 1.029 6.580 1.00 0.00 C ATOM 220 C VAL A 16 17.866 0.971 5.249 1.00 0.00 C ATOM 221 O VAL A 16 18.488 0.888 4.194 1.00 0.00 O ATOM 222 CB VAL A 16 18.415 -0.313 7.321 1.00 0.00 C ATOM 223 CG1 VAL A 16 18.887 -1.478 6.463 1.00 0.00 C ATOM 224 CG2 VAL A 16 19.151 -0.301 8.650 1.00 0.00 C ATOM 0 H VAL A 16 17.792 1.894 8.306 1.00 0.00 H new ATOM 0 HA VAL A 16 19.670 1.184 6.394 1.00 0.00 H new ATOM 0 HB VAL A 16 17.350 -0.442 7.516 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.742 -2.412 7.006 1.00 0.00 H new ATOM 0 HG12 VAL A 16 18.313 -1.504 5.537 1.00 0.00 H new ATOM 0 HG13 VAL A 16 19.945 -1.354 6.231 1.00 0.00 H new ATOM 0 HG21 VAL A 16 19.003 -1.255 9.156 1.00 0.00 H new ATOM 0 HG22 VAL A 16 20.215 -0.144 8.475 1.00 0.00 H new ATOM 0 HG23 VAL A 16 18.763 0.505 9.273 1.00 0.00 H new ATOM 234 N SER A 17 16.540 1.031 5.308 1.00 0.00 N ATOM 235 CA SER A 17 15.708 0.929 4.116 1.00 0.00 C ATOM 236 C SER A 17 16.040 2.031 3.109 1.00 0.00 C ATOM 237 O SER A 17 16.125 1.782 1.904 1.00 0.00 O ATOM 238 CB SER A 17 14.235 1.004 4.515 1.00 0.00 C ATOM 239 OG SER A 17 13.942 0.066 5.535 1.00 0.00 O ATOM 0 H SER A 17 16.016 1.151 6.175 1.00 0.00 H new ATOM 0 HA SER A 17 15.909 -0.029 3.636 1.00 0.00 H new ATOM 0 HB2 SER A 17 13.998 2.010 4.861 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.608 0.810 3.645 1.00 0.00 H new ATOM 0 HG SER A 17 12.995 0.131 5.777 1.00 0.00 H new ATOM 245 N ALA A 18 16.253 3.242 3.614 1.00 0.00 N ATOM 246 CA ALA A 18 16.563 4.381 2.762 1.00 0.00 C ATOM 247 C ALA A 18 17.926 4.205 2.103 1.00 0.00 C ATOM 248 O ALA A 18 18.087 4.443 0.907 1.00 0.00 O ATOM 249 CB ALA A 18 16.527 5.666 3.571 1.00 0.00 C ATOM 0 H ALA A 18 16.216 3.458 4.610 1.00 0.00 H new ATOM 0 HA ALA A 18 15.810 4.440 1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 18 16.760 6.511 2.923 1.00 0.00 H new ATOM 0 HB2 ALA A 18 15.533 5.800 3.997 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.262 5.611 4.374 1.00 0.00 H new ATOM 255 N GLU A 19 18.899 3.773 2.893 1.00 0.00 N ATOM 256 CA GLU A 19 20.249 3.558 2.399 1.00 0.00 C ATOM 257 C GLU A 19 20.280 2.398 1.406 1.00 0.00 C ATOM 258 O GLU A 19 20.921 2.476 0.360 1.00 0.00 O ATOM 259 CB GLU A 19 21.187 3.266 3.570 1.00 0.00 C ATOM 260 CG GLU A 19 22.652 3.196 3.180 1.00 0.00 C ATOM 261 CD GLU A 19 23.524 2.691 4.308 1.00 0.00 C ATOM 262 OE1 GLU A 19 23.695 3.415 5.308 1.00 0.00 O ATOM 263 OE2 GLU A 19 24.026 1.551 4.210 1.00 0.00 O ATOM 0 H GLU A 19 18.776 3.564 3.884 1.00 0.00 H new ATOM 0 HA GLU A 19 20.581 4.461 1.886 1.00 0.00 H new ATOM 0 HB2 GLU A 19 21.059 4.040 4.327 1.00 0.00 H new ATOM 0 HB3 GLU A 19 20.897 2.320 4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 19 22.765 2.541 2.316 1.00 0.00 H new ATOM 0 HG3 GLU A 19 22.992 4.186 2.876 1.00 0.00 H new ATOM 270 N GLN A 20 19.566 1.334 1.740 1.00 0.00 N ATOM 271 CA GLN A 20 19.552 0.120 0.934 1.00 0.00 C ATOM 272 C GLN A 20 19.069 0.387 -0.486 1.00 0.00 C ATOM 273 O GLN A 20 19.770 0.095 -1.452 1.00 0.00 O ATOM 274 CB GLN A 20 18.656 -0.930 1.586 1.00 0.00 C ATOM 275 CG GLN A 20 18.644 -2.259 0.852 1.00 0.00 C ATOM 276 CD GLN A 20 17.552 -3.184 1.344 1.00 0.00 C ATOM 277 OE1 GLN A 20 17.136 -3.116 2.499 1.00 0.00 O ATOM 278 NE2 GLN A 20 17.082 -4.058 0.471 1.00 0.00 N ATOM 0 H GLN A 20 18.981 1.286 2.574 1.00 0.00 H new ATOM 0 HA GLN A 20 20.577 -0.247 0.879 1.00 0.00 H new ATOM 0 HB2 GLN A 20 18.989 -1.094 2.611 1.00 0.00 H new ATOM 0 HB3 GLN A 20 17.638 -0.544 1.639 1.00 0.00 H new ATOM 0 HG2 GLN A 20 18.510 -2.080 -0.215 1.00 0.00 H new ATOM 0 HG3 GLN A 20 19.611 -2.747 0.975 1.00 0.00 H new ATOM 0 HE21 GLN A 20 17.455 -4.082 -0.478 1.00 0.00 H new ATOM 0 HE22 GLN A 20 16.347 -4.709 0.746 1.00 0.00 H new ATOM 287 N ALA A 21 17.875 0.940 -0.611 1.00 0.00 N ATOM 288 CA ALA A 21 17.272 1.125 -1.921 1.00 0.00 C ATOM 289 C ALA A 21 17.589 2.494 -2.509 1.00 0.00 C ATOM 290 O ALA A 21 18.177 2.584 -3.579 1.00 0.00 O ATOM 291 CB ALA A 21 15.771 0.917 -1.845 1.00 0.00 C ATOM 0 H ALA A 21 17.307 1.267 0.171 1.00 0.00 H new ATOM 0 HA ALA A 21 17.704 0.378 -2.587 1.00 0.00 H new ATOM 0 HB1 ALA A 21 15.334 1.059 -2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 21 15.561 -0.094 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 21 15.339 1.637 -1.150 1.00 0.00 H new ATOM 297 N VAL A 22 17.217 3.554 -1.800 1.00 0.00 N ATOM 298 CA VAL A 22 17.330 4.909 -2.336 1.00 0.00 C ATOM 299 C VAL A 22 18.787 5.297 -2.586 1.00 0.00 C ATOM 300 O VAL A 22 19.133 5.769 -3.668 1.00 0.00 O ATOM 301 CB VAL A 22 16.682 5.954 -1.403 1.00 0.00 C ATOM 302 CG1 VAL A 22 16.651 7.323 -2.065 1.00 0.00 C ATOM 303 CG2 VAL A 22 15.281 5.518 -0.998 1.00 0.00 C ATOM 0 H VAL A 22 16.835 3.504 -0.855 1.00 0.00 H new ATOM 0 HA VAL A 22 16.794 4.905 -3.285 1.00 0.00 H new ATOM 0 HB VAL A 22 17.289 6.028 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 22 16.190 8.044 -1.389 1.00 0.00 H new ATOM 0 HG12 VAL A 22 17.669 7.640 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 22 16.072 7.268 -2.987 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.842 6.269 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 22 14.662 5.409 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 22 15.334 4.563 -0.474 1.00 0.00 H new ATOM 313 N ALA A 23 19.642 5.075 -1.594 1.00 0.00 N ATOM 314 CA ALA A 23 21.049 5.453 -1.704 1.00 0.00 C ATOM 315 C ALA A 23 21.792 4.586 -2.720 1.00 0.00 C ATOM 316 O ALA A 23 22.901 4.917 -3.132 1.00 0.00 O ATOM 317 CB ALA A 23 21.728 5.384 -0.345 1.00 0.00 C ATOM 0 H ALA A 23 19.389 4.637 -0.708 1.00 0.00 H new ATOM 0 HA ALA A 23 21.085 6.482 -2.063 1.00 0.00 H new ATOM 0 HB1 ALA A 23 22.775 5.669 -0.447 1.00 0.00 H new ATOM 0 HB2 ALA A 23 21.232 6.067 0.345 1.00 0.00 H new ATOM 0 HB3 ALA A 23 21.665 4.367 0.042 1.00 0.00 H new ATOM 323 N ASN A 24 21.181 3.476 -3.118 1.00 0.00 N ATOM 324 CA ASN A 24 21.762 2.616 -4.146 1.00 0.00 C ATOM 325 C ASN A 24 21.011 2.768 -5.463 1.00 0.00 C ATOM 326 O ASN A 24 21.326 2.106 -6.454 1.00 0.00 O ATOM 327 CB ASN A 24 21.771 1.151 -3.700 1.00 0.00 C ATOM 328 CG ASN A 24 22.848 0.858 -2.671 1.00 0.00 C ATOM 329 OD1 ASN A 24 23.984 0.537 -3.020 1.00 0.00 O ATOM 330 ND2 ASN A 24 22.506 0.953 -1.396 1.00 0.00 N ATOM 0 H ASN A 24 20.288 3.150 -2.748 1.00 0.00 H new ATOM 0 HA ASN A 24 22.795 2.929 -4.298 1.00 0.00 H new ATOM 0 HB2 ASN A 24 20.797 0.897 -3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 24 21.922 0.512 -4.570 1.00 0.00 H new ATOM 0 HD21 ASN A 24 23.193 0.758 -0.668 1.00 0.00 H new ATOM 0 HD22 ASN A 24 21.555 1.222 -1.142 1.00 0.00 H new ATOM 337 N ALA A 25 20.009 3.639 -5.465 1.00 0.00 N ATOM 338 CA ALA A 25 19.279 3.966 -6.681 1.00 0.00 C ATOM 339 C ALA A 25 19.892 5.197 -7.329 1.00 0.00 C ATOM 340 O ALA A 25 19.843 5.367 -8.550 1.00 0.00 O ATOM 341 CB ALA A 25 17.806 4.197 -6.380 1.00 0.00 C ATOM 0 H ALA A 25 19.683 4.133 -4.634 1.00 0.00 H new ATOM 0 HA ALA A 25 19.351 3.127 -7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 25 17.280 4.440 -7.303 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.378 3.294 -5.945 1.00 0.00 H new ATOM 0 HB3 ALA A 25 17.704 5.023 -5.676 1.00 0.00 H new ATOM 347 N ILE A 26 20.468 6.054 -6.493 1.00 0.00 N ATOM 348 CA ILE A 26 21.207 7.212 -6.963 1.00 0.00 C ATOM 349 C ILE A 26 22.453 6.755 -7.706 1.00 0.00 C ATOM 350 O ILE A 26 23.295 6.051 -7.146 1.00 0.00 O ATOM 351 CB ILE A 26 21.625 8.129 -5.794 1.00 0.00 C ATOM 352 CG1 ILE A 26 20.387 8.645 -5.050 1.00 0.00 C ATOM 353 CG2 ILE A 26 22.475 9.289 -6.301 1.00 0.00 C ATOM 354 CD1 ILE A 26 20.716 9.479 -3.831 1.00 0.00 C ATOM 0 H ILE A 26 20.434 5.964 -5.478 1.00 0.00 H new ATOM 0 HA ILE A 26 20.555 7.778 -7.628 1.00 0.00 H new ATOM 0 HB ILE A 26 22.227 7.548 -5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 26 19.784 9.241 -5.735 1.00 0.00 H new ATOM 0 HG13 ILE A 26 19.777 7.795 -4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 26 22.760 9.925 -5.463 1.00 0.00 H new ATOM 0 HG22 ILE A 26 23.372 8.900 -6.783 1.00 0.00 H new ATOM 0 HG23 ILE A 26 21.901 9.873 -7.021 1.00 0.00 H new ATOM 0 HD11 ILE A 26 19.792 9.809 -3.356 1.00 0.00 H new ATOM 0 HD12 ILE A 26 21.293 8.881 -3.126 1.00 0.00 H new ATOM 0 HD13 ILE A 26 21.300 10.349 -4.132 1.00 0.00 H new ATOM 366 N ASP A 27 22.564 7.137 -8.966 1.00 0.00 N ATOM 367 CA ASP A 27 23.697 6.717 -9.772 1.00 0.00 C ATOM 368 C ASP A 27 24.900 7.617 -9.497 1.00 0.00 C ATOM 369 O ASP A 27 24.799 8.844 -9.589 1.00 0.00 O ATOM 370 CB ASP A 27 23.343 6.743 -11.259 1.00 0.00 C ATOM 371 CG ASP A 27 24.232 5.825 -12.075 1.00 0.00 C ATOM 372 OD1 ASP A 27 25.431 6.135 -12.242 1.00 0.00 O ATOM 373 OD2 ASP A 27 23.732 4.784 -12.560 1.00 0.00 O ATOM 0 H ASP A 27 21.891 7.731 -9.450 1.00 0.00 H new ATOM 0 HA ASP A 27 23.953 5.693 -9.500 1.00 0.00 H new ATOM 0 HB2 ASP A 27 22.302 6.447 -11.388 1.00 0.00 H new ATOM 0 HB3 ASP A 27 23.434 7.762 -11.635 1.00 0.00 H new ATOM 378 N PRO A 28 26.047 7.015 -9.143 1.00 0.00 N ATOM 379 CA PRO A 28 27.282 7.748 -8.816 1.00 0.00 C ATOM 380 C PRO A 28 27.760 8.670 -9.940 1.00 0.00 C ATOM 381 O PRO A 28 28.534 9.596 -9.703 1.00 0.00 O ATOM 382 CB PRO A 28 28.308 6.638 -8.574 1.00 0.00 C ATOM 383 CG PRO A 28 27.498 5.441 -8.217 1.00 0.00 C ATOM 384 CD PRO A 28 26.224 5.558 -9.002 1.00 0.00 C ATOM 0 HA PRO A 28 27.128 8.410 -7.964 1.00 0.00 H new ATOM 0 HB2 PRO A 28 28.911 6.456 -9.464 1.00 0.00 H new ATOM 0 HB3 PRO A 28 28.996 6.904 -7.771 1.00 0.00 H new ATOM 0 HG2 PRO A 28 28.028 4.522 -8.467 1.00 0.00 H new ATOM 0 HG3 PRO A 28 27.296 5.411 -7.146 1.00 0.00 H new ATOM 0 HD2 PRO A 28 26.302 5.066 -9.972 1.00 0.00 H new ATOM 0 HD3 PRO A 28 25.385 5.099 -8.479 1.00 0.00 H new ATOM 392 N SER A 29 27.296 8.421 -11.161 1.00 0.00 N ATOM 393 CA SER A 29 27.664 9.259 -12.293 1.00 0.00 C ATOM 394 C SER A 29 26.963 10.615 -12.211 1.00 0.00 C ATOM 395 O SER A 29 27.295 11.551 -12.943 1.00 0.00 O ATOM 396 CB SER A 29 27.317 8.556 -13.610 1.00 0.00 C ATOM 397 OG SER A 29 25.939 8.233 -13.673 1.00 0.00 O ATOM 0 H SER A 29 26.668 7.650 -11.389 1.00 0.00 H new ATOM 0 HA SER A 29 28.740 9.428 -12.261 1.00 0.00 H new ATOM 0 HB2 SER A 29 27.581 9.200 -14.449 1.00 0.00 H new ATOM 0 HB3 SER A 29 27.911 7.647 -13.707 1.00 0.00 H new ATOM 0 HG SER A 29 25.770 7.419 -13.154 1.00 0.00 H new ATOM 403 N LYS A 30 25.992 10.716 -11.310 1.00 0.00 N ATOM 404 CA LYS A 30 25.243 11.947 -11.127 1.00 0.00 C ATOM 405 C LYS A 30 25.602 12.609 -9.800 1.00 0.00 C ATOM 406 O LYS A 30 25.943 13.794 -9.755 1.00 0.00 O ATOM 407 CB LYS A 30 23.741 11.662 -11.156 1.00 0.00 C ATOM 408 CG LYS A 30 23.275 10.922 -12.395 1.00 0.00 C ATOM 409 CD LYS A 30 21.804 10.567 -12.292 1.00 0.00 C ATOM 410 CE LYS A 30 21.344 9.724 -13.468 1.00 0.00 C ATOM 411 NZ LYS A 30 21.319 10.492 -14.741 1.00 0.00 N ATOM 0 H LYS A 30 25.707 9.955 -10.694 1.00 0.00 H new ATOM 0 HA LYS A 30 25.503 12.622 -11.942 1.00 0.00 H new ATOM 0 HB2 LYS A 30 23.476 11.077 -10.275 1.00 0.00 H new ATOM 0 HB3 LYS A 30 23.201 12.606 -11.085 1.00 0.00 H new ATOM 0 HG2 LYS A 30 23.443 11.540 -13.277 1.00 0.00 H new ATOM 0 HG3 LYS A 30 23.864 10.014 -12.524 1.00 0.00 H new ATOM 0 HD2 LYS A 30 21.625 10.024 -11.364 1.00 0.00 H new ATOM 0 HD3 LYS A 30 21.212 11.481 -12.246 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.007 8.866 -13.578 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.347 9.333 -13.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 20.636 10.059 -15.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.038 11.475 -14.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.265 10.480 -15.172 1.00 0.00 H new ATOM 425 N TYR A 31 25.524 11.836 -8.724 1.00 0.00 N ATOM 426 CA TYR A 31 25.718 12.367 -7.380 1.00 0.00 C ATOM 427 C TYR A 31 26.688 11.506 -6.580 1.00 0.00 C ATOM 428 O TYR A 31 26.778 10.297 -6.788 1.00 0.00 O ATOM 429 CB TYR A 31 24.378 12.442 -6.634 1.00 0.00 C ATOM 430 CG TYR A 31 23.396 13.444 -7.205 1.00 0.00 C ATOM 431 CD1 TYR A 31 22.635 13.145 -8.328 1.00 0.00 C ATOM 432 CD2 TYR A 31 23.235 14.690 -6.620 1.00 0.00 C ATOM 433 CE1 TYR A 31 21.743 14.061 -8.851 1.00 0.00 C ATOM 434 CE2 TYR A 31 22.346 15.611 -7.137 1.00 0.00 C ATOM 435 CZ TYR A 31 21.603 15.293 -8.251 1.00 0.00 C ATOM 436 OH TYR A 31 20.725 16.214 -8.773 1.00 0.00 O ATOM 0 H TYR A 31 25.327 10.836 -8.756 1.00 0.00 H new ATOM 0 HA TYR A 31 26.138 13.368 -7.481 1.00 0.00 H new ATOM 0 HB2 TYR A 31 23.916 11.455 -6.642 1.00 0.00 H new ATOM 0 HB3 TYR A 31 24.571 12.695 -5.591 1.00 0.00 H new ATOM 0 HD1 TYR A 31 22.743 12.180 -8.800 1.00 0.00 H new ATOM 0 HD2 TYR A 31 23.815 14.945 -5.745 1.00 0.00 H new ATOM 0 HE1 TYR A 31 21.159 13.813 -9.725 1.00 0.00 H new ATOM 0 HE2 TYR A 31 22.234 16.578 -6.669 1.00 0.00 H new ATOM 0 HH TYR A 31 20.367 15.880 -9.622 1.00 0.00 H new ATOM 446 N THR A 32 27.408 12.140 -5.669 1.00 0.00 N ATOM 447 CA THR A 32 28.269 11.432 -4.737 1.00 0.00 C ATOM 448 C THR A 32 27.555 11.287 -3.398 1.00 0.00 C ATOM 449 O THR A 32 27.347 12.275 -2.695 1.00 0.00 O ATOM 450 CB THR A 32 29.600 12.181 -4.525 1.00 0.00 C ATOM 451 OG1 THR A 32 30.215 12.451 -5.791 1.00 0.00 O ATOM 452 CG2 THR A 32 30.554 11.366 -3.660 1.00 0.00 C ATOM 0 H THR A 32 27.412 13.154 -5.555 1.00 0.00 H new ATOM 0 HA THR A 32 28.490 10.450 -5.156 1.00 0.00 H new ATOM 0 HB THR A 32 29.384 13.119 -4.014 1.00 0.00 H new ATOM 0 HG1 THR A 32 31.059 12.928 -5.649 1.00 0.00 H new ATOM 0 HG21 THR A 32 31.485 11.917 -3.526 1.00 0.00 H new ATOM 0 HG22 THR A 32 30.097 11.183 -2.687 1.00 0.00 H new ATOM 0 HG23 THR A 32 30.763 10.414 -4.147 1.00 0.00 H new ATOM 460 N VAL A 33 27.159 10.065 -3.064 1.00 0.00 N ATOM 461 CA VAL A 33 26.408 9.814 -1.842 1.00 0.00 C ATOM 462 C VAL A 33 27.348 9.657 -0.651 1.00 0.00 C ATOM 463 O VAL A 33 28.007 8.629 -0.496 1.00 0.00 O ATOM 464 CB VAL A 33 25.525 8.551 -1.966 1.00 0.00 C ATOM 465 CG1 VAL A 33 24.650 8.381 -0.731 1.00 0.00 C ATOM 466 CG2 VAL A 33 24.672 8.613 -3.223 1.00 0.00 C ATOM 0 H VAL A 33 27.346 9.233 -3.623 1.00 0.00 H new ATOM 0 HA VAL A 33 25.761 10.676 -1.682 1.00 0.00 H new ATOM 0 HB VAL A 33 26.181 7.684 -2.041 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.037 7.486 -0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 33 25.282 8.283 0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 33 24.004 9.252 -0.620 1.00 0.00 H new ATOM 0 HG21 VAL A 33 24.058 7.715 -3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 33 24.027 9.491 -3.182 1.00 0.00 H new ATOM 0 HG23 VAL A 33 25.318 8.678 -4.098 1.00 0.00 H new ATOM 476 N GLU A 34 27.412 10.688 0.177 1.00 0.00 N ATOM 477 CA GLU A 34 28.268 10.682 1.352 1.00 0.00 C ATOM 478 C GLU A 34 27.527 10.090 2.545 1.00 0.00 C ATOM 479 O GLU A 34 26.632 10.720 3.102 1.00 0.00 O ATOM 480 CB GLU A 34 28.722 12.104 1.684 1.00 0.00 C ATOM 481 CG GLU A 34 29.400 12.813 0.525 1.00 0.00 C ATOM 482 CD GLU A 34 29.743 14.250 0.852 1.00 0.00 C ATOM 483 OE1 GLU A 34 28.816 15.077 0.946 1.00 0.00 O ATOM 484 OE2 GLU A 34 30.942 14.564 1.006 1.00 0.00 O ATOM 0 H GLU A 34 26.876 11.547 0.055 1.00 0.00 H new ATOM 0 HA GLU A 34 29.143 10.069 1.137 1.00 0.00 H new ATOM 0 HB2 GLU A 34 27.857 12.688 2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 34 29.409 12.069 2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.310 12.277 0.256 1.00 0.00 H new ATOM 0 HG3 GLU A 34 28.746 12.787 -0.346 1.00 0.00 H new ATOM 491 N ILE A 35 27.891 8.875 2.921 1.00 0.00 N ATOM 492 CA ILE A 35 27.266 8.207 4.054 1.00 0.00 C ATOM 493 C ILE A 35 27.846 8.743 5.360 1.00 0.00 C ATOM 494 O ILE A 35 29.004 8.477 5.686 1.00 0.00 O ATOM 495 CB ILE A 35 27.471 6.676 3.986 1.00 0.00 C ATOM 496 CG1 ILE A 35 26.919 6.115 2.669 1.00 0.00 C ATOM 497 CG2 ILE A 35 26.813 5.988 5.176 1.00 0.00 C ATOM 498 CD1 ILE A 35 25.432 6.343 2.476 1.00 0.00 C ATOM 0 H ILE A 35 28.618 8.329 2.458 1.00 0.00 H new ATOM 0 HA ILE A 35 26.196 8.412 4.016 1.00 0.00 H new ATOM 0 HB ILE A 35 28.542 6.475 4.025 1.00 0.00 H new ATOM 0 HG12 ILE A 35 27.457 6.571 1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 35 27.120 5.044 2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 35 26.970 4.912 5.107 1.00 0.00 H new ATOM 0 HG22 ILE A 35 27.254 6.360 6.101 1.00 0.00 H new ATOM 0 HG23 ILE A 35 25.744 6.199 5.173 1.00 0.00 H new ATOM 0 HD11 ILE A 35 25.119 5.918 1.522 1.00 0.00 H new ATOM 0 HD12 ILE A 35 24.882 5.863 3.285 1.00 0.00 H new ATOM 0 HD13 ILE A 35 25.224 7.413 2.481 1.00 0.00 H new ATOM 510 N VAL A 36 27.048 9.510 6.095 1.00 0.00 N ATOM 511 CA VAL A 36 27.516 10.134 7.326 1.00 0.00 C ATOM 512 C VAL A 36 26.699 9.674 8.530 1.00 0.00 C ATOM 513 O VAL A 36 25.500 9.945 8.625 1.00 0.00 O ATOM 514 CB VAL A 36 27.464 11.676 7.237 1.00 0.00 C ATOM 515 CG1 VAL A 36 27.980 12.310 8.522 1.00 0.00 C ATOM 516 CG2 VAL A 36 28.261 12.172 6.039 1.00 0.00 C ATOM 0 H VAL A 36 26.077 9.714 5.860 1.00 0.00 H new ATOM 0 HA VAL A 36 28.552 9.822 7.458 1.00 0.00 H new ATOM 0 HB VAL A 36 26.424 11.973 7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 36 27.934 13.396 8.436 1.00 0.00 H new ATOM 0 HG12 VAL A 36 27.364 11.986 9.361 1.00 0.00 H new ATOM 0 HG13 VAL A 36 29.012 12.003 8.690 1.00 0.00 H new ATOM 0 HG21 VAL A 36 28.212 13.260 5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 36 29.301 11.860 6.139 1.00 0.00 H new ATOM 0 HG23 VAL A 36 27.842 11.752 5.124 1.00 0.00 H new ATOM 526 N HIS A 37 27.360 8.980 9.444 1.00 0.00 N ATOM 527 CA HIS A 37 26.727 8.525 10.674 1.00 0.00 C ATOM 528 C HIS A 37 26.852 9.604 11.751 1.00 0.00 C ATOM 529 O HIS A 37 27.960 9.966 12.159 1.00 0.00 O ATOM 530 CB HIS A 37 27.382 7.220 11.141 1.00 0.00 C ATOM 531 CG HIS A 37 26.660 6.536 12.265 1.00 0.00 C ATOM 532 ND1 HIS A 37 26.948 6.815 13.576 1.00 0.00 N ATOM 533 CD2 HIS A 37 25.692 5.590 12.219 1.00 0.00 C ATOM 534 CE1 HIS A 37 26.159 6.036 14.295 1.00 0.00 C ATOM 535 NE2 HIS A 37 25.380 5.277 13.516 1.00 0.00 N ATOM 0 H HIS A 37 28.342 8.718 9.356 1.00 0.00 H new ATOM 0 HA HIS A 37 25.669 8.338 10.490 1.00 0.00 H new ATOM 0 HB2 HIS A 37 27.445 6.536 10.295 1.00 0.00 H new ATOM 0 HB3 HIS A 37 28.404 7.432 11.456 1.00 0.00 H new ATOM 0 HD2 HIS A 37 25.251 5.164 11.330 1.00 0.00 H new ATOM 0 HE1 HIS A 37 26.145 6.015 15.375 1.00 0.00 H new ATOM 0 HE2 HIS A 37 24.687 4.596 13.828 1.00 0.00 H new ATOM 543 N LEU A 38 25.716 10.124 12.199 1.00 0.00 N ATOM 544 CA LEU A 38 25.697 11.214 13.170 1.00 0.00 C ATOM 545 C LEU A 38 25.976 10.723 14.586 1.00 0.00 C ATOM 546 O LEU A 38 26.457 11.481 15.427 1.00 0.00 O ATOM 547 CB LEU A 38 24.356 11.948 13.125 1.00 0.00 C ATOM 548 CG LEU A 38 24.104 12.757 11.850 1.00 0.00 C ATOM 549 CD1 LEU A 38 22.745 13.435 11.910 1.00 0.00 C ATOM 550 CD2 LEU A 38 25.206 13.788 11.651 1.00 0.00 C ATOM 0 H LEU A 38 24.792 9.808 11.905 1.00 0.00 H new ATOM 0 HA LEU A 38 26.495 11.904 12.895 1.00 0.00 H new ATOM 0 HB2 LEU A 38 23.555 11.217 13.238 1.00 0.00 H new ATOM 0 HB3 LEU A 38 24.298 12.620 13.981 1.00 0.00 H new ATOM 0 HG LEU A 38 24.110 12.075 11.000 1.00 0.00 H new ATOM 0 HD11 LEU A 38 22.582 14.006 10.996 1.00 0.00 H new ATOM 0 HD12 LEU A 38 21.966 12.680 12.010 1.00 0.00 H new ATOM 0 HD13 LEU A 38 22.711 14.107 12.768 1.00 0.00 H new ATOM 0 HD21 LEU A 38 25.013 14.355 10.741 1.00 0.00 H new ATOM 0 HD22 LEU A 38 25.228 14.467 12.504 1.00 0.00 H new ATOM 0 HD23 LEU A 38 26.167 13.281 11.566 1.00 0.00 H new ATOM 562 N GLY A 39 25.705 9.449 14.842 1.00 0.00 N ATOM 563 CA GLY A 39 25.935 8.891 16.167 1.00 0.00 C ATOM 564 C GLY A 39 27.396 8.544 16.395 1.00 0.00 C ATOM 565 O GLY A 39 27.722 7.523 16.999 1.00 0.00 O ATOM 0 H GLY A 39 25.331 8.791 14.159 1.00 0.00 H new ATOM 0 HA2 GLY A 39 25.611 9.607 16.923 1.00 0.00 H new ATOM 0 HA3 GLY A 39 25.326 7.996 16.294 1.00 0.00 H new ATOM 569 N THR A 40 28.270 9.400 15.897 1.00 0.00 N ATOM 570 CA THR A 40 29.702 9.191 15.998 1.00 0.00 C ATOM 571 C THR A 40 30.394 10.471 16.458 1.00 0.00 C ATOM 572 O THR A 40 31.278 10.440 17.317 1.00 0.00 O ATOM 573 CB THR A 40 30.282 8.751 14.635 1.00 0.00 C ATOM 574 OG1 THR A 40 29.637 7.551 14.187 1.00 0.00 O ATOM 575 CG2 THR A 40 31.781 8.514 14.728 1.00 0.00 C ATOM 0 H THR A 40 28.007 10.258 15.412 1.00 0.00 H new ATOM 0 HA THR A 40 29.880 8.404 16.731 1.00 0.00 H new ATOM 0 HB THR A 40 30.100 9.553 13.920 1.00 0.00 H new ATOM 0 HG1 THR A 40 28.680 7.720 14.064 1.00 0.00 H new ATOM 0 HG21 THR A 40 32.162 8.205 13.754 1.00 0.00 H new ATOM 0 HG22 THR A 40 32.276 9.435 15.036 1.00 0.00 H new ATOM 0 HG23 THR A 40 31.981 7.732 15.460 1.00 0.00 H new ATOM 583 N ASP A 41 29.961 11.598 15.906 1.00 0.00 N ATOM 584 CA ASP A 41 30.600 12.882 16.164 1.00 0.00 C ATOM 585 C ASP A 41 29.551 13.949 16.466 1.00 0.00 C ATOM 586 O ASP A 41 28.588 14.110 15.717 1.00 0.00 O ATOM 587 CB ASP A 41 31.440 13.285 14.948 1.00 0.00 C ATOM 588 CG ASP A 41 32.030 14.673 15.069 1.00 0.00 C ATOM 589 OD1 ASP A 41 33.149 14.807 15.608 1.00 0.00 O ATOM 590 OD2 ASP A 41 31.383 15.629 14.614 1.00 0.00 O ATOM 0 H ASP A 41 29.164 11.648 15.272 1.00 0.00 H new ATOM 0 HA ASP A 41 31.250 12.791 17.034 1.00 0.00 H new ATOM 0 HB2 ASP A 41 32.247 12.564 14.816 1.00 0.00 H new ATOM 0 HB3 ASP A 41 30.820 13.237 14.053 1.00 0.00 H new ATOM 595 N LYS A 42 29.739 14.676 17.565 1.00 0.00 N ATOM 596 CA LYS A 42 28.766 15.678 17.996 1.00 0.00 C ATOM 597 C LYS A 42 29.037 17.050 17.383 1.00 0.00 C ATOM 598 O LYS A 42 28.310 18.009 17.644 1.00 0.00 O ATOM 599 CB LYS A 42 28.735 15.787 19.521 1.00 0.00 C ATOM 600 CG LYS A 42 28.012 14.639 20.200 1.00 0.00 C ATOM 601 CD LYS A 42 27.899 14.859 21.696 1.00 0.00 C ATOM 602 CE LYS A 42 27.033 13.804 22.364 1.00 0.00 C ATOM 603 NZ LYS A 42 27.580 12.432 22.187 1.00 0.00 N ATOM 0 H LYS A 42 30.554 14.591 18.172 1.00 0.00 H new ATOM 0 HA LYS A 42 27.792 15.342 17.640 1.00 0.00 H new ATOM 0 HB2 LYS A 42 29.758 15.832 19.894 1.00 0.00 H new ATOM 0 HB3 LYS A 42 28.253 16.724 19.800 1.00 0.00 H new ATOM 0 HG2 LYS A 42 27.016 14.531 19.771 1.00 0.00 H new ATOM 0 HG3 LYS A 42 28.545 13.708 20.008 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.894 14.845 22.140 1.00 0.00 H new ATOM 0 HD3 LYS A 42 27.479 15.846 21.886 1.00 0.00 H new ATOM 0 HE2 LYS A 42 26.950 14.025 23.428 1.00 0.00 H new ATOM 0 HE3 LYS A 42 26.026 13.848 21.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 27.005 11.756 22.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 27.557 12.176 21.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 28.562 12.403 22.529 1.00 0.00 H new ATOM 617 N ALA A 43 30.070 17.150 16.567 1.00 0.00 N ATOM 618 CA ALA A 43 30.335 18.392 15.860 1.00 0.00 C ATOM 619 C ALA A 43 29.487 18.442 14.597 1.00 0.00 C ATOM 620 O ALA A 43 29.037 19.508 14.171 1.00 0.00 O ATOM 621 CB ALA A 43 31.814 18.526 15.529 1.00 0.00 C ATOM 0 H ALA A 43 30.732 16.398 16.378 1.00 0.00 H new ATOM 0 HA ALA A 43 30.069 19.232 16.502 1.00 0.00 H new ATOM 0 HB1 ALA A 43 31.985 19.464 15.000 1.00 0.00 H new ATOM 0 HB2 ALA A 43 32.395 18.518 16.451 1.00 0.00 H new ATOM 0 HB3 ALA A 43 32.123 17.692 14.898 1.00 0.00 H new ATOM 627 N ARG A 44 29.242 17.264 14.033 1.00 0.00 N ATOM 628 CA ARG A 44 28.410 17.130 12.842 1.00 0.00 C ATOM 629 C ARG A 44 26.941 17.378 13.157 1.00 0.00 C ATOM 630 O ARG A 44 26.116 17.474 12.251 1.00 0.00 O ATOM 631 CB ARG A 44 28.598 15.747 12.214 1.00 0.00 C ATOM 632 CG ARG A 44 29.948 15.585 11.545 1.00 0.00 C ATOM 633 CD ARG A 44 30.122 14.211 10.929 1.00 0.00 C ATOM 634 NE ARG A 44 31.353 14.134 10.147 1.00 0.00 N ATOM 635 CZ ARG A 44 32.131 13.056 10.076 1.00 0.00 C ATOM 636 NH1 ARG A 44 31.813 11.951 10.741 1.00 0.00 N ATOM 637 NH2 ARG A 44 33.235 13.086 9.344 1.00 0.00 N ATOM 0 H ARG A 44 29.611 16.381 14.385 1.00 0.00 H new ATOM 0 HA ARG A 44 28.727 17.888 12.126 1.00 0.00 H new ATOM 0 HB2 ARG A 44 28.486 14.985 12.985 1.00 0.00 H new ATOM 0 HB3 ARG A 44 27.811 15.576 11.480 1.00 0.00 H new ATOM 0 HG2 ARG A 44 30.062 16.345 10.772 1.00 0.00 H new ATOM 0 HG3 ARG A 44 30.737 15.755 12.277 1.00 0.00 H new ATOM 0 HD2 ARG A 44 30.140 13.457 11.716 1.00 0.00 H new ATOM 0 HD3 ARG A 44 29.268 13.985 10.291 1.00 0.00 H new ATOM 0 HE ARG A 44 31.635 14.961 9.620 1.00 0.00 H new ATOM 0 HH11 ARG A 44 30.968 11.924 11.311 1.00 0.00 H new ATOM 0 HH12 ARG A 44 32.414 11.129 10.682 1.00 0.00 H new ATOM 0 HH21 ARG A 44 33.487 13.934 8.836 1.00 0.00 H new ATOM 0 HH22 ARG A 44 33.833 12.261 9.288 1.00 0.00 H new ATOM 651 N ILE A 45 26.615 17.487 14.441 1.00 0.00 N ATOM 652 CA ILE A 45 25.264 17.847 14.853 1.00 0.00 C ATOM 653 C ILE A 45 24.919 19.234 14.322 1.00 0.00 C ATOM 654 O ILE A 45 23.846 19.450 13.756 1.00 0.00 O ATOM 655 CB ILE A 45 25.110 17.826 16.392 1.00 0.00 C ATOM 656 CG1 ILE A 45 25.413 16.427 16.946 1.00 0.00 C ATOM 657 CG2 ILE A 45 23.710 18.272 16.801 1.00 0.00 C ATOM 658 CD1 ILE A 45 24.511 15.338 16.399 1.00 0.00 C ATOM 0 H ILE A 45 27.266 17.332 15.211 1.00 0.00 H new ATOM 0 HA ILE A 45 24.579 17.107 14.438 1.00 0.00 H new ATOM 0 HB ILE A 45 25.829 18.527 16.816 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.449 16.174 16.719 1.00 0.00 H new ATOM 0 HG13 ILE A 45 25.321 16.450 18.032 1.00 0.00 H new ATOM 0 HG21 ILE A 45 23.624 18.250 17.887 1.00 0.00 H new ATOM 0 HG22 ILE A 45 23.532 19.286 16.444 1.00 0.00 H new ATOM 0 HG23 ILE A 45 22.972 17.599 16.365 1.00 0.00 H new ATOM 0 HD11 ILE A 45 24.789 14.380 16.839 1.00 0.00 H new ATOM 0 HD12 ILE A 45 23.474 15.565 16.648 1.00 0.00 H new ATOM 0 HD13 ILE A 45 24.620 15.285 15.316 1.00 0.00 H new ATOM 670 N ALA A 46 25.854 20.166 14.477 1.00 0.00 N ATOM 671 CA ALA A 46 25.679 21.518 13.971 1.00 0.00 C ATOM 672 C ALA A 46 25.689 21.521 12.449 1.00 0.00 C ATOM 673 O ALA A 46 24.913 22.234 11.817 1.00 0.00 O ATOM 674 CB ALA A 46 26.767 22.437 14.504 1.00 0.00 C ATOM 0 H ALA A 46 26.743 20.006 14.951 1.00 0.00 H new ATOM 0 HA ALA A 46 24.714 21.889 14.316 1.00 0.00 H new ATOM 0 HB1 ALA A 46 26.617 23.443 14.113 1.00 0.00 H new ATOM 0 HB2 ALA A 46 26.722 22.460 15.593 1.00 0.00 H new ATOM 0 HB3 ALA A 46 27.743 22.067 14.189 1.00 0.00 H new ATOM 680 N GLU A 47 26.572 20.707 11.877 1.00 0.00 N ATOM 681 CA GLU A 47 26.701 20.591 10.428 1.00 0.00 C ATOM 682 C GLU A 47 25.401 20.097 9.798 1.00 0.00 C ATOM 683 O GLU A 47 24.924 20.668 8.818 1.00 0.00 O ATOM 684 CB GLU A 47 27.850 19.644 10.081 1.00 0.00 C ATOM 685 CG GLU A 47 29.202 20.135 10.573 1.00 0.00 C ATOM 686 CD GLU A 47 30.309 19.122 10.368 1.00 0.00 C ATOM 687 OE1 GLU A 47 30.705 18.887 9.210 1.00 0.00 O ATOM 688 OE2 GLU A 47 30.810 18.576 11.370 1.00 0.00 O ATOM 0 H GLU A 47 27.214 20.113 12.401 1.00 0.00 H new ATOM 0 HA GLU A 47 26.917 21.580 10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 47 27.648 18.664 10.513 1.00 0.00 H new ATOM 0 HB3 GLU A 47 27.890 19.513 9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 47 29.459 21.057 10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 47 29.131 20.378 11.633 1.00 0.00 H new ATOM 695 N ALA A 48 24.829 19.044 10.373 1.00 0.00 N ATOM 696 CA ALA A 48 23.565 18.500 9.891 1.00 0.00 C ATOM 697 C ALA A 48 22.442 19.522 10.048 1.00 0.00 C ATOM 698 O ALA A 48 21.651 19.736 9.130 1.00 0.00 O ATOM 699 CB ALA A 48 23.224 17.215 10.632 1.00 0.00 C ATOM 0 H ALA A 48 25.222 18.550 11.174 1.00 0.00 H new ATOM 0 HA ALA A 48 23.672 18.271 8.831 1.00 0.00 H new ATOM 0 HB1 ALA A 48 22.278 16.821 10.261 1.00 0.00 H new ATOM 0 HB2 ALA A 48 24.012 16.480 10.468 1.00 0.00 H new ATOM 0 HB3 ALA A 48 23.137 17.422 11.699 1.00 0.00 H new ATOM 705 N GLU A 49 22.394 20.159 11.212 1.00 0.00 N ATOM 706 CA GLU A 49 21.408 21.202 11.486 1.00 0.00 C ATOM 707 C GLU A 49 21.528 22.325 10.456 1.00 0.00 C ATOM 708 O GLU A 49 20.530 22.817 9.927 1.00 0.00 O ATOM 709 CB GLU A 49 21.625 21.745 12.903 1.00 0.00 C ATOM 710 CG GLU A 49 20.637 22.820 13.323 1.00 0.00 C ATOM 711 CD GLU A 49 20.902 23.319 14.729 1.00 0.00 C ATOM 712 OE1 GLU A 49 21.807 24.167 14.902 1.00 0.00 O ATOM 713 OE2 GLU A 49 20.217 22.862 15.668 1.00 0.00 O ATOM 0 H GLU A 49 23.030 19.971 11.987 1.00 0.00 H new ATOM 0 HA GLU A 49 20.405 20.781 11.415 1.00 0.00 H new ATOM 0 HB2 GLU A 49 21.564 20.917 13.609 1.00 0.00 H new ATOM 0 HB3 GLU A 49 22.635 22.150 12.973 1.00 0.00 H new ATOM 0 HG2 GLU A 49 20.693 23.656 12.626 1.00 0.00 H new ATOM 0 HG3 GLU A 49 19.623 22.423 13.264 1.00 0.00 H new ATOM 720 N LYS A 50 22.769 22.692 10.163 1.00 0.00 N ATOM 721 CA LYS A 50 23.080 23.738 9.197 1.00 0.00 C ATOM 722 C LYS A 50 22.746 23.293 7.770 1.00 0.00 C ATOM 723 O LYS A 50 22.435 24.115 6.909 1.00 0.00 O ATOM 724 CB LYS A 50 24.563 24.098 9.328 1.00 0.00 C ATOM 725 CG LYS A 50 25.089 25.055 8.274 1.00 0.00 C ATOM 726 CD LYS A 50 26.535 25.425 8.563 1.00 0.00 C ATOM 727 CE LYS A 50 27.188 26.120 7.384 1.00 0.00 C ATOM 728 NZ LYS A 50 27.349 25.203 6.222 1.00 0.00 N ATOM 0 H LYS A 50 23.593 22.270 10.591 1.00 0.00 H new ATOM 0 HA LYS A 50 22.470 24.617 9.405 1.00 0.00 H new ATOM 0 HB2 LYS A 50 24.728 24.538 10.311 1.00 0.00 H new ATOM 0 HB3 LYS A 50 25.149 23.180 9.287 1.00 0.00 H new ATOM 0 HG2 LYS A 50 25.015 24.596 7.288 1.00 0.00 H new ATOM 0 HG3 LYS A 50 24.475 25.955 8.253 1.00 0.00 H new ATOM 0 HD2 LYS A 50 26.575 26.076 9.436 1.00 0.00 H new ATOM 0 HD3 LYS A 50 27.097 24.525 8.811 1.00 0.00 H new ATOM 0 HE2 LYS A 50 26.585 26.979 7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.164 26.503 7.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 28.052 25.597 5.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 27.671 24.272 6.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 26.437 25.099 5.733 1.00 0.00 H new ATOM 742 N ALA A 51 22.795 21.988 7.531 1.00 0.00 N ATOM 743 CA ALA A 51 22.494 21.436 6.217 1.00 0.00 C ATOM 744 C ALA A 51 20.986 21.326 5.999 1.00 0.00 C ATOM 745 O ALA A 51 20.526 21.073 4.885 1.00 0.00 O ATOM 746 CB ALA A 51 23.154 20.075 6.049 1.00 0.00 C ATOM 0 H ALA A 51 23.041 21.291 8.233 1.00 0.00 H new ATOM 0 HA ALA A 51 22.896 22.116 5.466 1.00 0.00 H new ATOM 0 HB1 ALA A 51 22.919 19.676 5.062 1.00 0.00 H new ATOM 0 HB2 ALA A 51 24.234 20.179 6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 51 22.782 19.393 6.814 1.00 0.00 H new ATOM 752 N GLY A 52 20.223 21.515 7.067 1.00 0.00 N ATOM 753 CA GLY A 52 18.778 21.467 6.963 1.00 0.00 C ATOM 754 C GLY A 52 18.202 20.161 7.466 1.00 0.00 C ATOM 755 O GLY A 52 17.018 19.880 7.276 1.00 0.00 O ATOM 0 H GLY A 52 20.579 21.701 8.005 1.00 0.00 H new ATOM 0 HA2 GLY A 52 18.349 22.292 7.531 1.00 0.00 H new ATOM 0 HA3 GLY A 52 18.487 21.611 5.922 1.00 0.00 H new ATOM 759 N VAL A 53 19.039 19.361 8.108 1.00 0.00 N ATOM 760 CA VAL A 53 18.609 18.081 8.644 1.00 0.00 C ATOM 761 C VAL A 53 17.777 18.277 9.904 1.00 0.00 C ATOM 762 O VAL A 53 18.272 18.775 10.915 1.00 0.00 O ATOM 763 CB VAL A 53 19.816 17.169 8.955 1.00 0.00 C ATOM 764 CG1 VAL A 53 19.365 15.857 9.579 1.00 0.00 C ATOM 765 CG2 VAL A 53 20.621 16.912 7.692 1.00 0.00 C ATOM 0 H VAL A 53 20.023 19.577 8.270 1.00 0.00 H new ATOM 0 HA VAL A 53 17.997 17.597 7.883 1.00 0.00 H new ATOM 0 HB VAL A 53 20.452 17.681 9.677 1.00 0.00 H new ATOM 0 HG11 VAL A 53 20.236 15.235 9.787 1.00 0.00 H new ATOM 0 HG12 VAL A 53 18.833 16.060 10.509 1.00 0.00 H new ATOM 0 HG13 VAL A 53 18.703 15.335 8.889 1.00 0.00 H new ATOM 0 HG21 VAL A 53 21.469 16.268 7.926 1.00 0.00 H new ATOM 0 HG22 VAL A 53 19.988 16.424 6.950 1.00 0.00 H new ATOM 0 HG23 VAL A 53 20.984 17.859 7.293 1.00 0.00 H new ATOM 775 N LYS A 54 16.507 17.914 9.819 1.00 0.00 N ATOM 776 CA LYS A 54 15.606 17.990 10.957 1.00 0.00 C ATOM 777 C LYS A 54 15.467 16.616 11.598 1.00 0.00 C ATOM 778 O LYS A 54 15.145 16.493 12.779 1.00 0.00 O ATOM 779 CB LYS A 54 14.224 18.488 10.521 1.00 0.00 C ATOM 780 CG LYS A 54 14.246 19.793 9.743 1.00 0.00 C ATOM 781 CD LYS A 54 12.839 20.234 9.377 1.00 0.00 C ATOM 782 CE LYS A 54 12.846 21.467 8.489 1.00 0.00 C ATOM 783 NZ LYS A 54 11.468 21.927 8.171 1.00 0.00 N ATOM 0 H LYS A 54 16.074 17.561 8.965 1.00 0.00 H new ATOM 0 HA LYS A 54 16.023 18.693 11.678 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.751 17.721 9.908 1.00 0.00 H new ATOM 0 HB3 LYS A 54 13.601 18.617 11.406 1.00 0.00 H new ATOM 0 HG2 LYS A 54 14.730 20.567 10.339 1.00 0.00 H new ATOM 0 HG3 LYS A 54 14.839 19.670 8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 54 12.325 19.421 8.865 1.00 0.00 H new ATOM 0 HD3 LYS A 54 12.276 20.444 10.286 1.00 0.00 H new ATOM 0 HE2 LYS A 54 13.391 22.269 8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.378 21.245 7.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.515 22.770 7.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.955 21.170 7.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.969 22.163 9.052 1.00 0.00 H new ATOM 797 N SER A 55 15.696 15.580 10.803 1.00 0.00 N ATOM 798 CA SER A 55 15.574 14.208 11.267 1.00 0.00 C ATOM 799 C SER A 55 16.441 13.284 10.421 1.00 0.00 C ATOM 800 O SER A 55 16.951 13.686 9.377 1.00 0.00 O ATOM 801 CB SER A 55 14.111 13.759 11.201 1.00 0.00 C ATOM 802 OG SER A 55 13.286 14.609 11.979 1.00 0.00 O ATOM 0 H SER A 55 15.970 15.667 9.824 1.00 0.00 H new ATOM 0 HA SER A 55 15.914 14.158 12.301 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.771 13.764 10.165 1.00 0.00 H new ATOM 0 HB3 SER A 55 14.025 12.733 11.560 1.00 0.00 H new ATOM 0 HG SER A 55 12.440 14.155 12.174 1.00 0.00 H new ATOM 808 N VAL A 56 16.614 12.054 10.879 1.00 0.00 N ATOM 809 CA VAL A 56 17.373 11.061 10.138 1.00 0.00 C ATOM 810 C VAL A 56 16.480 9.888 9.743 1.00 0.00 C ATOM 811 O VAL A 56 15.552 9.528 10.477 1.00 0.00 O ATOM 812 CB VAL A 56 18.588 10.542 10.942 1.00 0.00 C ATOM 813 CG1 VAL A 56 19.580 11.667 11.199 1.00 0.00 C ATOM 814 CG2 VAL A 56 18.145 9.911 12.255 1.00 0.00 C ATOM 0 H VAL A 56 16.236 11.719 11.765 1.00 0.00 H new ATOM 0 HA VAL A 56 17.748 11.551 9.240 1.00 0.00 H new ATOM 0 HB VAL A 56 19.082 9.774 10.347 1.00 0.00 H new ATOM 0 HG11 VAL A 56 20.428 11.282 11.766 1.00 0.00 H new ATOM 0 HG12 VAL A 56 19.931 12.067 10.248 1.00 0.00 H new ATOM 0 HG13 VAL A 56 19.093 12.459 11.768 1.00 0.00 H new ATOM 0 HG21 VAL A 56 19.019 9.554 12.800 1.00 0.00 H new ATOM 0 HG22 VAL A 56 17.620 10.653 12.856 1.00 0.00 H new ATOM 0 HG23 VAL A 56 17.479 9.073 12.049 1.00 0.00 H new ATOM 824 N PRO A 57 16.740 9.283 8.575 1.00 0.00 N ATOM 825 CA PRO A 57 17.818 9.704 7.684 1.00 0.00 C ATOM 826 C PRO A 57 17.418 10.866 6.773 1.00 0.00 C ATOM 827 O PRO A 57 16.264 10.980 6.352 1.00 0.00 O ATOM 828 CB PRO A 57 18.091 8.447 6.866 1.00 0.00 C ATOM 829 CG PRO A 57 16.781 7.735 6.804 1.00 0.00 C ATOM 830 CD PRO A 57 15.997 8.133 8.032 1.00 0.00 C ATOM 0 HA PRO A 57 18.682 10.076 8.234 1.00 0.00 H new ATOM 0 HB2 PRO A 57 18.453 8.696 5.868 1.00 0.00 H new ATOM 0 HB3 PRO A 57 18.855 7.828 7.337 1.00 0.00 H new ATOM 0 HG2 PRO A 57 16.239 8.005 5.898 1.00 0.00 H new ATOM 0 HG3 PRO A 57 16.931 6.656 6.776 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.972 8.404 7.780 1.00 0.00 H new ATOM 0 HD3 PRO A 57 15.943 7.317 8.753 1.00 0.00 H new ATOM 838 N ALA A 58 18.381 11.724 6.474 1.00 0.00 N ATOM 839 CA ALA A 58 18.145 12.875 5.617 1.00 0.00 C ATOM 840 C ALA A 58 19.143 12.901 4.471 1.00 0.00 C ATOM 841 O ALA A 58 20.351 12.781 4.682 1.00 0.00 O ATOM 842 CB ALA A 58 18.231 14.163 6.420 1.00 0.00 C ATOM 0 H ALA A 58 19.339 11.644 6.815 1.00 0.00 H new ATOM 0 HA ALA A 58 17.141 12.791 5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 58 18.052 15.014 5.763 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.480 14.150 7.210 1.00 0.00 H new ATOM 0 HB3 ALA A 58 19.223 14.250 6.864 1.00 0.00 H new ATOM 848 N LEU A 59 18.630 13.050 3.262 1.00 0.00 N ATOM 849 CA LEU A 59 19.462 13.105 2.075 1.00 0.00 C ATOM 850 C LEU A 59 19.600 14.547 1.596 1.00 0.00 C ATOM 851 O LEU A 59 18.678 15.109 1.005 1.00 0.00 O ATOM 852 CB LEU A 59 18.859 12.228 0.974 1.00 0.00 C ATOM 853 CG LEU A 59 19.660 12.149 -0.327 1.00 0.00 C ATOM 854 CD1 LEU A 59 21.027 11.528 -0.086 1.00 0.00 C ATOM 855 CD2 LEU A 59 18.887 11.355 -1.367 1.00 0.00 C ATOM 0 H LEU A 59 17.631 13.136 3.077 1.00 0.00 H new ATOM 0 HA LEU A 59 20.455 12.726 2.318 1.00 0.00 H new ATOM 0 HB2 LEU A 59 18.737 11.218 1.366 1.00 0.00 H new ATOM 0 HB3 LEU A 59 17.862 12.602 0.743 1.00 0.00 H new ATOM 0 HG LEU A 59 19.813 13.161 -0.701 1.00 0.00 H new ATOM 0 HD11 LEU A 59 21.577 11.483 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 59 21.581 12.135 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 59 20.904 10.520 0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 59 19.465 11.304 -2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 59 18.708 10.346 -0.995 1.00 0.00 H new ATOM 0 HD23 LEU A 59 17.933 11.844 -1.563 1.00 0.00 H new ATOM 867 N VAL A 60 20.744 15.146 1.875 1.00 0.00 N ATOM 868 CA VAL A 60 21.010 16.517 1.472 1.00 0.00 C ATOM 869 C VAL A 60 21.556 16.542 0.051 1.00 0.00 C ATOM 870 O VAL A 60 22.747 16.325 -0.179 1.00 0.00 O ATOM 871 CB VAL A 60 22.007 17.209 2.427 1.00 0.00 C ATOM 872 CG1 VAL A 60 22.229 18.661 2.026 1.00 0.00 C ATOM 873 CG2 VAL A 60 21.519 17.122 3.865 1.00 0.00 C ATOM 0 H VAL A 60 21.509 14.702 2.383 1.00 0.00 H new ATOM 0 HA VAL A 60 20.069 17.065 1.515 1.00 0.00 H new ATOM 0 HB VAL A 60 22.961 16.688 2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 60 22.935 19.125 2.715 1.00 0.00 H new ATOM 0 HG12 VAL A 60 22.630 18.702 1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 60 21.281 19.198 2.062 1.00 0.00 H new ATOM 0 HG21 VAL A 60 22.235 17.615 4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 60 20.550 17.613 3.951 1.00 0.00 H new ATOM 0 HG23 VAL A 60 21.422 16.075 4.154 1.00 0.00 H new ATOM 883 N ILE A 61 20.672 16.793 -0.897 1.00 0.00 N ATOM 884 CA ILE A 61 21.027 16.777 -2.303 1.00 0.00 C ATOM 885 C ILE A 61 21.467 18.159 -2.766 1.00 0.00 C ATOM 886 O ILE A 61 20.637 19.048 -2.980 1.00 0.00 O ATOM 887 CB ILE A 61 19.845 16.292 -3.171 1.00 0.00 C ATOM 888 CG1 ILE A 61 19.418 14.888 -2.738 1.00 0.00 C ATOM 889 CG2 ILE A 61 20.222 16.307 -4.645 1.00 0.00 C ATOM 890 CD1 ILE A 61 18.227 14.351 -3.500 1.00 0.00 C ATOM 0 H ILE A 61 19.693 17.013 -0.715 1.00 0.00 H new ATOM 0 HA ILE A 61 21.857 16.081 -2.422 1.00 0.00 H new ATOM 0 HB ILE A 61 19.005 16.972 -3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.258 14.206 -2.868 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.181 14.902 -1.674 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.377 15.962 -5.240 1.00 0.00 H new ATOM 0 HG22 ILE A 61 20.486 17.322 -4.943 1.00 0.00 H new ATOM 0 HG23 ILE A 61 21.074 15.648 -4.809 1.00 0.00 H new ATOM 0 HD11 ILE A 61 17.983 13.352 -3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 61 17.372 15.010 -3.350 1.00 0.00 H new ATOM 0 HD13 ILE A 61 18.466 14.303 -4.562 1.00 0.00 H new ATOM 902 N ASP A 62 22.783 18.341 -2.862 1.00 0.00 N ATOM 903 CA ASP A 62 23.385 19.564 -3.403 1.00 0.00 C ATOM 904 C ASP A 62 23.019 20.790 -2.557 1.00 0.00 C ATOM 905 O ASP A 62 23.180 21.933 -2.985 1.00 0.00 O ATOM 906 CB ASP A 62 22.957 19.750 -4.868 1.00 0.00 C ATOM 907 CG ASP A 62 23.779 20.788 -5.610 1.00 0.00 C ATOM 908 OD1 ASP A 62 25.019 20.644 -5.674 1.00 0.00 O ATOM 909 OD2 ASP A 62 23.184 21.748 -6.147 1.00 0.00 O ATOM 0 H ASP A 62 23.466 17.644 -2.566 1.00 0.00 H new ATOM 0 HA ASP A 62 24.470 19.463 -3.365 1.00 0.00 H new ATOM 0 HB2 ASP A 62 23.038 18.795 -5.386 1.00 0.00 H new ATOM 0 HB3 ASP A 62 21.907 20.040 -4.898 1.00 0.00 H new ATOM 914 N GLY A 63 22.541 20.549 -1.344 1.00 0.00 N ATOM 915 CA GLY A 63 22.191 21.638 -0.456 1.00 0.00 C ATOM 916 C GLY A 63 20.760 21.558 0.033 1.00 0.00 C ATOM 917 O GLY A 63 20.420 22.137 1.063 1.00 0.00 O ATOM 0 H GLY A 63 22.389 19.617 -0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 63 22.864 21.633 0.401 1.00 0.00 H new ATOM 0 HA3 GLY A 63 22.341 22.586 -0.973 1.00 0.00 H new ATOM 921 N ALA A 64 19.917 20.842 -0.701 1.00 0.00 N ATOM 922 CA ALA A 64 18.519 20.690 -0.321 1.00 0.00 C ATOM 923 C ALA A 64 18.316 19.404 0.472 1.00 0.00 C ATOM 924 O ALA A 64 18.650 18.319 0.002 1.00 0.00 O ATOM 925 CB ALA A 64 17.632 20.705 -1.555 1.00 0.00 C ATOM 0 H ALA A 64 20.177 20.359 -1.561 1.00 0.00 H new ATOM 0 HA ALA A 64 18.239 21.530 0.315 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.590 20.590 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.756 21.652 -2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 64 17.912 19.884 -2.215 1.00 0.00 H new ATOM 931 N ALA A 65 17.769 19.529 1.669 1.00 0.00 N ATOM 932 CA ALA A 65 17.603 18.386 2.557 1.00 0.00 C ATOM 933 C ALA A 65 16.302 17.645 2.274 1.00 0.00 C ATOM 934 O ALA A 65 15.211 18.203 2.408 1.00 0.00 O ATOM 935 CB ALA A 65 17.651 18.838 4.007 1.00 0.00 C ATOM 0 H ALA A 65 17.431 20.412 2.051 1.00 0.00 H new ATOM 0 HA ALA A 65 18.425 17.695 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 65 17.526 17.975 4.661 1.00 0.00 H new ATOM 0 HB2 ALA A 65 18.612 19.310 4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 65 16.849 19.553 4.192 1.00 0.00 H new ATOM 941 N PHE A 66 16.423 16.393 1.863 1.00 0.00 N ATOM 942 CA PHE A 66 15.268 15.542 1.640 1.00 0.00 C ATOM 943 C PHE A 66 15.280 14.370 2.610 1.00 0.00 C ATOM 944 O PHE A 66 16.068 13.438 2.464 1.00 0.00 O ATOM 945 CB PHE A 66 15.238 15.028 0.198 1.00 0.00 C ATOM 946 CG PHE A 66 15.013 16.109 -0.819 1.00 0.00 C ATOM 947 CD1 PHE A 66 13.727 16.476 -1.183 1.00 0.00 C ATOM 948 CD2 PHE A 66 16.083 16.762 -1.405 1.00 0.00 C ATOM 949 CE1 PHE A 66 13.515 17.473 -2.115 1.00 0.00 C ATOM 950 CE2 PHE A 66 15.877 17.760 -2.336 1.00 0.00 C ATOM 951 CZ PHE A 66 14.592 18.116 -2.692 1.00 0.00 C ATOM 0 H PHE A 66 17.318 15.942 1.676 1.00 0.00 H new ATOM 0 HA PHE A 66 14.371 16.137 1.812 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.181 14.526 -0.020 1.00 0.00 H new ATOM 0 HB3 PHE A 66 14.450 14.281 0.103 1.00 0.00 H new ATOM 0 HD1 PHE A 66 12.882 15.977 -0.733 1.00 0.00 H new ATOM 0 HD2 PHE A 66 17.091 16.488 -1.131 1.00 0.00 H new ATOM 0 HE1 PHE A 66 12.508 17.749 -2.392 1.00 0.00 H new ATOM 0 HE2 PHE A 66 16.721 18.262 -2.786 1.00 0.00 H new ATOM 0 HZ PHE A 66 14.429 18.896 -3.421 1.00 0.00 H new ATOM 961 N HIS A 67 14.425 14.442 3.613 1.00 0.00 N ATOM 962 CA HIS A 67 14.298 13.374 4.593 1.00 0.00 C ATOM 963 C HIS A 67 13.626 12.170 3.954 1.00 0.00 C ATOM 964 O HIS A 67 12.781 12.328 3.069 1.00 0.00 O ATOM 965 CB HIS A 67 13.478 13.846 5.799 1.00 0.00 C ATOM 966 CG HIS A 67 14.055 15.041 6.493 1.00 0.00 C ATOM 967 ND1 HIS A 67 13.763 16.343 6.153 1.00 0.00 N ATOM 968 CD2 HIS A 67 14.925 15.114 7.528 1.00 0.00 C ATOM 969 CE1 HIS A 67 14.448 17.147 6.971 1.00 0.00 C ATOM 970 NE2 HIS A 67 15.169 16.451 7.827 1.00 0.00 N ATOM 0 H HIS A 67 13.803 15.234 3.773 1.00 0.00 H new ATOM 0 HA HIS A 67 15.294 13.095 4.937 1.00 0.00 H new ATOM 0 HB2 HIS A 67 12.467 14.083 5.468 1.00 0.00 H new ATOM 0 HB3 HIS A 67 13.396 13.027 6.514 1.00 0.00 H new ATOM 0 HD1 HIS A 67 13.134 16.641 5.407 1.00 0.00 H new ATOM 0 HD2 HIS A 67 15.360 14.269 8.040 1.00 0.00 H new ATOM 0 HE1 HIS A 67 14.415 18.226 6.935 1.00 0.00 H new ATOM 978 N ILE A 68 14.015 10.977 4.385 1.00 0.00 N ATOM 979 CA ILE A 68 13.436 9.747 3.863 1.00 0.00 C ATOM 980 C ILE A 68 13.052 8.821 5.010 1.00 0.00 C ATOM 981 O ILE A 68 13.915 8.205 5.631 1.00 0.00 O ATOM 982 CB ILE A 68 14.410 9.011 2.915 1.00 0.00 C ATOM 983 CG1 ILE A 68 14.883 9.948 1.798 1.00 0.00 C ATOM 984 CG2 ILE A 68 13.738 7.777 2.323 1.00 0.00 C ATOM 985 CD1 ILE A 68 15.939 9.345 0.898 1.00 0.00 C ATOM 0 H ILE A 68 14.731 10.835 5.097 1.00 0.00 H new ATOM 0 HA ILE A 68 12.548 10.021 3.293 1.00 0.00 H new ATOM 0 HB ILE A 68 15.280 8.694 3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 68 14.025 10.237 1.192 1.00 0.00 H new ATOM 0 HG13 ILE A 68 15.278 10.860 2.245 1.00 0.00 H new ATOM 0 HG21 ILE A 68 14.435 7.268 1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 68 13.445 7.102 3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 68 12.854 8.078 1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 68 16.222 10.069 0.133 1.00 0.00 H new ATOM 0 HD12 ILE A 68 16.815 9.082 1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 68 15.542 8.449 0.421 1.00 0.00 H new ATOM 997 N ASN A 69 11.750 8.737 5.273 1.00 0.00 N ATOM 998 CA ASN A 69 11.202 7.950 6.379 1.00 0.00 C ATOM 999 C ASN A 69 11.620 8.532 7.727 1.00 0.00 C ATOM 1000 O ASN A 69 12.768 8.409 8.148 1.00 0.00 O ATOM 1001 CB ASN A 69 11.612 6.474 6.282 1.00 0.00 C ATOM 1002 CG ASN A 69 10.900 5.736 5.162 1.00 0.00 C ATOM 1003 OD1 ASN A 69 9.760 6.051 4.815 1.00 0.00 O ATOM 1004 ND2 ASN A 69 11.566 4.744 4.592 1.00 0.00 N ATOM 0 H ASN A 69 11.039 9.216 4.721 1.00 0.00 H new ATOM 0 HA ASN A 69 10.116 8.001 6.303 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.689 6.411 6.125 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.398 5.980 7.230 1.00 0.00 H new ATOM 0 HD21 ASN A 69 11.137 4.209 3.837 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.508 4.514 4.908 1.00 0.00 H new ATOM 1011 N PHE A 70 10.668 9.170 8.398 1.00 0.00 N ATOM 1012 CA PHE A 70 10.926 9.814 9.680 1.00 0.00 C ATOM 1013 C PHE A 70 11.271 8.775 10.744 1.00 0.00 C ATOM 1014 O PHE A 70 10.387 8.111 11.287 1.00 0.00 O ATOM 1015 CB PHE A 70 9.695 10.625 10.109 1.00 0.00 C ATOM 1016 CG PHE A 70 9.938 11.575 11.254 1.00 0.00 C ATOM 1017 CD1 PHE A 70 10.025 11.113 12.559 1.00 0.00 C ATOM 1018 CD2 PHE A 70 10.069 12.934 11.022 1.00 0.00 C ATOM 1019 CE1 PHE A 70 10.238 11.989 13.607 1.00 0.00 C ATOM 1020 CE2 PHE A 70 10.282 13.814 12.065 1.00 0.00 C ATOM 1021 CZ PHE A 70 10.367 13.340 13.360 1.00 0.00 C ATOM 0 H PHE A 70 9.705 9.255 8.073 1.00 0.00 H new ATOM 0 HA PHE A 70 11.777 10.486 9.570 1.00 0.00 H new ATOM 0 HB2 PHE A 70 9.334 11.194 9.252 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.900 9.934 10.390 1.00 0.00 H new ATOM 0 HD1 PHE A 70 9.925 10.056 12.759 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.004 13.311 10.012 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.303 11.616 14.618 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.382 14.871 11.869 1.00 0.00 H new ATOM 0 HZ PHE A 70 10.534 14.026 14.177 1.00 0.00 H new ATOM 1031 N GLY A 71 12.559 8.623 11.017 1.00 0.00 N ATOM 1032 CA GLY A 71 12.993 7.695 12.038 1.00 0.00 C ATOM 1033 C GLY A 71 13.196 8.380 13.372 1.00 0.00 C ATOM 1034 O GLY A 71 12.464 8.124 14.329 1.00 0.00 O ATOM 0 H GLY A 71 13.311 9.127 10.548 1.00 0.00 H new ATOM 0 HA2 GLY A 71 12.253 6.902 12.146 1.00 0.00 H new ATOM 0 HA3 GLY A 71 13.925 7.222 11.727 1.00 0.00 H new ATOM 1038 N ALA A 72 14.188 9.256 13.433 1.00 0.00 N ATOM 1039 CA ALA A 72 14.481 9.999 14.650 1.00 0.00 C ATOM 1040 C ALA A 72 14.828 11.442 14.312 1.00 0.00 C ATOM 1041 O ALA A 72 15.485 11.703 13.305 1.00 0.00 O ATOM 1042 CB ALA A 72 15.622 9.342 15.413 1.00 0.00 C ATOM 0 H ALA A 72 14.806 9.470 12.650 1.00 0.00 H new ATOM 0 HA ALA A 72 13.595 9.992 15.285 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.828 9.910 16.320 1.00 0.00 H new ATOM 0 HB2 ALA A 72 15.342 8.323 15.679 1.00 0.00 H new ATOM 0 HB3 ALA A 72 16.514 9.322 14.787 1.00 0.00 H new ATOM 1048 N GLY A 73 14.386 12.374 15.143 1.00 0.00 N ATOM 1049 CA GLY A 73 14.649 13.777 14.887 1.00 0.00 C ATOM 1050 C GLY A 73 16.015 14.203 15.383 1.00 0.00 C ATOM 1051 O GLY A 73 16.554 13.607 16.317 1.00 0.00 O ATOM 0 H GLY A 73 13.850 12.185 15.990 1.00 0.00 H new ATOM 0 HA2 GLY A 73 14.577 13.969 13.816 1.00 0.00 H new ATOM 0 HA3 GLY A 73 13.883 14.383 15.372 1.00 0.00 H new ATOM 1055 N ILE A 74 16.577 15.239 14.767 1.00 0.00 N ATOM 1056 CA ILE A 74 17.870 15.760 15.187 1.00 0.00 C ATOM 1057 C ILE A 74 17.737 16.401 16.563 1.00 0.00 C ATOM 1058 O ILE A 74 18.692 16.461 17.332 1.00 0.00 O ATOM 1059 CB ILE A 74 18.447 16.786 14.177 1.00 0.00 C ATOM 1060 CG1 ILE A 74 19.901 17.121 14.528 1.00 0.00 C ATOM 1061 CG2 ILE A 74 17.601 18.055 14.146 1.00 0.00 C ATOM 1062 CD1 ILE A 74 20.570 18.059 13.545 1.00 0.00 C ATOM 0 H ILE A 74 16.158 15.731 13.978 1.00 0.00 H new ATOM 0 HA ILE A 74 18.567 14.923 15.229 1.00 0.00 H new ATOM 0 HB ILE A 74 18.422 16.337 13.184 1.00 0.00 H new ATOM 0 HG12 ILE A 74 19.930 17.570 15.521 1.00 0.00 H new ATOM 0 HG13 ILE A 74 20.474 16.195 14.580 1.00 0.00 H new ATOM 0 HG21 ILE A 74 18.026 18.758 13.430 1.00 0.00 H new ATOM 0 HG22 ILE A 74 16.582 17.806 13.849 1.00 0.00 H new ATOM 0 HG23 ILE A 74 17.589 18.509 15.137 1.00 0.00 H new ATOM 0 HD11 ILE A 74 21.596 18.248 13.862 1.00 0.00 H new ATOM 0 HD12 ILE A 74 20.574 17.605 12.554 1.00 0.00 H new ATOM 0 HD13 ILE A 74 20.022 19.001 13.510 1.00 0.00 H new ATOM 1074 N ASP A 75 16.525 16.853 16.863 1.00 0.00 N ATOM 1075 CA ASP A 75 16.194 17.408 18.168 1.00 0.00 C ATOM 1076 C ASP A 75 16.496 16.404 19.273 1.00 0.00 C ATOM 1077 O ASP A 75 17.067 16.751 20.305 1.00 0.00 O ATOM 1078 CB ASP A 75 14.712 17.782 18.218 1.00 0.00 C ATOM 1079 CG ASP A 75 14.367 18.981 17.359 1.00 0.00 C ATOM 1080 OD1 ASP A 75 14.507 18.900 16.119 1.00 0.00 O ATOM 1081 OD2 ASP A 75 13.935 20.006 17.920 1.00 0.00 O ATOM 0 H ASP A 75 15.744 16.845 16.207 1.00 0.00 H new ATOM 0 HA ASP A 75 16.803 18.299 18.323 1.00 0.00 H new ATOM 0 HB2 ASP A 75 14.118 16.928 17.893 1.00 0.00 H new ATOM 0 HB3 ASP A 75 14.432 17.991 19.250 1.00 0.00 H new ATOM 1086 N ASP A 76 16.123 15.153 19.034 1.00 0.00 N ATOM 1087 CA ASP A 76 16.311 14.089 20.013 1.00 0.00 C ATOM 1088 C ASP A 76 17.783 13.713 20.132 1.00 0.00 C ATOM 1089 O ASP A 76 18.248 13.317 21.198 1.00 0.00 O ATOM 1090 CB ASP A 76 15.485 12.858 19.627 1.00 0.00 C ATOM 1091 CG ASP A 76 13.995 13.145 19.579 1.00 0.00 C ATOM 1092 OD1 ASP A 76 13.508 13.618 18.528 1.00 0.00 O ATOM 1093 OD2 ASP A 76 13.300 12.894 20.588 1.00 0.00 O ATOM 0 H ASP A 76 15.685 14.849 18.164 1.00 0.00 H new ATOM 0 HA ASP A 76 15.970 14.456 20.981 1.00 0.00 H new ATOM 0 HB2 ASP A 76 15.813 12.496 18.652 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.674 12.059 20.344 1.00 0.00 H new ATOM 1098 N LEU A 77 18.511 13.848 19.031 1.00 0.00 N ATOM 1099 CA LEU A 77 19.940 13.540 19.008 1.00 0.00 C ATOM 1100 C LEU A 77 20.742 14.668 19.653 1.00 0.00 C ATOM 1101 O LEU A 77 21.757 14.437 20.314 1.00 0.00 O ATOM 1102 CB LEU A 77 20.410 13.330 17.566 1.00 0.00 C ATOM 1103 CG LEU A 77 19.703 12.205 16.806 1.00 0.00 C ATOM 1104 CD1 LEU A 77 20.180 12.156 15.364 1.00 0.00 C ATOM 1105 CD2 LEU A 77 19.942 10.870 17.494 1.00 0.00 C ATOM 0 H LEU A 77 18.136 14.170 18.138 1.00 0.00 H new ATOM 0 HA LEU A 77 20.104 12.624 19.576 1.00 0.00 H new ATOM 0 HB2 LEU A 77 20.271 14.261 17.016 1.00 0.00 H new ATOM 0 HB3 LEU A 77 21.480 13.123 17.576 1.00 0.00 H new ATOM 0 HG LEU A 77 18.632 12.406 16.806 1.00 0.00 H new ATOM 0 HD11 LEU A 77 19.667 11.351 14.838 1.00 0.00 H new ATOM 0 HD12 LEU A 77 19.961 13.105 14.876 1.00 0.00 H new ATOM 0 HD13 LEU A 77 21.255 11.977 15.342 1.00 0.00 H new ATOM 0 HD21 LEU A 77 19.433 10.080 16.942 1.00 0.00 H new ATOM 0 HD22 LEU A 77 21.012 10.662 17.523 1.00 0.00 H new ATOM 0 HD23 LEU A 77 19.553 10.910 18.511 1.00 0.00 H new ATOM 1117 N LYS A 78 20.275 15.889 19.446 1.00 0.00 N ATOM 1118 CA LYS A 78 20.925 17.072 19.987 1.00 0.00 C ATOM 1119 C LYS A 78 20.631 17.204 21.477 1.00 0.00 C ATOM 1120 O LYS A 78 21.512 17.546 22.269 1.00 0.00 O ATOM 1121 CB LYS A 78 20.435 18.313 19.235 1.00 0.00 C ATOM 1122 CG LYS A 78 21.195 19.587 19.559 1.00 0.00 C ATOM 1123 CD LYS A 78 20.638 20.763 18.773 1.00 0.00 C ATOM 1124 CE LYS A 78 21.471 22.017 18.968 1.00 0.00 C ATOM 1125 NZ LYS A 78 20.908 23.174 18.224 1.00 0.00 N ATOM 0 H LYS A 78 19.437 16.088 18.900 1.00 0.00 H new ATOM 0 HA LYS A 78 22.003 16.978 19.859 1.00 0.00 H new ATOM 0 HB2 LYS A 78 20.507 18.125 18.164 1.00 0.00 H new ATOM 0 HB3 LYS A 78 19.380 18.467 19.462 1.00 0.00 H new ATOM 0 HG2 LYS A 78 21.129 19.794 20.627 1.00 0.00 H new ATOM 0 HG3 LYS A 78 22.251 19.455 19.325 1.00 0.00 H new ATOM 0 HD2 LYS A 78 20.606 20.509 17.713 1.00 0.00 H new ATOM 0 HD3 LYS A 78 19.612 20.956 19.086 1.00 0.00 H new ATOM 0 HE2 LYS A 78 21.523 22.258 20.030 1.00 0.00 H new ATOM 0 HE3 LYS A 78 22.492 21.831 18.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 21.485 24.019 18.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 20.913 22.967 17.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 19.931 23.346 18.537 1.00 0.00 H new ATOM 1177 N ALA B 2 14.724 -2.605 -14.137 1.00 0.00 N ATOM 1178 CA ALA B 2 14.212 -1.299 -14.523 1.00 0.00 C ATOM 1179 C ALA B 2 12.743 -1.184 -14.147 1.00 0.00 C ATOM 1180 O ALA B 2 11.925 -0.680 -14.917 1.00 0.00 O ATOM 1181 CB ALA B 2 14.404 -1.082 -16.019 1.00 0.00 C ATOM 0 HA ALA B 2 14.767 -0.527 -13.990 1.00 0.00 H new ATOM 0 HB1 ALA B 2 14.017 -0.102 -16.297 1.00 0.00 H new ATOM 0 HB2 ALA B 2 15.465 -1.135 -16.261 1.00 0.00 H new ATOM 0 HB3 ALA B 2 13.867 -1.854 -16.570 1.00 0.00 H new ATOM 1187 N SER B 3 12.427 -1.647 -12.948 1.00 0.00 N ATOM 1188 CA SER B 3 11.060 -1.660 -12.453 1.00 0.00 C ATOM 1189 C SER B 3 10.508 -0.242 -12.314 1.00 0.00 C ATOM 1190 O SER B 3 11.256 0.738 -12.367 1.00 0.00 O ATOM 1191 CB SER B 3 11.016 -2.381 -11.111 1.00 0.00 C ATOM 1192 OG SER B 3 12.041 -1.903 -10.256 1.00 0.00 O ATOM 0 H SER B 3 13.110 -2.024 -12.291 1.00 0.00 H new ATOM 0 HA SER B 3 10.434 -2.188 -13.172 1.00 0.00 H new ATOM 0 HB2 SER B 3 10.044 -2.230 -10.642 1.00 0.00 H new ATOM 0 HB3 SER B 3 11.133 -3.454 -11.264 1.00 0.00 H new ATOM 0 HG SER B 3 12.186 -2.544 -9.529 1.00 0.00 H new ATOM 1198 N LYS B 4 9.202 -0.138 -12.131 1.00 0.00 N ATOM 1199 CA LYS B 4 8.559 1.158 -12.044 1.00 0.00 C ATOM 1200 C LYS B 4 8.576 1.689 -10.609 1.00 0.00 C ATOM 1201 O LYS B 4 8.093 1.042 -9.678 1.00 0.00 O ATOM 1202 CB LYS B 4 7.130 1.087 -12.598 1.00 0.00 C ATOM 1203 CG LYS B 4 6.188 0.184 -11.818 1.00 0.00 C ATOM 1204 CD LYS B 4 4.892 -0.040 -12.579 1.00 0.00 C ATOM 1205 CE LYS B 4 3.679 0.033 -11.666 1.00 0.00 C ATOM 1206 NZ LYS B 4 3.504 1.394 -11.096 1.00 0.00 N ATOM 0 H LYS B 4 8.570 -0.934 -12.040 1.00 0.00 H new ATOM 0 HA LYS B 4 9.124 1.861 -12.656 1.00 0.00 H new ATOM 0 HB2 LYS B 4 6.713 2.094 -12.618 1.00 0.00 H new ATOM 0 HB3 LYS B 4 7.172 0.739 -13.630 1.00 0.00 H new ATOM 0 HG2 LYS B 4 6.672 -0.774 -11.627 1.00 0.00 H new ATOM 0 HG3 LYS B 4 5.971 0.630 -10.848 1.00 0.00 H new ATOM 0 HD2 LYS B 4 4.799 0.708 -13.366 1.00 0.00 H new ATOM 0 HD3 LYS B 4 4.921 -1.014 -13.067 1.00 0.00 H new ATOM 0 HE2 LYS B 4 2.785 -0.246 -12.224 1.00 0.00 H new ATOM 0 HE3 LYS B 4 3.788 -0.690 -10.857 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 2.515 1.522 -10.800 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 4.129 1.509 -10.273 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 3.745 2.105 -11.815 1.00 0.00 H new ATOM 1220 N ALA B 5 9.168 2.860 -10.448 1.00 0.00 N ATOM 1221 CA ALA B 5 9.206 3.539 -9.167 1.00 0.00 C ATOM 1222 C ALA B 5 8.064 4.538 -9.097 1.00 0.00 C ATOM 1223 O ALA B 5 7.985 5.456 -9.913 1.00 0.00 O ATOM 1224 CB ALA B 5 10.545 4.236 -8.972 1.00 0.00 C ATOM 0 H ALA B 5 9.635 3.365 -11.201 1.00 0.00 H new ATOM 0 HA ALA B 5 9.091 2.808 -8.367 1.00 0.00 H new ATOM 0 HB1 ALA B 5 10.555 4.740 -8.006 1.00 0.00 H new ATOM 0 HB2 ALA B 5 11.347 3.499 -9.005 1.00 0.00 H new ATOM 0 HB3 ALA B 5 10.693 4.969 -9.765 1.00 0.00 H new ATOM 1230 N ILE B 6 7.183 4.357 -8.132 1.00 0.00 N ATOM 1231 CA ILE B 6 5.964 5.143 -8.066 1.00 0.00 C ATOM 1232 C ILE B 6 6.128 6.340 -7.140 1.00 0.00 C ATOM 1233 O ILE B 6 6.312 6.187 -5.933 1.00 0.00 O ATOM 1234 CB ILE B 6 4.775 4.294 -7.577 1.00 0.00 C ATOM 1235 CG1 ILE B 6 4.776 2.922 -8.259 1.00 0.00 C ATOM 1236 CG2 ILE B 6 3.473 5.023 -7.867 1.00 0.00 C ATOM 1237 CD1 ILE B 6 3.730 1.971 -7.709 1.00 0.00 C ATOM 0 H ILE B 6 7.288 3.673 -7.383 1.00 0.00 H new ATOM 0 HA ILE B 6 5.762 5.495 -9.078 1.00 0.00 H new ATOM 0 HB ILE B 6 4.870 4.142 -6.502 1.00 0.00 H new ATOM 0 HG12 ILE B 6 4.607 3.056 -9.327 1.00 0.00 H new ATOM 0 HG13 ILE B 6 5.761 2.470 -8.146 1.00 0.00 H new ATOM 0 HG21 ILE B 6 2.634 4.420 -7.520 1.00 0.00 H new ATOM 0 HG22 ILE B 6 3.470 5.982 -7.349 1.00 0.00 H new ATOM 0 HG23 ILE B 6 3.381 5.190 -8.940 1.00 0.00 H new ATOM 0 HD11 ILE B 6 3.789 1.020 -8.238 1.00 0.00 H new ATOM 0 HD12 ILE B 6 3.910 1.807 -6.647 1.00 0.00 H new ATOM 0 HD13 ILE B 6 2.738 2.402 -7.846 1.00 0.00 H new ATOM 1249 N PHE B 7 6.069 7.525 -7.714 1.00 0.00 N ATOM 1250 CA PHE B 7 6.152 8.753 -6.946 1.00 0.00 C ATOM 1251 C PHE B 7 4.746 9.245 -6.623 1.00 0.00 C ATOM 1252 O PHE B 7 4.088 9.860 -7.462 1.00 0.00 O ATOM 1253 CB PHE B 7 6.926 9.816 -7.735 1.00 0.00 C ATOM 1254 CG PHE B 7 7.223 11.069 -6.957 1.00 0.00 C ATOM 1255 CD1 PHE B 7 6.328 12.127 -6.945 1.00 0.00 C ATOM 1256 CD2 PHE B 7 8.403 11.190 -6.244 1.00 0.00 C ATOM 1257 CE1 PHE B 7 6.604 13.280 -6.236 1.00 0.00 C ATOM 1258 CE2 PHE B 7 8.686 12.341 -5.533 1.00 0.00 C ATOM 1259 CZ PHE B 7 7.783 13.387 -5.528 1.00 0.00 C ATOM 0 H PHE B 7 5.963 7.665 -8.719 1.00 0.00 H new ATOM 0 HA PHE B 7 6.684 8.563 -6.014 1.00 0.00 H new ATOM 0 HB2 PHE B 7 7.866 9.384 -8.079 1.00 0.00 H new ATOM 0 HB3 PHE B 7 6.353 10.081 -8.624 1.00 0.00 H new ATOM 0 HD1 PHE B 7 5.403 12.049 -7.497 1.00 0.00 H new ATOM 0 HD2 PHE B 7 9.112 10.375 -6.243 1.00 0.00 H new ATOM 0 HE1 PHE B 7 5.897 14.097 -6.236 1.00 0.00 H new ATOM 0 HE2 PHE B 7 9.611 12.423 -4.982 1.00 0.00 H new ATOM 0 HZ PHE B 7 8.000 14.286 -4.971 1.00 0.00 H new ATOM 1269 N TYR B 8 4.275 8.945 -5.424 1.00 0.00 N ATOM 1270 CA TYR B 8 2.944 9.358 -5.005 1.00 0.00 C ATOM 1271 C TYR B 8 2.984 10.773 -4.444 1.00 0.00 C ATOM 1272 O TYR B 8 3.661 11.037 -3.449 1.00 0.00 O ATOM 1273 CB TYR B 8 2.378 8.400 -3.951 1.00 0.00 C ATOM 1274 CG TYR B 8 1.924 7.057 -4.492 1.00 0.00 C ATOM 1275 CD1 TYR B 8 0.757 6.945 -5.239 1.00 0.00 C ATOM 1276 CD2 TYR B 8 2.646 5.900 -4.235 1.00 0.00 C ATOM 1277 CE1 TYR B 8 0.325 5.722 -5.716 1.00 0.00 C ATOM 1278 CE2 TYR B 8 2.217 4.672 -4.704 1.00 0.00 C ATOM 1279 CZ TYR B 8 1.057 4.589 -5.445 1.00 0.00 C ATOM 1280 OH TYR B 8 0.627 3.366 -5.905 1.00 0.00 O ATOM 0 H TYR B 8 4.794 8.417 -4.723 1.00 0.00 H new ATOM 0 HA TYR B 8 2.293 9.335 -5.879 1.00 0.00 H new ATOM 0 HB2 TYR B 8 3.138 8.231 -3.188 1.00 0.00 H new ATOM 0 HB3 TYR B 8 1.534 8.882 -3.458 1.00 0.00 H new ATOM 0 HD1 TYR B 8 0.177 7.831 -5.451 1.00 0.00 H new ATOM 0 HD2 TYR B 8 3.558 5.960 -3.659 1.00 0.00 H new ATOM 0 HE1 TYR B 8 -0.582 5.656 -6.298 1.00 0.00 H new ATOM 0 HE2 TYR B 8 2.789 3.781 -4.491 1.00 0.00 H new ATOM 0 HH TYR B 8 0.154 3.484 -6.755 1.00 0.00 H new ATOM 1290 N HIS B 9 2.267 11.684 -5.087 1.00 0.00 N ATOM 1291 CA HIS B 9 2.224 13.065 -4.632 1.00 0.00 C ATOM 1292 C HIS B 9 0.792 13.591 -4.652 1.00 0.00 C ATOM 1293 O HIS B 9 -0.144 12.848 -4.948 1.00 0.00 O ATOM 1294 CB HIS B 9 3.140 13.949 -5.490 1.00 0.00 C ATOM 1295 CG HIS B 9 2.625 14.251 -6.866 1.00 0.00 C ATOM 1296 ND1 HIS B 9 2.220 15.519 -7.209 1.00 0.00 N ATOM 1297 CD2 HIS B 9 2.489 13.439 -7.937 1.00 0.00 C ATOM 1298 CE1 HIS B 9 1.854 15.449 -8.476 1.00 0.00 C ATOM 1299 NE2 HIS B 9 1.999 14.208 -8.959 1.00 0.00 N ATOM 0 H HIS B 9 1.711 11.493 -5.920 1.00 0.00 H new ATOM 0 HA HIS B 9 2.587 13.098 -3.605 1.00 0.00 H new ATOM 0 HB2 HIS B 9 3.306 14.890 -4.966 1.00 0.00 H new ATOM 0 HB3 HIS B 9 4.110 13.460 -5.581 1.00 0.00 H new ATOM 0 HD2 HIS B 9 2.722 12.385 -7.979 1.00 0.00 H new ATOM 0 HE1 HIS B 9 1.485 16.286 -9.050 1.00 0.00 H new ATOM 0 HE2 HIS B 9 1.785 13.896 -9.906 1.00 0.00 H new ATOM 1307 N ALA B 10 0.625 14.869 -4.339 1.00 0.00 N ATOM 1308 CA ALA B 10 -0.700 15.470 -4.271 1.00 0.00 C ATOM 1309 C ALA B 10 -0.693 16.887 -4.838 1.00 0.00 C ATOM 1310 O ALA B 10 -1.570 17.694 -4.526 1.00 0.00 O ATOM 1311 CB ALA B 10 -1.196 15.474 -2.832 1.00 0.00 C ATOM 0 H ALA B 10 1.390 15.509 -4.128 1.00 0.00 H new ATOM 0 HA ALA B 10 -1.379 14.872 -4.879 1.00 0.00 H new ATOM 0 HB1 ALA B 10 -2.187 15.925 -2.790 1.00 0.00 H new ATOM 0 HB2 ALA B 10 -1.247 14.450 -2.462 1.00 0.00 H new ATOM 0 HB3 ALA B 10 -0.509 16.050 -2.212 1.00 0.00 H new ATOM 1317 N GLY B 11 0.286 17.179 -5.685 1.00 0.00 N ATOM 1318 CA GLY B 11 0.391 18.504 -6.267 1.00 0.00 C ATOM 1319 C GLY B 11 0.914 19.526 -5.276 1.00 0.00 C ATOM 1320 O GLY B 11 0.223 20.487 -4.937 1.00 0.00 O ATOM 0 H GLY B 11 1.009 16.523 -5.979 1.00 0.00 H new ATOM 0 HA2 GLY B 11 1.053 18.467 -7.132 1.00 0.00 H new ATOM 0 HA3 GLY B 11 -0.588 18.819 -6.628 1.00 0.00 H new ATOM 1324 N CYS B 12 2.130 19.312 -4.802 1.00 0.00 N ATOM 1325 CA CYS B 12 2.731 20.194 -3.813 1.00 0.00 C ATOM 1326 C CYS B 12 4.128 20.620 -4.264 1.00 0.00 C ATOM 1327 O CYS B 12 4.758 19.927 -5.063 1.00 0.00 O ATOM 1328 CB CYS B 12 2.811 19.476 -2.463 1.00 0.00 C ATOM 1329 SG CYS B 12 1.247 18.748 -1.918 1.00 0.00 S ATOM 0 H CYS B 12 2.723 18.532 -5.087 1.00 0.00 H new ATOM 0 HA CYS B 12 2.112 21.085 -3.709 1.00 0.00 H new ATOM 0 HB2 CYS B 12 3.563 18.689 -2.526 1.00 0.00 H new ATOM 0 HB3 CYS B 12 3.153 20.183 -1.707 1.00 0.00 H new ATOM 0 HG CYS B 12 1.418 18.163 -0.770 1.00 0.00 H new ATOM 1335 N PRO B 13 4.630 21.765 -3.763 1.00 0.00 N ATOM 1336 CA PRO B 13 5.983 22.245 -4.084 1.00 0.00 C ATOM 1337 C PRO B 13 7.048 21.219 -3.707 1.00 0.00 C ATOM 1338 O PRO B 13 8.068 21.083 -4.384 1.00 0.00 O ATOM 1339 CB PRO B 13 6.135 23.517 -3.239 1.00 0.00 C ATOM 1340 CG PRO B 13 5.053 23.444 -2.215 1.00 0.00 C ATOM 1341 CD PRO B 13 3.928 22.687 -2.858 1.00 0.00 C ATOM 0 HA PRO B 13 6.112 22.423 -5.152 1.00 0.00 H new ATOM 0 HB2 PRO B 13 7.118 23.562 -2.770 1.00 0.00 H new ATOM 0 HB3 PRO B 13 6.034 24.411 -3.854 1.00 0.00 H new ATOM 0 HG2 PRO B 13 5.401 22.937 -1.315 1.00 0.00 H new ATOM 0 HG3 PRO B 13 4.731 24.441 -1.915 1.00 0.00 H new ATOM 0 HD2 PRO B 13 3.328 22.152 -2.122 1.00 0.00 H new ATOM 0 HD3 PRO B 13 3.253 23.349 -3.400 1.00 0.00 H new ATOM 1349 N VAL B 14 6.782 20.486 -2.627 1.00 0.00 N ATOM 1350 CA VAL B 14 7.652 19.404 -2.180 1.00 0.00 C ATOM 1351 C VAL B 14 7.874 18.393 -3.302 1.00 0.00 C ATOM 1352 O VAL B 14 8.984 17.905 -3.509 1.00 0.00 O ATOM 1353 CB VAL B 14 7.042 18.682 -0.955 1.00 0.00 C ATOM 1354 CG1 VAL B 14 7.890 17.490 -0.534 1.00 0.00 C ATOM 1355 CG2 VAL B 14 6.868 19.651 0.205 1.00 0.00 C ATOM 0 H VAL B 14 5.960 20.626 -2.040 1.00 0.00 H new ATOM 0 HA VAL B 14 8.609 19.842 -1.897 1.00 0.00 H new ATOM 0 HB VAL B 14 6.061 18.306 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL B 14 7.433 17.005 0.329 1.00 0.00 H new ATOM 0 HG12 VAL B 14 7.953 16.779 -1.358 1.00 0.00 H new ATOM 0 HG13 VAL B 14 8.891 17.831 -0.271 1.00 0.00 H new ATOM 0 HG21 VAL B 14 6.438 19.125 1.057 1.00 0.00 H new ATOM 0 HG22 VAL B 14 7.838 20.062 0.484 1.00 0.00 H new ATOM 0 HG23 VAL B 14 6.203 20.461 -0.094 1.00 0.00 H new ATOM 1365 N CYS B 15 6.809 18.117 -4.042 1.00 0.00 N ATOM 1366 CA CYS B 15 6.843 17.131 -5.110 1.00 0.00 C ATOM 1367 C CYS B 15 7.661 17.645 -6.292 1.00 0.00 C ATOM 1368 O CYS B 15 8.287 16.870 -7.015 1.00 0.00 O ATOM 1369 CB CYS B 15 5.414 16.824 -5.549 1.00 0.00 C ATOM 1370 SG CYS B 15 4.254 16.686 -4.167 1.00 0.00 S ATOM 0 H CYS B 15 5.902 18.568 -3.919 1.00 0.00 H new ATOM 0 HA CYS B 15 7.317 16.221 -4.744 1.00 0.00 H new ATOM 0 HB2 CYS B 15 5.072 17.609 -6.224 1.00 0.00 H new ATOM 0 HB3 CYS B 15 5.407 15.892 -6.114 1.00 0.00 H new ATOM 0 HG CYS B 15 3.037 16.660 -4.623 1.00 0.00 H new ATOM 1376 N VAL B 16 7.658 18.958 -6.472 1.00 0.00 N ATOM 1377 CA VAL B 16 8.402 19.583 -7.556 1.00 0.00 C ATOM 1378 C VAL B 16 9.897 19.538 -7.267 1.00 0.00 C ATOM 1379 O VAL B 16 10.692 19.136 -8.116 1.00 0.00 O ATOM 1380 CB VAL B 16 7.963 21.049 -7.767 1.00 0.00 C ATOM 1381 CG1 VAL B 16 8.666 21.657 -8.973 1.00 0.00 C ATOM 1382 CG2 VAL B 16 6.452 21.137 -7.925 1.00 0.00 C ATOM 0 H VAL B 16 7.147 19.613 -5.880 1.00 0.00 H new ATOM 0 HA VAL B 16 8.189 19.023 -8.467 1.00 0.00 H new ATOM 0 HB VAL B 16 8.250 21.621 -6.884 1.00 0.00 H new ATOM 0 HG11 VAL B 16 8.341 22.689 -9.101 1.00 0.00 H new ATOM 0 HG12 VAL B 16 9.744 21.633 -8.816 1.00 0.00 H new ATOM 0 HG13 VAL B 16 8.417 21.084 -9.866 1.00 0.00 H new ATOM 0 HG21 VAL B 16 6.162 22.177 -8.073 1.00 0.00 H new ATOM 0 HG22 VAL B 16 6.141 20.548 -8.788 1.00 0.00 H new ATOM 0 HG23 VAL B 16 5.969 20.749 -7.028 1.00 0.00 H new ATOM 1392 N SER B 17 10.271 19.932 -6.056 1.00 0.00 N ATOM 1393 CA SER B 17 11.666 19.919 -5.644 1.00 0.00 C ATOM 1394 C SER B 17 12.212 18.492 -5.600 1.00 0.00 C ATOM 1395 O SER B 17 13.348 18.238 -6.009 1.00 0.00 O ATOM 1396 CB SER B 17 11.809 20.593 -4.282 1.00 0.00 C ATOM 1397 OG SER B 17 11.352 21.935 -4.341 1.00 0.00 O ATOM 0 H SER B 17 9.624 20.265 -5.341 1.00 0.00 H new ATOM 0 HA SER B 17 12.250 20.475 -6.378 1.00 0.00 H new ATOM 0 HB2 SER B 17 11.239 20.041 -3.535 1.00 0.00 H new ATOM 0 HB3 SER B 17 12.852 20.571 -3.967 1.00 0.00 H new ATOM 0 HG SER B 17 11.449 22.353 -3.460 1.00 0.00 H new ATOM 1403 N ALA B 18 11.392 17.557 -5.126 1.00 0.00 N ATOM 1404 CA ALA B 18 11.782 16.153 -5.079 1.00 0.00 C ATOM 1405 C ALA B 18 12.039 15.616 -6.482 1.00 0.00 C ATOM 1406 O ALA B 18 12.914 14.776 -6.686 1.00 0.00 O ATOM 1407 CB ALA B 18 10.713 15.326 -4.381 1.00 0.00 C ATOM 0 H ALA B 18 10.455 17.747 -4.770 1.00 0.00 H new ATOM 0 HA ALA B 18 12.708 16.076 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA B 18 11.021 14.281 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA B 18 10.579 15.690 -3.362 1.00 0.00 H new ATOM 0 HB3 ALA B 18 9.772 15.414 -4.925 1.00 0.00 H new ATOM 1413 N GLU B 19 11.281 16.120 -7.446 1.00 0.00 N ATOM 1414 CA GLU B 19 11.446 15.726 -8.838 1.00 0.00 C ATOM 1415 C GLU B 19 12.801 16.185 -9.374 1.00 0.00 C ATOM 1416 O GLU B 19 13.502 15.429 -10.044 1.00 0.00 O ATOM 1417 CB GLU B 19 10.317 16.316 -9.689 1.00 0.00 C ATOM 1418 CG GLU B 19 10.382 15.932 -11.159 1.00 0.00 C ATOM 1419 CD GLU B 19 9.295 16.594 -11.981 1.00 0.00 C ATOM 1420 OE1 GLU B 19 8.148 16.100 -11.968 1.00 0.00 O ATOM 1421 OE2 GLU B 19 9.578 17.610 -12.650 1.00 0.00 O ATOM 0 H GLU B 19 10.543 16.806 -7.288 1.00 0.00 H new ATOM 0 HA GLU B 19 11.404 14.638 -8.894 1.00 0.00 H new ATOM 0 HB2 GLU B 19 9.360 15.989 -9.281 1.00 0.00 H new ATOM 0 HB3 GLU B 19 10.344 17.403 -9.607 1.00 0.00 H new ATOM 0 HG2 GLU B 19 11.357 16.209 -11.561 1.00 0.00 H new ATOM 0 HG3 GLU B 19 10.295 14.849 -11.252 1.00 0.00 H new ATOM 1428 N GLN B 20 13.183 17.413 -9.043 1.00 0.00 N ATOM 1429 CA GLN B 20 14.390 18.011 -9.609 1.00 0.00 C ATOM 1430 C GLN B 20 15.650 17.506 -8.913 1.00 0.00 C ATOM 1431 O GLN B 20 16.754 17.663 -9.432 1.00 0.00 O ATOM 1432 CB GLN B 20 14.331 19.538 -9.514 1.00 0.00 C ATOM 1433 CG GLN B 20 13.015 20.127 -9.987 1.00 0.00 C ATOM 1434 CD GLN B 20 12.576 19.595 -11.337 1.00 0.00 C ATOM 1435 OE1 GLN B 20 13.397 19.274 -12.197 1.00 0.00 O ATOM 1436 NE2 GLN B 20 11.273 19.487 -11.519 1.00 0.00 N ATOM 0 H GLN B 20 12.679 18.012 -8.390 1.00 0.00 H new ATOM 0 HA GLN B 20 14.435 17.714 -10.657 1.00 0.00 H new ATOM 0 HB2 GLN B 20 14.502 19.836 -8.479 1.00 0.00 H new ATOM 0 HB3 GLN B 20 15.142 19.962 -10.106 1.00 0.00 H new ATOM 0 HG2 GLN B 20 12.242 19.912 -9.250 1.00 0.00 H new ATOM 0 HG3 GLN B 20 13.109 21.211 -10.044 1.00 0.00 H new ATOM 0 HE21 GLN B 20 10.630 19.765 -10.778 1.00 0.00 H new ATOM 0 HE22 GLN B 20 10.909 19.125 -12.401 1.00 0.00 H new ATOM 1445 N ALA B 21 15.489 16.916 -7.739 1.00 0.00 N ATOM 1446 CA ALA B 21 16.631 16.418 -6.987 1.00 0.00 C ATOM 1447 C ALA B 21 16.629 14.895 -6.896 1.00 0.00 C ATOM 1448 O ALA B 21 17.510 14.230 -7.439 1.00 0.00 O ATOM 1449 CB ALA B 21 16.652 17.035 -5.598 1.00 0.00 C ATOM 0 H ALA B 21 14.586 16.771 -7.288 1.00 0.00 H new ATOM 0 HA ALA B 21 17.535 16.711 -7.521 1.00 0.00 H new ATOM 0 HB1 ALA B 21 17.511 16.655 -5.044 1.00 0.00 H new ATOM 0 HB2 ALA B 21 16.725 18.119 -5.683 1.00 0.00 H new ATOM 0 HB3 ALA B 21 15.735 16.774 -5.070 1.00 0.00 H new ATOM 1455 N VAL B 22 15.625 14.346 -6.223 1.00 0.00 N ATOM 1456 CA VAL B 22 15.557 12.909 -5.976 1.00 0.00 C ATOM 1457 C VAL B 22 15.295 12.145 -7.270 1.00 0.00 C ATOM 1458 O VAL B 22 15.995 11.184 -7.588 1.00 0.00 O ATOM 1459 CB VAL B 22 14.455 12.560 -4.951 1.00 0.00 C ATOM 1460 CG1 VAL B 22 14.507 11.084 -4.584 1.00 0.00 C ATOM 1461 CG2 VAL B 22 14.578 13.429 -3.708 1.00 0.00 C ATOM 0 H VAL B 22 14.843 14.876 -5.837 1.00 0.00 H new ATOM 0 HA VAL B 22 16.523 12.612 -5.568 1.00 0.00 H new ATOM 0 HB VAL B 22 13.488 12.762 -5.412 1.00 0.00 H new ATOM 0 HG11 VAL B 22 13.722 10.861 -3.861 1.00 0.00 H new ATOM 0 HG12 VAL B 22 14.358 10.481 -5.480 1.00 0.00 H new ATOM 0 HG13 VAL B 22 15.479 10.851 -4.148 1.00 0.00 H new ATOM 0 HG21 VAL B 22 13.792 13.165 -3.001 1.00 0.00 H new ATOM 0 HG22 VAL B 22 15.552 13.267 -3.246 1.00 0.00 H new ATOM 0 HG23 VAL B 22 14.479 14.478 -3.986 1.00 0.00 H new ATOM 1471 N ALA B 23 14.298 12.592 -8.027 1.00 0.00 N ATOM 1472 CA ALA B 23 13.942 11.939 -9.282 1.00 0.00 C ATOM 1473 C ALA B 23 14.977 12.228 -10.365 1.00 0.00 C ATOM 1474 O ALA B 23 14.973 11.607 -11.424 1.00 0.00 O ATOM 1475 CB ALA B 23 12.555 12.373 -9.736 1.00 0.00 C ATOM 0 H ALA B 23 13.723 13.402 -7.794 1.00 0.00 H new ATOM 0 HA ALA B 23 13.929 10.863 -9.110 1.00 0.00 H new ATOM 0 HB1 ALA B 23 12.307 11.876 -10.674 1.00 0.00 H new ATOM 0 HB2 ALA B 23 11.822 12.102 -8.976 1.00 0.00 H new ATOM 0 HB3 ALA B 23 12.542 13.453 -9.884 1.00 0.00 H new ATOM 1481 N ASN B 24 15.858 13.180 -10.092 1.00 0.00 N ATOM 1482 CA ASN B 24 16.956 13.489 -10.998 1.00 0.00 C ATOM 1483 C ASN B 24 18.119 12.536 -10.747 1.00 0.00 C ATOM 1484 O ASN B 24 18.810 12.115 -11.677 1.00 0.00 O ATOM 1485 CB ASN B 24 17.411 14.938 -10.807 1.00 0.00 C ATOM 1486 CG ASN B 24 18.578 15.315 -11.701 1.00 0.00 C ATOM 1487 OD1 ASN B 24 19.739 15.155 -11.327 1.00 0.00 O ATOM 1488 ND2 ASN B 24 18.277 15.834 -12.880 1.00 0.00 N ATOM 0 H ASN B 24 15.834 13.753 -9.249 1.00 0.00 H new ATOM 0 HA ASN B 24 16.611 13.366 -12.025 1.00 0.00 H new ATOM 0 HB2 ASN B 24 16.574 15.606 -11.010 1.00 0.00 H new ATOM 0 HB3 ASN B 24 17.694 15.090 -9.765 1.00 0.00 H new ATOM 0 HD21 ASN B 24 19.021 16.118 -13.517 1.00 0.00 H new ATOM 0 HD22 ASN B 24 17.301 15.950 -13.152 1.00 0.00 H new ATOM 1495 N ALA B 25 18.313 12.192 -9.478 1.00 0.00 N ATOM 1496 CA ALA B 25 19.361 11.265 -9.076 1.00 0.00 C ATOM 1497 C ALA B 25 19.066 9.858 -9.585 1.00 0.00 C ATOM 1498 O ALA B 25 19.975 9.114 -9.962 1.00 0.00 O ATOM 1499 CB ALA B 25 19.499 11.262 -7.562 1.00 0.00 C ATOM 0 H ALA B 25 17.751 12.547 -8.704 1.00 0.00 H new ATOM 0 HA ALA B 25 20.302 11.594 -9.517 1.00 0.00 H new ATOM 0 HB1 ALA B 25 20.285 10.566 -7.270 1.00 0.00 H new ATOM 0 HB2 ALA B 25 19.755 12.264 -7.218 1.00 0.00 H new ATOM 0 HB3 ALA B 25 18.556 10.954 -7.111 1.00 0.00 H new ATOM 1505 N ILE B 26 17.791 9.499 -9.582 1.00 0.00 N ATOM 1506 CA ILE B 26 17.356 8.221 -10.120 1.00 0.00 C ATOM 1507 C ILE B 26 17.055 8.367 -11.606 1.00 0.00 C ATOM 1508 O ILE B 26 16.054 8.967 -11.993 1.00 0.00 O ATOM 1509 CB ILE B 26 16.109 7.685 -9.384 1.00 0.00 C ATOM 1510 CG1 ILE B 26 16.391 7.574 -7.882 1.00 0.00 C ATOM 1511 CG2 ILE B 26 15.694 6.333 -9.954 1.00 0.00 C ATOM 1512 CD1 ILE B 26 15.197 7.121 -7.068 1.00 0.00 C ATOM 0 H ILE B 26 17.038 10.078 -9.211 1.00 0.00 H new ATOM 0 HA ILE B 26 18.163 7.503 -9.973 1.00 0.00 H new ATOM 0 HB ILE B 26 15.286 8.385 -9.532 1.00 0.00 H new ATOM 0 HG12 ILE B 26 17.212 6.874 -7.727 1.00 0.00 H new ATOM 0 HG13 ILE B 26 16.725 8.543 -7.512 1.00 0.00 H new ATOM 0 HG21 ILE B 26 14.814 5.969 -9.424 1.00 0.00 H new ATOM 0 HG22 ILE B 26 15.461 6.441 -11.013 1.00 0.00 H new ATOM 0 HG23 ILE B 26 16.510 5.621 -9.833 1.00 0.00 H new ATOM 0 HD11 ILE B 26 15.474 7.066 -6.015 1.00 0.00 H new ATOM 0 HD12 ILE B 26 14.381 7.833 -7.192 1.00 0.00 H new ATOM 0 HD13 ILE B 26 14.875 6.137 -7.410 1.00 0.00 H new ATOM 1524 N ASP B 27 17.943 7.832 -12.428 1.00 0.00 N ATOM 1525 CA ASP B 27 17.835 7.973 -13.877 1.00 0.00 C ATOM 1526 C ASP B 27 16.593 7.255 -14.408 1.00 0.00 C ATOM 1527 O ASP B 27 16.317 6.118 -14.024 1.00 0.00 O ATOM 1528 CB ASP B 27 19.092 7.416 -14.553 1.00 0.00 C ATOM 1529 CG ASP B 27 19.196 7.825 -16.006 1.00 0.00 C ATOM 1530 OD1 ASP B 27 18.494 7.233 -16.847 1.00 0.00 O ATOM 1531 OD2 ASP B 27 19.973 8.754 -16.313 1.00 0.00 O ATOM 0 H ASP B 27 18.751 7.293 -12.118 1.00 0.00 H new ATOM 0 HA ASP B 27 17.741 9.034 -14.110 1.00 0.00 H new ATOM 0 HB2 ASP B 27 19.974 7.765 -14.016 1.00 0.00 H new ATOM 0 HB3 ASP B 27 19.086 6.328 -14.484 1.00 0.00 H new ATOM 1536 N PRO B 28 15.830 7.915 -15.298 1.00 0.00 N ATOM 1537 CA PRO B 28 14.616 7.338 -15.895 1.00 0.00 C ATOM 1538 C PRO B 28 14.901 6.094 -16.743 1.00 0.00 C ATOM 1539 O PRO B 28 14.001 5.296 -17.010 1.00 0.00 O ATOM 1540 CB PRO B 28 14.071 8.466 -16.779 1.00 0.00 C ATOM 1541 CG PRO B 28 14.727 9.707 -16.280 1.00 0.00 C ATOM 1542 CD PRO B 28 16.074 9.285 -15.775 1.00 0.00 C ATOM 0 HA PRO B 28 13.920 7.002 -15.126 1.00 0.00 H new ATOM 0 HB2 PRO B 28 14.306 8.292 -17.829 1.00 0.00 H new ATOM 0 HB3 PRO B 28 12.986 8.536 -16.703 1.00 0.00 H new ATOM 0 HG2 PRO B 28 14.822 10.446 -17.076 1.00 0.00 H new ATOM 0 HG3 PRO B 28 14.139 10.168 -15.486 1.00 0.00 H new ATOM 0 HD2 PRO B 28 16.827 9.311 -16.562 1.00 0.00 H new ATOM 0 HD3 PRO B 28 16.427 9.935 -14.974 1.00 0.00 H new ATOM 1550 N SER B 29 16.146 5.943 -17.174 1.00 0.00 N ATOM 1551 CA SER B 29 16.546 4.780 -17.951 1.00 0.00 C ATOM 1552 C SER B 29 17.077 3.699 -17.010 1.00 0.00 C ATOM 1553 O SER B 29 17.193 2.529 -17.379 1.00 0.00 O ATOM 1554 CB SER B 29 17.613 5.177 -18.980 1.00 0.00 C ATOM 1555 OG SER B 29 17.820 4.152 -19.939 1.00 0.00 O ATOM 0 H SER B 29 16.896 6.612 -16.998 1.00 0.00 H new ATOM 0 HA SER B 29 15.684 4.386 -18.489 1.00 0.00 H new ATOM 0 HB2 SER B 29 17.309 6.093 -19.486 1.00 0.00 H new ATOM 0 HB3 SER B 29 18.551 5.392 -18.468 1.00 0.00 H new ATOM 0 HG SER B 29 18.504 4.437 -20.580 1.00 0.00 H new ATOM 1561 N LYS B 30 17.378 4.107 -15.785 1.00 0.00 N ATOM 1562 CA LYS B 30 17.865 3.198 -14.759 1.00 0.00 C ATOM 1563 C LYS B 30 16.680 2.490 -14.112 1.00 0.00 C ATOM 1564 O LYS B 30 16.677 1.269 -13.952 1.00 0.00 O ATOM 1565 CB LYS B 30 18.661 3.987 -13.714 1.00 0.00 C ATOM 1566 CG LYS B 30 19.453 3.135 -12.736 1.00 0.00 C ATOM 1567 CD LYS B 30 20.158 4.010 -11.710 1.00 0.00 C ATOM 1568 CE LYS B 30 21.086 3.205 -10.813 1.00 0.00 C ATOM 1569 NZ LYS B 30 22.249 2.654 -11.560 1.00 0.00 N ATOM 0 H LYS B 30 17.291 5.075 -15.476 1.00 0.00 H new ATOM 0 HA LYS B 30 18.522 2.450 -15.203 1.00 0.00 H new ATOM 0 HB2 LYS B 30 19.349 4.655 -14.231 1.00 0.00 H new ATOM 0 HB3 LYS B 30 17.971 4.615 -13.150 1.00 0.00 H new ATOM 0 HG2 LYS B 30 18.785 2.438 -12.230 1.00 0.00 H new ATOM 0 HG3 LYS B 30 20.187 2.538 -13.277 1.00 0.00 H new ATOM 0 HD2 LYS B 30 20.731 4.781 -12.225 1.00 0.00 H new ATOM 0 HD3 LYS B 30 19.415 4.520 -11.097 1.00 0.00 H new ATOM 0 HE2 LYS B 30 21.444 3.838 -10.002 1.00 0.00 H new ATOM 0 HE3 LYS B 30 20.529 2.387 -10.357 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 22.954 2.291 -10.887 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 21.930 1.881 -12.178 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 22.678 3.405 -12.138 1.00 0.00 H new ATOM 1583 N TYR B 31 15.675 3.278 -13.752 1.00 0.00 N ATOM 1584 CA TYR B 31 14.420 2.762 -13.226 1.00 0.00 C ATOM 1585 C TYR B 31 13.261 3.557 -13.814 1.00 0.00 C ATOM 1586 O TYR B 31 13.396 4.750 -14.086 1.00 0.00 O ATOM 1587 CB TYR B 31 14.387 2.837 -11.694 1.00 0.00 C ATOM 1588 CG TYR B 31 15.261 1.806 -11.010 1.00 0.00 C ATOM 1589 CD1 TYR B 31 14.806 0.508 -10.813 1.00 0.00 C ATOM 1590 CD2 TYR B 31 16.537 2.129 -10.564 1.00 0.00 C ATOM 1591 CE1 TYR B 31 15.596 -0.440 -10.190 1.00 0.00 C ATOM 1592 CE2 TYR B 31 17.335 1.184 -9.941 1.00 0.00 C ATOM 1593 CZ TYR B 31 16.860 -0.097 -9.756 1.00 0.00 C ATOM 1594 OH TYR B 31 17.652 -1.041 -9.136 1.00 0.00 O ATOM 0 H TYR B 31 15.708 4.295 -13.817 1.00 0.00 H new ATOM 0 HA TYR B 31 14.329 1.714 -13.511 1.00 0.00 H new ATOM 0 HB2 TYR B 31 14.704 3.832 -11.382 1.00 0.00 H new ATOM 0 HB3 TYR B 31 13.359 2.709 -11.356 1.00 0.00 H new ATOM 0 HD1 TYR B 31 13.818 0.235 -11.153 1.00 0.00 H new ATOM 0 HD2 TYR B 31 16.912 3.132 -10.705 1.00 0.00 H new ATOM 0 HE1 TYR B 31 15.226 -1.444 -10.044 1.00 0.00 H new ATOM 0 HE2 TYR B 31 18.325 1.449 -9.601 1.00 0.00 H new ATOM 0 HH TYR B 31 18.512 -0.638 -8.893 1.00 0.00 H new ATOM 1604 N THR B 32 12.126 2.903 -14.004 1.00 0.00 N ATOM 1605 CA THR B 32 10.986 3.535 -14.650 1.00 0.00 C ATOM 1606 C THR B 32 10.175 4.349 -13.641 1.00 0.00 C ATOM 1607 O THR B 32 9.316 3.820 -12.947 1.00 0.00 O ATOM 1608 CB THR B 32 10.079 2.480 -15.318 1.00 0.00 C ATOM 1609 OG1 THR B 32 10.880 1.562 -16.080 1.00 0.00 O ATOM 1610 CG2 THR B 32 9.059 3.141 -16.234 1.00 0.00 C ATOM 0 H THR B 32 11.969 1.936 -13.720 1.00 0.00 H new ATOM 0 HA THR B 32 11.369 4.206 -15.419 1.00 0.00 H new ATOM 0 HB THR B 32 9.546 1.943 -14.534 1.00 0.00 H new ATOM 0 HG1 THR B 32 11.182 0.832 -15.500 1.00 0.00 H new ATOM 0 HG21 THR B 32 8.432 2.376 -16.692 1.00 0.00 H new ATOM 0 HG22 THR B 32 8.436 3.821 -15.654 1.00 0.00 H new ATOM 0 HG23 THR B 32 9.578 3.700 -17.013 1.00 0.00 H new ATOM 1618 N VAL B 33 10.473 5.636 -13.547 1.00 0.00 N ATOM 1619 CA VAL B 33 9.813 6.502 -12.576 1.00 0.00 C ATOM 1620 C VAL B 33 8.439 6.950 -13.076 1.00 0.00 C ATOM 1621 O VAL B 33 8.320 7.528 -14.158 1.00 0.00 O ATOM 1622 CB VAL B 33 10.672 7.747 -12.262 1.00 0.00 C ATOM 1623 CG1 VAL B 33 10.015 8.604 -11.187 1.00 0.00 C ATOM 1624 CG2 VAL B 33 12.075 7.334 -11.833 1.00 0.00 C ATOM 0 H VAL B 33 11.166 6.105 -14.129 1.00 0.00 H new ATOM 0 HA VAL B 33 9.686 5.918 -11.664 1.00 0.00 H new ATOM 0 HB VAL B 33 10.749 8.344 -13.171 1.00 0.00 H new ATOM 0 HG11 VAL B 33 10.639 9.474 -10.984 1.00 0.00 H new ATOM 0 HG12 VAL B 33 9.035 8.933 -11.533 1.00 0.00 H new ATOM 0 HG13 VAL B 33 9.900 8.019 -10.275 1.00 0.00 H new ATOM 0 HG21 VAL B 33 12.666 8.224 -11.616 1.00 0.00 H new ATOM 0 HG22 VAL B 33 12.014 6.712 -10.940 1.00 0.00 H new ATOM 0 HG23 VAL B 33 12.550 6.770 -12.636 1.00 0.00 H new ATOM 1634 N GLU B 34 7.412 6.677 -12.283 1.00 0.00 N ATOM 1635 CA GLU B 34 6.053 7.103 -12.600 1.00 0.00 C ATOM 1636 C GLU B 34 5.534 8.019 -11.501 1.00 0.00 C ATOM 1637 O GLU B 34 5.507 7.639 -10.335 1.00 0.00 O ATOM 1638 CB GLU B 34 5.118 5.899 -12.728 1.00 0.00 C ATOM 1639 CG GLU B 34 5.593 4.843 -13.710 1.00 0.00 C ATOM 1640 CD GLU B 34 4.565 3.749 -13.907 1.00 0.00 C ATOM 1641 OE1 GLU B 34 4.227 3.061 -12.926 1.00 0.00 O ATOM 1642 OE2 GLU B 34 4.093 3.574 -15.048 1.00 0.00 O ATOM 0 H GLU B 34 7.494 6.158 -11.409 1.00 0.00 H new ATOM 0 HA GLU B 34 6.076 7.634 -13.552 1.00 0.00 H new ATOM 0 HB2 GLU B 34 5.000 5.439 -11.747 1.00 0.00 H new ATOM 0 HB3 GLU B 34 4.133 6.249 -13.037 1.00 0.00 H new ATOM 0 HG2 GLU B 34 5.812 5.312 -14.669 1.00 0.00 H new ATOM 0 HG3 GLU B 34 6.524 4.405 -13.350 1.00 0.00 H new ATOM 1649 N ILE B 35 5.126 9.221 -11.870 1.00 0.00 N ATOM 1650 CA ILE B 35 4.652 10.191 -10.895 1.00 0.00 C ATOM 1651 C ILE B 35 3.120 10.209 -10.848 1.00 0.00 C ATOM 1652 O ILE B 35 2.458 10.522 -11.840 1.00 0.00 O ATOM 1653 CB ILE B 35 5.205 11.599 -11.211 1.00 0.00 C ATOM 1654 CG1 ILE B 35 6.735 11.543 -11.315 1.00 0.00 C ATOM 1655 CG2 ILE B 35 4.785 12.596 -10.142 1.00 0.00 C ATOM 1656 CD1 ILE B 35 7.384 12.883 -11.589 1.00 0.00 C ATOM 0 H ILE B 35 5.113 9.549 -12.836 1.00 0.00 H new ATOM 0 HA ILE B 35 5.019 9.893 -9.913 1.00 0.00 H new ATOM 0 HB ILE B 35 4.793 11.931 -12.164 1.00 0.00 H new ATOM 0 HG12 ILE B 35 7.137 11.139 -10.386 1.00 0.00 H new ATOM 0 HG13 ILE B 35 7.010 10.849 -12.109 1.00 0.00 H new ATOM 0 HG21 ILE B 35 5.185 13.580 -10.385 1.00 0.00 H new ATOM 0 HG22 ILE B 35 3.697 12.647 -10.100 1.00 0.00 H new ATOM 0 HG23 ILE B 35 5.171 12.276 -9.174 1.00 0.00 H new ATOM 0 HD11 ILE B 35 8.465 12.758 -11.648 1.00 0.00 H new ATOM 0 HD12 ILE B 35 7.012 13.281 -12.533 1.00 0.00 H new ATOM 0 HD13 ILE B 35 7.142 13.576 -10.783 1.00 0.00 H new ATOM 1668 N VAL B 36 2.567 9.872 -9.687 1.00 0.00 N ATOM 1669 CA VAL B 36 1.129 9.670 -9.539 1.00 0.00 C ATOM 1670 C VAL B 36 0.492 10.738 -8.649 1.00 0.00 C ATOM 1671 O VAL B 36 0.901 10.932 -7.502 1.00 0.00 O ATOM 1672 CB VAL B 36 0.832 8.276 -8.947 1.00 0.00 C ATOM 1673 CG1 VAL B 36 -0.661 8.075 -8.744 1.00 0.00 C ATOM 1674 CG2 VAL B 36 1.404 7.185 -9.841 1.00 0.00 C ATOM 0 H VAL B 36 3.098 9.732 -8.828 1.00 0.00 H new ATOM 0 HA VAL B 36 0.695 9.747 -10.536 1.00 0.00 H new ATOM 0 HB VAL B 36 1.314 8.213 -7.972 1.00 0.00 H new ATOM 0 HG11 VAL B 36 -0.841 7.085 -8.326 1.00 0.00 H new ATOM 0 HG12 VAL B 36 -1.040 8.833 -8.058 1.00 0.00 H new ATOM 0 HG13 VAL B 36 -1.174 8.163 -9.702 1.00 0.00 H new ATOM 0 HG21 VAL B 36 1.186 6.209 -9.409 1.00 0.00 H new ATOM 0 HG22 VAL B 36 0.953 7.252 -10.831 1.00 0.00 H new ATOM 0 HG23 VAL B 36 2.483 7.312 -9.924 1.00 0.00 H new ATOM 1684 N HIS B 37 -0.524 11.411 -9.181 1.00 0.00 N ATOM 1685 CA HIS B 37 -1.223 12.466 -8.453 1.00 0.00 C ATOM 1686 C HIS B 37 -2.397 11.880 -7.666 1.00 0.00 C ATOM 1687 O HIS B 37 -3.427 11.523 -8.245 1.00 0.00 O ATOM 1688 CB HIS B 37 -1.731 13.525 -9.437 1.00 0.00 C ATOM 1689 CG HIS B 37 -2.037 14.857 -8.813 1.00 0.00 C ATOM 1690 ND1 HIS B 37 -3.064 15.024 -7.916 1.00 0.00 N ATOM 1691 CD2 HIS B 37 -1.421 16.047 -9.002 1.00 0.00 C ATOM 1692 CE1 HIS B 37 -3.046 16.306 -7.583 1.00 0.00 C ATOM 1693 NE2 HIS B 37 -2.070 16.964 -8.218 1.00 0.00 N ATOM 0 H HIS B 37 -0.884 11.243 -10.121 1.00 0.00 H new ATOM 0 HA HIS B 37 -0.529 12.930 -7.752 1.00 0.00 H new ATOM 0 HB2 HIS B 37 -0.983 13.666 -10.217 1.00 0.00 H new ATOM 0 HB3 HIS B 37 -2.632 13.150 -9.923 1.00 0.00 H new ATOM 0 HD2 HIS B 37 -0.577 16.238 -9.649 1.00 0.00 H new ATOM 0 HE1 HIS B 37 -3.733 16.763 -6.886 1.00 0.00 H new ATOM 0 HE2 HIS B 37 -1.851 17.957 -8.135 1.00 0.00 H new ATOM 1701 N LEU B 38 -2.238 11.779 -6.351 1.00 0.00 N ATOM 1702 CA LEU B 38 -3.279 11.215 -5.494 1.00 0.00 C ATOM 1703 C LEU B 38 -4.286 12.277 -5.075 1.00 0.00 C ATOM 1704 O LEU B 38 -5.369 11.959 -4.588 1.00 0.00 O ATOM 1705 CB LEU B 38 -2.669 10.577 -4.243 1.00 0.00 C ATOM 1706 CG LEU B 38 -1.753 9.383 -4.496 1.00 0.00 C ATOM 1707 CD1 LEU B 38 -1.293 8.783 -3.178 1.00 0.00 C ATOM 1708 CD2 LEU B 38 -2.465 8.340 -5.341 1.00 0.00 C ATOM 0 H LEU B 38 -1.400 12.080 -5.854 1.00 0.00 H new ATOM 0 HA LEU B 38 -3.794 10.450 -6.075 1.00 0.00 H new ATOM 0 HB2 LEU B 38 -2.104 11.339 -3.706 1.00 0.00 H new ATOM 0 HB3 LEU B 38 -3.479 10.259 -3.587 1.00 0.00 H new ATOM 0 HG LEU B 38 -0.875 9.726 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU B 38 -0.640 7.932 -3.374 1.00 0.00 H new ATOM 0 HD12 LEU B 38 -0.748 9.534 -2.607 1.00 0.00 H new ATOM 0 HD13 LEU B 38 -2.160 8.451 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU B 38 -1.799 7.495 -5.513 1.00 0.00 H new ATOM 0 HD22 LEU B 38 -3.359 7.998 -4.819 1.00 0.00 H new ATOM 0 HD23 LEU B 38 -2.749 8.779 -6.298 1.00 0.00 H new ATOM 1720 N GLY B 39 -3.929 13.537 -5.273 1.00 0.00 N ATOM 1721 CA GLY B 39 -4.806 14.623 -4.875 1.00 0.00 C ATOM 1722 C GLY B 39 -5.991 14.778 -5.808 1.00 0.00 C ATOM 1723 O GLY B 39 -6.929 15.520 -5.517 1.00 0.00 O ATOM 0 H GLY B 39 -3.050 13.829 -5.701 1.00 0.00 H new ATOM 0 HA2 GLY B 39 -5.165 14.444 -3.862 1.00 0.00 H new ATOM 0 HA3 GLY B 39 -4.240 15.554 -4.852 1.00 0.00 H new ATOM 1727 N THR B 40 -5.948 14.073 -6.929 1.00 0.00 N ATOM 1728 CA THR B 40 -7.002 14.156 -7.923 1.00 0.00 C ATOM 1729 C THR B 40 -7.877 12.903 -7.911 1.00 0.00 C ATOM 1730 O THR B 40 -9.078 12.974 -7.645 1.00 0.00 O ATOM 1731 CB THR B 40 -6.411 14.350 -9.333 1.00 0.00 C ATOM 1732 OG1 THR B 40 -5.527 15.478 -9.340 1.00 0.00 O ATOM 1733 CG2 THR B 40 -7.510 14.561 -10.362 1.00 0.00 C ATOM 0 H THR B 40 -5.190 13.435 -7.171 1.00 0.00 H new ATOM 0 HA THR B 40 -7.619 15.018 -7.668 1.00 0.00 H new ATOM 0 HB THR B 40 -5.859 13.448 -9.596 1.00 0.00 H new ATOM 0 HG1 THR B 40 -4.654 15.212 -8.982 1.00 0.00 H new ATOM 0 HG21 THR B 40 -7.065 14.695 -11.348 1.00 0.00 H new ATOM 0 HG22 THR B 40 -8.167 13.691 -10.376 1.00 0.00 H new ATOM 0 HG23 THR B 40 -8.087 15.448 -10.101 1.00 0.00 H new ATOM 1741 N ASP B 41 -7.268 11.756 -8.178 1.00 0.00 N ATOM 1742 CA ASP B 41 -8.019 10.517 -8.355 1.00 0.00 C ATOM 1743 C ASP B 41 -8.074 9.715 -7.060 1.00 0.00 C ATOM 1744 O ASP B 41 -7.064 9.551 -6.379 1.00 0.00 O ATOM 1745 CB ASP B 41 -7.393 9.681 -9.470 1.00 0.00 C ATOM 1746 CG ASP B 41 -8.119 8.373 -9.693 1.00 0.00 C ATOM 1747 OD1 ASP B 41 -9.129 8.362 -10.429 1.00 0.00 O ATOM 1748 OD2 ASP B 41 -7.681 7.355 -9.136 1.00 0.00 O ATOM 0 H ASP B 41 -6.258 11.656 -8.277 1.00 0.00 H new ATOM 0 HA ASP B 41 -9.041 10.775 -8.632 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -7.396 10.256 -10.396 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -6.351 9.477 -9.225 1.00 0.00 H new ATOM 1753 N LYS B 42 -9.259 9.206 -6.740 1.00 0.00 N ATOM 1754 CA LYS B 42 -9.481 8.498 -5.482 1.00 0.00 C ATOM 1755 C LYS B 42 -9.168 7.008 -5.608 1.00 0.00 C ATOM 1756 O LYS B 42 -8.901 6.338 -4.610 1.00 0.00 O ATOM 1757 CB LYS B 42 -10.926 8.685 -4.998 1.00 0.00 C ATOM 1758 CG LYS B 42 -11.190 10.021 -4.309 1.00 0.00 C ATOM 1759 CD LYS B 42 -11.004 11.201 -5.249 1.00 0.00 C ATOM 1760 CE LYS B 42 -11.218 12.523 -4.533 1.00 0.00 C ATOM 1761 NZ LYS B 42 -10.931 13.682 -5.417 1.00 0.00 N ATOM 0 H LYS B 42 -10.084 9.270 -7.336 1.00 0.00 H new ATOM 0 HA LYS B 42 -8.799 8.928 -4.748 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -11.598 8.591 -5.851 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -11.173 7.878 -4.308 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -12.206 10.030 -3.915 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -10.517 10.128 -3.458 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -10.000 11.174 -5.674 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -11.704 11.119 -6.080 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -12.247 12.582 -4.179 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -10.575 12.568 -3.654 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -10.496 14.444 -4.859 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -10.279 13.389 -6.172 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -11.818 14.025 -5.839 1.00 0.00 H new ATOM 1775 N ALA B 43 -9.187 6.494 -6.830 1.00 0.00 N ATOM 1776 CA ALA B 43 -8.918 5.081 -7.061 1.00 0.00 C ATOM 1777 C ALA B 43 -7.439 4.786 -6.853 1.00 0.00 C ATOM 1778 O ALA B 43 -7.066 3.744 -6.311 1.00 0.00 O ATOM 1779 CB ALA B 43 -9.358 4.674 -8.459 1.00 0.00 C ATOM 0 H ALA B 43 -9.385 7.032 -7.674 1.00 0.00 H new ATOM 0 HA ALA B 43 -9.491 4.495 -6.342 1.00 0.00 H new ATOM 0 HB1 ALA B 43 -9.149 3.615 -8.612 1.00 0.00 H new ATOM 0 HB2 ALA B 43 -10.428 4.852 -8.570 1.00 0.00 H new ATOM 0 HB3 ALA B 43 -8.813 5.262 -9.198 1.00 0.00 H new ATOM 1785 N ARG B 44 -6.604 5.723 -7.281 1.00 0.00 N ATOM 1786 CA ARG B 44 -5.164 5.625 -7.086 1.00 0.00 C ATOM 1787 C ARG B 44 -4.808 5.688 -5.603 1.00 0.00 C ATOM 1788 O ARG B 44 -3.788 5.149 -5.180 1.00 0.00 O ATOM 1789 CB ARG B 44 -4.451 6.738 -7.853 1.00 0.00 C ATOM 1790 CG ARG B 44 -4.486 6.551 -9.360 1.00 0.00 C ATOM 1791 CD ARG B 44 -3.947 7.774 -10.084 1.00 0.00 C ATOM 1792 NE ARG B 44 -3.816 7.546 -11.523 1.00 0.00 N ATOM 1793 CZ ARG B 44 -4.644 8.050 -12.438 1.00 0.00 C ATOM 1794 NH1 ARG B 44 -5.663 8.809 -12.066 1.00 0.00 N ATOM 1795 NH2 ARG B 44 -4.453 7.793 -13.725 1.00 0.00 N ATOM 0 H ARG B 44 -6.903 6.567 -7.770 1.00 0.00 H new ATOM 0 HA ARG B 44 -4.831 4.662 -7.473 1.00 0.00 H new ATOM 0 HB2 ARG B 44 -4.911 7.694 -7.602 1.00 0.00 H new ATOM 0 HB3 ARG B 44 -3.413 6.788 -7.525 1.00 0.00 H new ATOM 0 HG2 ARG B 44 -3.897 5.676 -9.633 1.00 0.00 H new ATOM 0 HG3 ARG B 44 -5.510 6.359 -9.680 1.00 0.00 H new ATOM 0 HD2 ARG B 44 -4.612 8.620 -9.910 1.00 0.00 H new ATOM 0 HD3 ARG B 44 -2.975 8.042 -9.669 1.00 0.00 H new ATOM 0 HE ARG B 44 -3.043 6.965 -11.846 1.00 0.00 H new ATOM 0 HH11 ARG B 44 -5.816 9.009 -11.078 1.00 0.00 H new ATOM 0 HH12 ARG B 44 -6.295 9.194 -12.768 1.00 0.00 H new ATOM 0 HH21 ARG B 44 -3.670 7.208 -14.018 1.00 0.00 H new ATOM 0 HH22 ARG B 44 -5.089 8.180 -14.422 1.00 0.00 H new ATOM 1809 N ILE B 45 -5.655 6.343 -4.814 1.00 0.00 N ATOM 1810 CA ILE B 45 -5.467 6.384 -3.368 1.00 0.00 C ATOM 1811 C ILE B 45 -5.615 4.978 -2.792 1.00 0.00 C ATOM 1812 O ILE B 45 -4.856 4.565 -1.915 1.00 0.00 O ATOM 1813 CB ILE B 45 -6.478 7.338 -2.688 1.00 0.00 C ATOM 1814 CG1 ILE B 45 -6.346 8.750 -3.267 1.00 0.00 C ATOM 1815 CG2 ILE B 45 -6.265 7.359 -1.179 1.00 0.00 C ATOM 1816 CD1 ILE B 45 -7.340 9.739 -2.697 1.00 0.00 C ATOM 0 H ILE B 45 -6.474 6.850 -5.150 1.00 0.00 H new ATOM 0 HA ILE B 45 -4.465 6.763 -3.169 1.00 0.00 H new ATOM 0 HB ILE B 45 -7.486 6.972 -2.886 1.00 0.00 H new ATOM 0 HG12 ILE B 45 -5.336 9.116 -3.081 1.00 0.00 H new ATOM 0 HG13 ILE B 45 -6.474 8.703 -4.348 1.00 0.00 H new ATOM 0 HG21 ILE B 45 -6.985 8.036 -0.719 1.00 0.00 H new ATOM 0 HG22 ILE B 45 -6.403 6.355 -0.778 1.00 0.00 H new ATOM 0 HG23 ILE B 45 -5.254 7.702 -0.959 1.00 0.00 H new ATOM 0 HD11 ILE B 45 -7.185 10.716 -3.155 1.00 0.00 H new ATOM 0 HD12 ILE B 45 -8.354 9.397 -2.906 1.00 0.00 H new ATOM 0 HD13 ILE B 45 -7.198 9.817 -1.619 1.00 0.00 H new ATOM 1828 N ALA B 46 -6.584 4.239 -3.316 1.00 0.00 N ATOM 1829 CA ALA B 46 -6.783 2.853 -2.925 1.00 0.00 C ATOM 1830 C ALA B 46 -5.615 1.989 -3.392 1.00 0.00 C ATOM 1831 O ALA B 46 -5.250 1.012 -2.739 1.00 0.00 O ATOM 1832 CB ALA B 46 -8.093 2.330 -3.485 1.00 0.00 C ATOM 0 H ALA B 46 -7.245 4.579 -4.014 1.00 0.00 H new ATOM 0 HA ALA B 46 -6.828 2.804 -1.837 1.00 0.00 H new ATOM 0 HB1 ALA B 46 -8.228 1.291 -3.184 1.00 0.00 H new ATOM 0 HB2 ALA B 46 -8.918 2.930 -3.101 1.00 0.00 H new ATOM 0 HB3 ALA B 46 -8.075 2.393 -4.573 1.00 0.00 H new ATOM 1838 N GLU B 47 -5.030 2.361 -4.529 1.00 0.00 N ATOM 1839 CA GLU B 47 -3.840 1.686 -5.034 1.00 0.00 C ATOM 1840 C GLU B 47 -2.690 1.859 -4.050 1.00 0.00 C ATOM 1841 O GLU B 47 -1.958 0.915 -3.765 1.00 0.00 O ATOM 1842 CB GLU B 47 -3.441 2.234 -6.409 1.00 0.00 C ATOM 1843 CG GLU B 47 -2.186 1.587 -6.982 1.00 0.00 C ATOM 1844 CD GLU B 47 -1.755 2.190 -8.304 1.00 0.00 C ATOM 1845 OE1 GLU B 47 -2.316 1.800 -9.352 1.00 0.00 O ATOM 1846 OE2 GLU B 47 -0.845 3.048 -8.310 1.00 0.00 O ATOM 0 H GLU B 47 -5.362 3.126 -5.116 1.00 0.00 H new ATOM 0 HA GLU B 47 -4.066 0.625 -5.142 1.00 0.00 H new ATOM 0 HB2 GLU B 47 -4.267 2.084 -7.104 1.00 0.00 H new ATOM 0 HB3 GLU B 47 -3.282 3.309 -6.330 1.00 0.00 H new ATOM 0 HG2 GLU B 47 -1.373 1.686 -6.263 1.00 0.00 H new ATOM 0 HG3 GLU B 47 -2.364 0.520 -7.117 1.00 0.00 H new ATOM 1853 N ALA B 48 -2.559 3.070 -3.515 1.00 0.00 N ATOM 1854 CA ALA B 48 -1.522 3.373 -2.536 1.00 0.00 C ATOM 1855 C ALA B 48 -1.662 2.490 -1.300 1.00 0.00 C ATOM 1856 O ALA B 48 -0.665 2.042 -0.731 1.00 0.00 O ATOM 1857 CB ALA B 48 -1.570 4.843 -2.148 1.00 0.00 C ATOM 0 H ALA B 48 -3.162 3.860 -3.745 1.00 0.00 H new ATOM 0 HA ALA B 48 -0.554 3.165 -2.993 1.00 0.00 H new ATOM 0 HB1 ALA B 48 -0.789 5.052 -1.417 1.00 0.00 H new ATOM 0 HB2 ALA B 48 -1.412 5.458 -3.034 1.00 0.00 H new ATOM 0 HB3 ALA B 48 -2.544 5.074 -1.715 1.00 0.00 H new ATOM 1863 N GLU B 49 -2.905 2.234 -0.895 1.00 0.00 N ATOM 1864 CA GLU B 49 -3.177 1.347 0.234 1.00 0.00 C ATOM 1865 C GLU B 49 -2.664 -0.060 -0.050 1.00 0.00 C ATOM 1866 O GLU B 49 -2.115 -0.726 0.828 1.00 0.00 O ATOM 1867 CB GLU B 49 -4.677 1.281 0.529 1.00 0.00 C ATOM 1868 CG GLU B 49 -5.308 2.620 0.858 1.00 0.00 C ATOM 1869 CD GLU B 49 -6.741 2.480 1.323 1.00 0.00 C ATOM 1870 OE1 GLU B 49 -7.642 2.324 0.468 1.00 0.00 O ATOM 1871 OE2 GLU B 49 -6.974 2.506 2.546 1.00 0.00 O ATOM 0 H GLU B 49 -3.738 2.628 -1.332 1.00 0.00 H new ATOM 0 HA GLU B 49 -2.658 1.754 1.102 1.00 0.00 H new ATOM 0 HB2 GLU B 49 -5.187 0.855 -0.335 1.00 0.00 H new ATOM 0 HB3 GLU B 49 -4.842 0.600 1.364 1.00 0.00 H new ATOM 0 HG2 GLU B 49 -4.723 3.114 1.634 1.00 0.00 H new ATOM 0 HG3 GLU B 49 -5.275 3.261 -0.023 1.00 0.00 H new ATOM 1878 N LYS B 50 -2.845 -0.506 -1.284 1.00 0.00 N ATOM 1879 CA LYS B 50 -2.438 -1.847 -1.679 1.00 0.00 C ATOM 1880 C LYS B 50 -0.935 -1.906 -1.931 1.00 0.00 C ATOM 1881 O LYS B 50 -0.295 -2.931 -1.690 1.00 0.00 O ATOM 1882 CB LYS B 50 -3.218 -2.296 -2.918 1.00 0.00 C ATOM 1883 CG LYS B 50 -4.722 -2.311 -2.696 1.00 0.00 C ATOM 1884 CD LYS B 50 -5.470 -2.904 -3.878 1.00 0.00 C ATOM 1885 CE LYS B 50 -6.974 -2.906 -3.636 1.00 0.00 C ATOM 1886 NZ LYS B 50 -7.348 -3.694 -2.430 1.00 0.00 N ATOM 0 H LYS B 50 -3.272 0.042 -2.031 1.00 0.00 H new ATOM 0 HA LYS B 50 -2.666 -2.532 -0.862 1.00 0.00 H new ATOM 0 HB2 LYS B 50 -2.985 -1.630 -3.749 1.00 0.00 H new ATOM 0 HB3 LYS B 50 -2.888 -3.294 -3.207 1.00 0.00 H new ATOM 0 HG2 LYS B 50 -4.949 -2.886 -1.798 1.00 0.00 H new ATOM 0 HG3 LYS B 50 -5.072 -1.294 -2.520 1.00 0.00 H new ATOM 0 HD2 LYS B 50 -5.245 -2.332 -4.778 1.00 0.00 H new ATOM 0 HD3 LYS B 50 -5.126 -3.923 -4.054 1.00 0.00 H new ATOM 0 HE2 LYS B 50 -7.323 -1.880 -3.520 1.00 0.00 H new ATOM 0 HE3 LYS B 50 -7.480 -3.318 -4.509 1.00 0.00 H new ATOM 0 HZ1 LYS B 50 -8.376 -3.854 -2.425 1.00 0.00 H new ATOM 0 HZ2 LYS B 50 -6.855 -4.610 -2.447 1.00 0.00 H new ATOM 0 HZ3 LYS B 50 -7.075 -3.170 -1.574 1.00 0.00 H new ATOM 1900 N ALA B 51 -0.374 -0.803 -2.405 1.00 0.00 N ATOM 1901 CA ALA B 51 1.062 -0.704 -2.623 1.00 0.00 C ATOM 1902 C ALA B 51 1.809 -0.713 -1.291 1.00 0.00 C ATOM 1903 O ALA B 51 2.826 -1.392 -1.141 1.00 0.00 O ATOM 1904 CB ALA B 51 1.395 0.555 -3.409 1.00 0.00 C ATOM 0 H ALA B 51 -0.895 0.040 -2.647 1.00 0.00 H new ATOM 0 HA ALA B 51 1.382 -1.570 -3.203 1.00 0.00 H new ATOM 0 HB1 ALA B 51 2.472 0.613 -3.563 1.00 0.00 H new ATOM 0 HB2 ALA B 51 0.891 0.525 -4.375 1.00 0.00 H new ATOM 0 HB3 ALA B 51 1.060 1.430 -2.853 1.00 0.00 H new ATOM 1910 N GLY B 52 1.288 0.033 -0.328 1.00 0.00 N ATOM 1911 CA GLY B 52 1.894 0.083 0.987 1.00 0.00 C ATOM 1912 C GLY B 52 2.354 1.478 1.356 1.00 0.00 C ATOM 1913 O GLY B 52 3.414 1.652 1.957 1.00 0.00 O ATOM 0 H GLY B 52 0.452 0.608 -0.435 1.00 0.00 H new ATOM 0 HA2 GLY B 52 1.177 -0.269 1.729 1.00 0.00 H new ATOM 0 HA3 GLY B 52 2.745 -0.598 1.019 1.00 0.00 H new ATOM 1917 N VAL B 53 1.554 2.471 0.995 1.00 0.00 N ATOM 1918 CA VAL B 53 1.893 3.863 1.248 1.00 0.00 C ATOM 1919 C VAL B 53 0.985 4.447 2.325 1.00 0.00 C ATOM 1920 O VAL B 53 -0.237 4.440 2.183 1.00 0.00 O ATOM 1921 CB VAL B 53 1.766 4.706 -0.038 1.00 0.00 C ATOM 1922 CG1 VAL B 53 2.251 6.127 0.190 1.00 0.00 C ATOM 1923 CG2 VAL B 53 2.529 4.055 -1.179 1.00 0.00 C ATOM 0 H VAL B 53 0.660 2.336 0.523 1.00 0.00 H new ATOM 0 HA VAL B 53 2.927 3.894 1.590 1.00 0.00 H new ATOM 0 HB VAL B 53 0.711 4.752 -0.309 1.00 0.00 H new ATOM 0 HG11 VAL B 53 2.150 6.698 -0.733 1.00 0.00 H new ATOM 0 HG12 VAL B 53 1.654 6.594 0.973 1.00 0.00 H new ATOM 0 HG13 VAL B 53 3.298 6.110 0.493 1.00 0.00 H new ATOM 0 HG21 VAL B 53 2.428 4.663 -2.078 1.00 0.00 H new ATOM 0 HG22 VAL B 53 3.583 3.973 -0.912 1.00 0.00 H new ATOM 0 HG23 VAL B 53 2.124 3.061 -1.367 1.00 0.00 H new ATOM 1933 N LYS B 54 1.583 4.947 3.400 1.00 0.00 N ATOM 1934 CA LYS B 54 0.812 5.508 4.503 1.00 0.00 C ATOM 1935 C LYS B 54 0.799 7.032 4.449 1.00 0.00 C ATOM 1936 O LYS B 54 -0.038 7.677 5.083 1.00 0.00 O ATOM 1937 CB LYS B 54 1.377 5.056 5.851 1.00 0.00 C ATOM 1938 CG LYS B 54 1.368 3.549 6.057 1.00 0.00 C ATOM 1939 CD LYS B 54 1.811 3.169 7.467 1.00 0.00 C ATOM 1940 CE LYS B 54 0.658 3.190 8.469 1.00 0.00 C ATOM 1941 NZ LYS B 54 0.009 4.524 8.577 1.00 0.00 N ATOM 0 H LYS B 54 2.594 4.976 3.531 1.00 0.00 H new ATOM 0 HA LYS B 54 -0.209 5.142 4.401 1.00 0.00 H new ATOM 0 HB2 LYS B 54 2.401 5.418 5.943 1.00 0.00 H new ATOM 0 HB3 LYS B 54 0.801 5.524 6.649 1.00 0.00 H new ATOM 0 HG2 LYS B 54 0.365 3.163 5.874 1.00 0.00 H new ATOM 0 HG3 LYS B 54 2.029 3.078 5.329 1.00 0.00 H new ATOM 0 HD2 LYS B 54 2.254 2.173 7.449 1.00 0.00 H new ATOM 0 HD3 LYS B 54 2.588 3.858 7.798 1.00 0.00 H new ATOM 0 HE2 LYS B 54 -0.087 2.452 8.173 1.00 0.00 H new ATOM 0 HE3 LYS B 54 1.030 2.892 9.449 1.00 0.00 H new ATOM 0 HZ1 LYS B 54 -0.500 4.590 9.482 1.00 0.00 H new ATOM 0 HZ2 LYS B 54 0.735 5.268 8.532 1.00 0.00 H new ATOM 0 HZ3 LYS B 54 -0.662 4.648 7.793 1.00 0.00 H new ATOM 1955 N SER B 55 1.731 7.613 3.714 1.00 0.00 N ATOM 1956 CA SER B 55 1.827 9.062 3.637 1.00 0.00 C ATOM 1957 C SER B 55 2.143 9.519 2.213 1.00 0.00 C ATOM 1958 O SER B 55 2.906 8.870 1.501 1.00 0.00 O ATOM 1959 CB SER B 55 2.900 9.554 4.613 1.00 0.00 C ATOM 1960 OG SER B 55 2.633 9.096 5.931 1.00 0.00 O ATOM 0 H SER B 55 2.428 7.109 3.165 1.00 0.00 H new ATOM 0 HA SER B 55 0.864 9.492 3.913 1.00 0.00 H new ATOM 0 HB2 SER B 55 3.880 9.200 4.292 1.00 0.00 H new ATOM 0 HB3 SER B 55 2.936 10.643 4.602 1.00 0.00 H new ATOM 0 HG SER B 55 3.331 9.420 6.538 1.00 0.00 H new ATOM 1966 N VAL B 56 1.540 10.630 1.798 1.00 0.00 N ATOM 1967 CA VAL B 56 1.809 11.201 0.484 1.00 0.00 C ATOM 1968 C VAL B 56 3.085 12.061 0.533 1.00 0.00 C ATOM 1969 O VAL B 56 3.654 12.237 1.618 1.00 0.00 O ATOM 1970 CB VAL B 56 0.596 11.985 -0.067 1.00 0.00 C ATOM 1971 CG1 VAL B 56 -0.513 11.028 -0.472 1.00 0.00 C ATOM 1972 CG2 VAL B 56 0.081 12.986 0.946 1.00 0.00 C ATOM 0 H VAL B 56 0.862 11.152 2.354 1.00 0.00 H new ATOM 0 HA VAL B 56 1.979 10.383 -0.216 1.00 0.00 H new ATOM 0 HB VAL B 56 0.927 12.537 -0.947 1.00 0.00 H new ATOM 0 HG11 VAL B 56 -1.360 11.595 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL B 56 -0.146 10.352 -1.245 1.00 0.00 H new ATOM 0 HG13 VAL B 56 -0.829 10.449 0.396 1.00 0.00 H new ATOM 0 HG21 VAL B 56 -0.772 13.521 0.528 1.00 0.00 H new ATOM 0 HG22 VAL B 56 -0.227 12.462 1.851 1.00 0.00 H new ATOM 0 HG23 VAL B 56 0.871 13.697 1.189 1.00 0.00 H new ATOM 1982 N PRO B 57 3.426 12.787 -0.558 1.00 0.00 N ATOM 1983 CA PRO B 57 4.768 12.884 -1.081 1.00 0.00 C ATOM 1984 C PRO B 57 5.760 11.846 -0.545 1.00 0.00 C ATOM 1985 O PRO B 57 6.472 12.047 0.445 1.00 0.00 O ATOM 1986 CB PRO B 57 5.060 14.332 -0.737 1.00 0.00 C ATOM 1987 CG PRO B 57 3.731 15.004 -1.039 1.00 0.00 C ATOM 1988 CD PRO B 57 2.689 13.884 -1.154 1.00 0.00 C ATOM 0 HA PRO B 57 4.869 12.647 -2.140 1.00 0.00 H new ATOM 0 HB2 PRO B 57 5.350 14.453 0.307 1.00 0.00 H new ATOM 0 HB3 PRO B 57 5.870 14.740 -1.342 1.00 0.00 H new ATOM 0 HG2 PRO B 57 3.462 15.704 -0.248 1.00 0.00 H new ATOM 0 HG3 PRO B 57 3.788 15.577 -1.965 1.00 0.00 H new ATOM 0 HD2 PRO B 57 1.771 14.112 -0.612 1.00 0.00 H new ATOM 0 HD3 PRO B 57 2.407 13.683 -2.187 1.00 0.00 H new ATOM 1996 N ALA B 58 5.773 10.717 -1.252 1.00 0.00 N ATOM 1997 CA ALA B 58 6.647 9.594 -0.957 1.00 0.00 C ATOM 1998 C ALA B 58 7.075 8.922 -2.261 1.00 0.00 C ATOM 1999 O ALA B 58 6.445 9.120 -3.302 1.00 0.00 O ATOM 2000 CB ALA B 58 5.934 8.595 -0.059 1.00 0.00 C ATOM 0 H ALA B 58 5.166 10.559 -2.056 1.00 0.00 H new ATOM 0 HA ALA B 58 7.532 9.957 -0.435 1.00 0.00 H new ATOM 0 HB1 ALA B 58 6.599 7.758 0.155 1.00 0.00 H new ATOM 0 HB2 ALA B 58 5.652 9.082 0.875 1.00 0.00 H new ATOM 0 HB3 ALA B 58 5.039 8.228 -0.562 1.00 0.00 H new ATOM 2006 N LEU B 59 8.133 8.128 -2.205 1.00 0.00 N ATOM 2007 CA LEU B 59 8.658 7.464 -3.391 1.00 0.00 C ATOM 2008 C LEU B 59 8.702 5.952 -3.189 1.00 0.00 C ATOM 2009 O LEU B 59 9.404 5.450 -2.313 1.00 0.00 O ATOM 2010 CB LEU B 59 10.057 7.999 -3.712 1.00 0.00 C ATOM 2011 CG LEU B 59 10.737 7.385 -4.938 1.00 0.00 C ATOM 2012 CD1 LEU B 59 9.920 7.642 -6.194 1.00 0.00 C ATOM 2013 CD2 LEU B 59 12.143 7.939 -5.096 1.00 0.00 C ATOM 0 H LEU B 59 8.648 7.926 -1.348 1.00 0.00 H new ATOM 0 HA LEU B 59 7.995 7.676 -4.230 1.00 0.00 H new ATOM 0 HB2 LEU B 59 9.989 9.077 -3.859 1.00 0.00 H new ATOM 0 HB3 LEU B 59 10.696 7.835 -2.845 1.00 0.00 H new ATOM 0 HG LEU B 59 10.802 6.307 -4.789 1.00 0.00 H new ATOM 0 HD11 LEU B 59 10.423 7.197 -7.052 1.00 0.00 H new ATOM 0 HD12 LEU B 59 8.931 7.198 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU B 59 9.820 8.716 -6.349 1.00 0.00 H new ATOM 0 HD21 LEU B 59 12.614 7.493 -5.972 1.00 0.00 H new ATOM 0 HD22 LEU B 59 12.096 9.021 -5.221 1.00 0.00 H new ATOM 0 HD23 LEU B 59 12.730 7.701 -4.209 1.00 0.00 H new ATOM 2025 N VAL B 60 7.942 5.232 -3.998 1.00 0.00 N ATOM 2026 CA VAL B 60 7.887 3.778 -3.915 1.00 0.00 C ATOM 2027 C VAL B 60 8.832 3.147 -4.932 1.00 0.00 C ATOM 2028 O VAL B 60 8.517 3.062 -6.119 1.00 0.00 O ATOM 2029 CB VAL B 60 6.453 3.259 -4.155 1.00 0.00 C ATOM 2030 CG1 VAL B 60 6.380 1.750 -3.977 1.00 0.00 C ATOM 2031 CG2 VAL B 60 5.475 3.956 -3.227 1.00 0.00 C ATOM 0 H VAL B 60 7.350 5.633 -4.725 1.00 0.00 H new ATOM 0 HA VAL B 60 8.197 3.495 -2.909 1.00 0.00 H new ATOM 0 HB VAL B 60 6.178 3.488 -5.184 1.00 0.00 H new ATOM 0 HG11 VAL B 60 5.359 1.412 -4.152 1.00 0.00 H new ATOM 0 HG12 VAL B 60 7.049 1.267 -4.689 1.00 0.00 H new ATOM 0 HG13 VAL B 60 6.680 1.488 -2.962 1.00 0.00 H new ATOM 0 HG21 VAL B 60 4.469 3.579 -3.409 1.00 0.00 H new ATOM 0 HG22 VAL B 60 5.754 3.761 -2.191 1.00 0.00 H new ATOM 0 HG23 VAL B 60 5.499 5.030 -3.413 1.00 0.00 H new ATOM 2041 N ILE B 61 9.989 2.707 -4.466 1.00 0.00 N ATOM 2042 CA ILE B 61 11.002 2.144 -5.345 1.00 0.00 C ATOM 2043 C ILE B 61 10.924 0.621 -5.363 1.00 0.00 C ATOM 2044 O ILE B 61 11.109 -0.029 -4.333 1.00 0.00 O ATOM 2045 CB ILE B 61 12.424 2.572 -4.920 1.00 0.00 C ATOM 2046 CG1 ILE B 61 12.538 4.099 -4.900 1.00 0.00 C ATOM 2047 CG2 ILE B 61 13.465 1.972 -5.859 1.00 0.00 C ATOM 2048 CD1 ILE B 61 13.887 4.603 -4.434 1.00 0.00 C ATOM 0 H ILE B 61 10.251 2.729 -3.481 1.00 0.00 H new ATOM 0 HA ILE B 61 10.803 2.529 -6.345 1.00 0.00 H new ATOM 0 HB ILE B 61 12.611 2.198 -3.914 1.00 0.00 H new ATOM 0 HG12 ILE B 61 12.343 4.482 -5.902 1.00 0.00 H new ATOM 0 HG13 ILE B 61 11.764 4.504 -4.248 1.00 0.00 H new ATOM 0 HG21 ILE B 61 14.461 2.284 -5.545 1.00 0.00 H new ATOM 0 HG22 ILE B 61 13.399 0.884 -5.828 1.00 0.00 H new ATOM 0 HG23 ILE B 61 13.280 2.318 -6.876 1.00 0.00 H new ATOM 0 HD11 ILE B 61 13.892 5.693 -4.446 1.00 0.00 H new ATOM 0 HD12 ILE B 61 14.077 4.251 -3.420 1.00 0.00 H new ATOM 0 HD13 ILE B 61 14.665 4.229 -5.100 1.00 0.00 H new ATOM 2060 N ASP B 62 10.605 0.068 -6.535 1.00 0.00 N ATOM 2061 CA ASP B 62 10.621 -1.384 -6.766 1.00 0.00 C ATOM 2062 C ASP B 62 9.580 -2.105 -5.900 1.00 0.00 C ATOM 2063 O ASP B 62 9.580 -3.332 -5.796 1.00 0.00 O ATOM 2064 CB ASP B 62 12.029 -1.948 -6.508 1.00 0.00 C ATOM 2065 CG ASP B 62 12.215 -3.359 -7.037 1.00 0.00 C ATOM 2066 OD1 ASP B 62 12.205 -3.543 -8.272 1.00 0.00 O ATOM 2067 OD2 ASP B 62 12.401 -4.289 -6.224 1.00 0.00 O ATOM 0 H ASP B 62 10.328 0.611 -7.353 1.00 0.00 H new ATOM 0 HA ASP B 62 10.356 -1.561 -7.808 1.00 0.00 H new ATOM 0 HB2 ASP B 62 12.766 -1.293 -6.972 1.00 0.00 H new ATOM 0 HB3 ASP B 62 12.226 -1.940 -5.436 1.00 0.00 H new ATOM 2072 N GLY B 63 8.682 -1.340 -5.297 1.00 0.00 N ATOM 2073 CA GLY B 63 7.635 -1.925 -4.482 1.00 0.00 C ATOM 2074 C GLY B 63 7.689 -1.456 -3.043 1.00 0.00 C ATOM 2075 O GLY B 63 6.685 -1.509 -2.330 1.00 0.00 O ATOM 0 H GLY B 63 8.659 -0.322 -5.357 1.00 0.00 H new ATOM 0 HA2 GLY B 63 6.664 -1.671 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY B 63 7.721 -3.011 -4.510 1.00 0.00 H new ATOM 2079 N ALA B 64 8.853 -0.988 -2.616 1.00 0.00 N ATOM 2080 CA ALA B 64 9.025 -0.501 -1.254 1.00 0.00 C ATOM 2081 C ALA B 64 8.760 0.998 -1.185 1.00 0.00 C ATOM 2082 O ALA B 64 9.342 1.776 -1.940 1.00 0.00 O ATOM 2083 CB ALA B 64 10.423 -0.827 -0.750 1.00 0.00 C ATOM 0 H ALA B 64 9.693 -0.935 -3.193 1.00 0.00 H new ATOM 0 HA ALA B 64 8.302 -1.003 -0.610 1.00 0.00 H new ATOM 0 HB1 ALA B 64 10.538 -0.457 0.269 1.00 0.00 H new ATOM 0 HB2 ALA B 64 10.572 -1.907 -0.763 1.00 0.00 H new ATOM 0 HB3 ALA B 64 11.162 -0.351 -1.394 1.00 0.00 H new ATOM 2089 N ALA B 65 7.873 1.398 -0.285 1.00 0.00 N ATOM 2090 CA ALA B 65 7.480 2.795 -0.166 1.00 0.00 C ATOM 2091 C ALA B 65 8.398 3.554 0.784 1.00 0.00 C ATOM 2092 O ALA B 65 8.484 3.236 1.971 1.00 0.00 O ATOM 2093 CB ALA B 65 6.037 2.894 0.302 1.00 0.00 C ATOM 0 H ALA B 65 7.411 0.773 0.375 1.00 0.00 H new ATOM 0 HA ALA B 65 7.569 3.254 -1.151 1.00 0.00 H new ATOM 0 HB1 ALA B 65 5.753 3.943 0.388 1.00 0.00 H new ATOM 0 HB2 ALA B 65 5.386 2.400 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA B 65 5.936 2.410 1.274 1.00 0.00 H new ATOM 2099 N PHE B 66 9.091 4.547 0.253 1.00 0.00 N ATOM 2100 CA PHE B 66 9.955 5.394 1.057 1.00 0.00 C ATOM 2101 C PHE B 66 9.393 6.804 1.105 1.00 0.00 C ATOM 2102 O PHE B 66 9.387 7.514 0.101 1.00 0.00 O ATOM 2103 CB PHE B 66 11.374 5.414 0.485 1.00 0.00 C ATOM 2104 CG PHE B 66 11.950 4.044 0.288 1.00 0.00 C ATOM 2105 CD1 PHE B 66 12.358 3.288 1.375 1.00 0.00 C ATOM 2106 CD2 PHE B 66 12.079 3.511 -0.983 1.00 0.00 C ATOM 2107 CE1 PHE B 66 12.879 2.023 1.196 1.00 0.00 C ATOM 2108 CE2 PHE B 66 12.601 2.247 -1.167 1.00 0.00 C ATOM 2109 CZ PHE B 66 13.001 1.504 -0.076 1.00 0.00 C ATOM 0 H PHE B 66 9.071 4.787 -0.738 1.00 0.00 H new ATOM 0 HA PHE B 66 9.997 4.989 2.068 1.00 0.00 H new ATOM 0 HB2 PHE B 66 11.366 5.939 -0.470 1.00 0.00 H new ATOM 0 HB3 PHE B 66 12.021 5.980 1.155 1.00 0.00 H new ATOM 0 HD1 PHE B 66 12.267 3.693 2.372 1.00 0.00 H new ATOM 0 HD2 PHE B 66 11.768 4.091 -1.840 1.00 0.00 H new ATOM 0 HE1 PHE B 66 13.191 1.440 2.050 1.00 0.00 H new ATOM 0 HE2 PHE B 66 12.696 1.840 -2.163 1.00 0.00 H new ATOM 0 HZ PHE B 66 13.410 0.515 -0.218 1.00 0.00 H new ATOM 2119 N HIS B 67 8.903 7.201 2.265 1.00 0.00 N ATOM 2120 CA HIS B 67 8.296 8.514 2.426 1.00 0.00 C ATOM 2121 C HIS B 67 9.376 9.587 2.420 1.00 0.00 C ATOM 2122 O HIS B 67 10.405 9.436 3.069 1.00 0.00 O ATOM 2123 CB HIS B 67 7.489 8.568 3.727 1.00 0.00 C ATOM 2124 CG HIS B 67 6.419 7.519 3.818 1.00 0.00 C ATOM 2125 ND1 HIS B 67 6.544 6.355 4.544 1.00 0.00 N ATOM 2126 CD2 HIS B 67 5.184 7.477 3.257 1.00 0.00 C ATOM 2127 CE1 HIS B 67 5.407 5.659 4.408 1.00 0.00 C ATOM 2128 NE2 HIS B 67 4.545 6.296 3.635 1.00 0.00 N ATOM 0 H HIS B 67 8.913 6.633 3.112 1.00 0.00 H new ATOM 0 HA HIS B 67 7.617 8.698 1.594 1.00 0.00 H new ATOM 0 HB2 HIS B 67 8.169 8.454 4.571 1.00 0.00 H new ATOM 0 HB3 HIS B 67 7.029 9.552 3.818 1.00 0.00 H new ATOM 0 HD1 HIS B 67 7.359 6.073 5.089 1.00 0.00 H new ATOM 0 HD2 HIS B 67 4.762 8.239 2.618 1.00 0.00 H new ATOM 0 HE1 HIS B 67 5.219 4.701 4.870 1.00 0.00 H new ATOM 2136 N ILE B 68 9.147 10.662 1.681 1.00 0.00 N ATOM 2137 CA ILE B 68 10.135 11.729 1.573 1.00 0.00 C ATOM 2138 C ILE B 68 9.826 12.783 2.638 1.00 0.00 C ATOM 2139 O ILE B 68 9.027 12.505 3.533 1.00 0.00 O ATOM 2140 CB ILE B 68 10.107 12.353 0.150 1.00 0.00 C ATOM 2141 CG1 ILE B 68 9.854 11.263 -0.896 1.00 0.00 C ATOM 2142 CG2 ILE B 68 11.416 13.073 -0.170 1.00 0.00 C ATOM 2143 CD1 ILE B 68 9.746 11.787 -2.310 1.00 0.00 C ATOM 0 H ILE B 68 8.291 10.820 1.149 1.00 0.00 H new ATOM 0 HA ILE B 68 11.136 11.329 1.735 1.00 0.00 H new ATOM 0 HB ILE B 68 9.299 13.084 0.123 1.00 0.00 H new ATOM 0 HG12 ILE B 68 10.663 10.533 -0.850 1.00 0.00 H new ATOM 0 HG13 ILE B 68 8.934 10.736 -0.643 1.00 0.00 H new ATOM 0 HG21 ILE B 68 11.362 13.498 -1.172 1.00 0.00 H new ATOM 0 HG22 ILE B 68 11.578 13.871 0.554 1.00 0.00 H new ATOM 0 HG23 ILE B 68 12.243 12.364 -0.120 1.00 0.00 H new ATOM 0 HD11 ILE B 68 9.567 10.957 -2.993 1.00 0.00 H new ATOM 0 HD12 ILE B 68 8.919 12.494 -2.374 1.00 0.00 H new ATOM 0 HD13 ILE B 68 10.674 12.289 -2.584 1.00 0.00 H new ATOM 2155 N ASN B 69 10.520 13.932 2.593 1.00 0.00 N ATOM 2156 CA ASN B 69 10.125 15.125 3.361 1.00 0.00 C ATOM 2157 C ASN B 69 8.630 15.118 3.609 1.00 0.00 C ATOM 2158 O ASN B 69 7.848 15.265 2.669 1.00 0.00 O ATOM 2159 CB ASN B 69 10.497 16.415 2.615 1.00 0.00 C ATOM 2160 CG ASN B 69 11.959 16.783 2.754 1.00 0.00 C ATOM 2161 OD1 ASN B 69 12.595 16.470 3.754 1.00 0.00 O ATOM 2162 ND2 ASN B 69 12.500 17.465 1.756 1.00 0.00 N ATOM 0 H ASN B 69 11.361 14.060 2.030 1.00 0.00 H new ATOM 0 HA ASN B 69 10.661 15.097 4.310 1.00 0.00 H new ATOM 0 HB2 ASN B 69 10.257 16.298 1.558 1.00 0.00 H new ATOM 0 HB3 ASN B 69 9.885 17.235 2.992 1.00 0.00 H new ATOM 0 HD21 ASN B 69 13.479 17.748 1.803 1.00 0.00 H new ATOM 0 HD22 ASN B 69 11.938 17.707 0.940 1.00 0.00 H new ATOM 2169 N PHE B 70 8.257 14.931 4.874 1.00 0.00 N ATOM 2170 CA PHE B 70 6.879 14.636 5.252 1.00 0.00 C ATOM 2171 C PHE B 70 5.891 15.583 4.589 1.00 0.00 C ATOM 2172 O PHE B 70 5.741 16.738 4.998 1.00 0.00 O ATOM 2173 CB PHE B 70 6.717 14.687 6.774 1.00 0.00 C ATOM 2174 CG PHE B 70 5.355 14.258 7.247 1.00 0.00 C ATOM 2175 CD1 PHE B 70 4.989 12.920 7.224 1.00 0.00 C ATOM 2176 CD2 PHE B 70 4.440 15.189 7.713 1.00 0.00 C ATOM 2177 CE1 PHE B 70 3.738 12.521 7.654 1.00 0.00 C ATOM 2178 CE2 PHE B 70 3.187 14.796 8.144 1.00 0.00 C ATOM 2179 CZ PHE B 70 2.836 13.460 8.115 1.00 0.00 C ATOM 0 H PHE B 70 8.901 14.980 5.663 1.00 0.00 H new ATOM 0 HA PHE B 70 6.657 13.628 4.901 1.00 0.00 H new ATOM 0 HB2 PHE B 70 7.471 14.047 7.233 1.00 0.00 H new ATOM 0 HB3 PHE B 70 6.909 15.703 7.118 1.00 0.00 H new ATOM 0 HD1 PHE B 70 5.691 12.181 6.866 1.00 0.00 H new ATOM 0 HD2 PHE B 70 4.709 16.234 7.740 1.00 0.00 H new ATOM 0 HE1 PHE B 70 3.466 11.476 7.630 1.00 0.00 H new ATOM 0 HE2 PHE B 70 2.483 15.532 8.503 1.00 0.00 H new ATOM 0 HZ PHE B 70 1.858 13.150 8.452 1.00 0.00 H new ATOM 2189 N GLY B 71 5.248 15.089 3.541 1.00 0.00 N ATOM 2190 CA GLY B 71 4.197 15.836 2.906 1.00 0.00 C ATOM 2191 C GLY B 71 2.920 15.719 3.693 1.00 0.00 C ATOM 2192 O GLY B 71 2.637 16.550 4.558 1.00 0.00 O ATOM 0 H GLY B 71 5.441 14.179 3.122 1.00 0.00 H new ATOM 0 HA2 GLY B 71 4.486 16.884 2.823 1.00 0.00 H new ATOM 0 HA3 GLY B 71 4.042 15.467 1.892 1.00 0.00 H new ATOM 2196 N ALA B 72 2.143 14.688 3.405 1.00 0.00 N ATOM 2197 CA ALA B 72 0.929 14.444 4.174 1.00 0.00 C ATOM 2198 C ALA B 72 0.769 12.957 4.417 1.00 0.00 C ATOM 2199 O ALA B 72 1.632 12.180 4.036 1.00 0.00 O ATOM 2200 CB ALA B 72 -0.294 15.030 3.480 1.00 0.00 C ATOM 0 H ALA B 72 2.324 14.016 2.659 1.00 0.00 H new ATOM 0 HA ALA B 72 1.017 14.947 5.137 1.00 0.00 H new ATOM 0 HB1 ALA B 72 -1.183 14.831 4.079 1.00 0.00 H new ATOM 0 HB2 ALA B 72 -0.167 16.107 3.366 1.00 0.00 H new ATOM 0 HB3 ALA B 72 -0.409 14.572 2.497 1.00 0.00 H new ATOM 2206 N GLY B 73 -0.326 12.560 5.038 1.00 0.00 N ATOM 2207 CA GLY B 73 -0.611 11.153 5.194 1.00 0.00 C ATOM 2208 C GLY B 73 -1.781 10.735 4.333 1.00 0.00 C ATOM 2209 O GLY B 73 -2.548 11.583 3.874 1.00 0.00 O ATOM 0 H GLY B 73 -1.024 13.187 5.438 1.00 0.00 H new ATOM 0 HA2 GLY B 73 0.269 10.569 4.925 1.00 0.00 H new ATOM 0 HA3 GLY B 73 -0.830 10.937 6.240 1.00 0.00 H new ATOM 2213 N ILE B 74 -1.925 9.440 4.097 1.00 0.00 N ATOM 2214 CA ILE B 74 -3.052 8.947 3.320 1.00 0.00 C ATOM 2215 C ILE B 74 -4.325 9.061 4.153 1.00 0.00 C ATOM 2216 O ILE B 74 -5.430 9.182 3.622 1.00 0.00 O ATOM 2217 CB ILE B 74 -2.841 7.487 2.849 1.00 0.00 C ATOM 2218 CG1 ILE B 74 -3.912 7.095 1.826 1.00 0.00 C ATOM 2219 CG2 ILE B 74 -2.857 6.525 4.029 1.00 0.00 C ATOM 2220 CD1 ILE B 74 -3.704 5.720 1.229 1.00 0.00 C ATOM 0 H ILE B 74 -1.284 8.719 4.428 1.00 0.00 H new ATOM 0 HA ILE B 74 -3.140 9.559 2.423 1.00 0.00 H new ATOM 0 HB ILE B 74 -1.863 7.423 2.373 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -4.890 7.130 2.305 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -3.924 7.833 1.024 1.00 0.00 H new ATOM 0 HG21 ILE B 74 -2.707 5.507 3.670 1.00 0.00 H new ATOM 0 HG22 ILE B 74 -2.058 6.787 4.723 1.00 0.00 H new ATOM 0 HG23 ILE B 74 -3.818 6.592 4.540 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -4.499 5.510 0.514 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -2.740 5.686 0.721 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -3.722 4.972 2.022 1.00 0.00 H new ATOM 2232 N ASP B 75 -4.140 9.070 5.470 1.00 0.00 N ATOM 2233 CA ASP B 75 -5.236 9.226 6.418 1.00 0.00 C ATOM 2234 C ASP B 75 -5.915 10.580 6.234 1.00 0.00 C ATOM 2235 O ASP B 75 -7.107 10.731 6.507 1.00 0.00 O ATOM 2236 CB ASP B 75 -4.715 9.102 7.853 1.00 0.00 C ATOM 2237 CG ASP B 75 -4.062 7.761 8.128 1.00 0.00 C ATOM 2238 OD1 ASP B 75 -2.868 7.591 7.795 1.00 0.00 O ATOM 2239 OD2 ASP B 75 -4.737 6.869 8.681 1.00 0.00 O ATOM 0 H ASP B 75 -3.225 8.969 5.909 1.00 0.00 H new ATOM 0 HA ASP B 75 -5.965 8.438 6.231 1.00 0.00 H new ATOM 0 HB2 ASP B 75 -3.994 9.897 8.043 1.00 0.00 H new ATOM 0 HB3 ASP B 75 -5.541 9.248 8.549 1.00 0.00 H new ATOM 2244 N ASP B 76 -5.146 11.557 5.766 1.00 0.00 N ATOM 2245 CA ASP B 76 -5.657 12.904 5.525 1.00 0.00 C ATOM 2246 C ASP B 76 -6.639 12.916 4.360 1.00 0.00 C ATOM 2247 O ASP B 76 -7.726 13.488 4.453 1.00 0.00 O ATOM 2248 CB ASP B 76 -4.510 13.872 5.222 1.00 0.00 C ATOM 2249 CG ASP B 76 -3.595 14.105 6.405 1.00 0.00 C ATOM 2250 OD1 ASP B 76 -2.628 13.333 6.577 1.00 0.00 O ATOM 2251 OD2 ASP B 76 -3.823 15.076 7.154 1.00 0.00 O ATOM 0 H ASP B 76 -4.157 11.440 5.544 1.00 0.00 H new ATOM 0 HA ASP B 76 -6.173 13.224 6.430 1.00 0.00 H new ATOM 0 HB2 ASP B 76 -3.924 13.481 4.390 1.00 0.00 H new ATOM 0 HB3 ASP B 76 -4.925 14.827 4.899 1.00 0.00 H new ATOM 2256 N LEU B 77 -6.251 12.278 3.263 1.00 0.00 N ATOM 2257 CA LEU B 77 -7.063 12.279 2.051 1.00 0.00 C ATOM 2258 C LEU B 77 -8.204 11.272 2.147 1.00 0.00 C ATOM 2259 O LEU B 77 -9.250 11.446 1.523 1.00 0.00 O ATOM 2260 CB LEU B 77 -6.196 11.968 0.828 1.00 0.00 C ATOM 2261 CG LEU B 77 -5.091 12.986 0.534 1.00 0.00 C ATOM 2262 CD1 LEU B 77 -4.279 12.557 -0.676 1.00 0.00 C ATOM 2263 CD2 LEU B 77 -5.685 14.370 0.314 1.00 0.00 C ATOM 0 H LEU B 77 -5.380 11.753 3.187 1.00 0.00 H new ATOM 0 HA LEU B 77 -7.494 13.274 1.942 1.00 0.00 H new ATOM 0 HB2 LEU B 77 -5.738 10.989 0.968 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -6.843 11.896 -0.046 1.00 0.00 H new ATOM 0 HG LEU B 77 -4.426 13.030 1.397 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -3.498 13.293 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -3.823 11.586 -0.482 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -4.932 12.484 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -4.885 15.081 0.106 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -6.373 14.341 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU B 77 -6.223 14.681 1.209 1.00 0.00 H new ATOM 2275 N LYS B 78 -7.996 10.220 2.928 1.00 0.00 N ATOM 2276 CA LYS B 78 -9.003 9.180 3.083 1.00 0.00 C ATOM 2277 C LYS B 78 -10.073 9.613 4.081 1.00 0.00 C ATOM 2278 O LYS B 78 -11.255 9.306 3.912 1.00 0.00 O ATOM 2279 CB LYS B 78 -8.347 7.875 3.542 1.00 0.00 C ATOM 2280 CG LYS B 78 -9.269 6.670 3.477 1.00 0.00 C ATOM 2281 CD LYS B 78 -8.549 5.400 3.900 1.00 0.00 C ATOM 2282 CE LYS B 78 -9.409 4.166 3.677 1.00 0.00 C ATOM 2283 NZ LYS B 78 -10.624 4.159 4.534 1.00 0.00 N ATOM 0 H LYS B 78 -7.141 10.065 3.462 1.00 0.00 H new ATOM 0 HA LYS B 78 -9.480 9.014 2.117 1.00 0.00 H new ATOM 0 HB2 LYS B 78 -7.470 7.683 2.924 1.00 0.00 H new ATOM 0 HB3 LYS B 78 -7.995 7.997 4.566 1.00 0.00 H new ATOM 0 HG2 LYS B 78 -10.131 6.834 4.123 1.00 0.00 H new ATOM 0 HG3 LYS B 78 -9.649 6.554 2.462 1.00 0.00 H new ATOM 0 HD2 LYS B 78 -7.621 5.303 3.337 1.00 0.00 H new ATOM 0 HD3 LYS B 78 -8.278 5.469 4.953 1.00 0.00 H new ATOM 0 HE2 LYS B 78 -9.706 4.118 2.629 1.00 0.00 H new ATOM 0 HE3 LYS B 78 -8.818 3.273 3.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 78 -11.159 3.283 4.370 1.00 0.00 H new ATOM 0 HZ2 LYS B 78 -10.344 4.212 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS B 78 -11.220 4.978 4.298 1.00 0.00 H new