USER MOD reduce.3.24.130724 H: found=0, std=0, add=894, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 897 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 38 THR OG1 : rot -160:sc= 0.118 USER MOD Set 1.2: A 40 ASN : amide:sc= 0.133 X(o=0.25,f=0.25) USER MOD Single : A 3 LYS NZ :NH3+ 167:sc= -0.0408 (180deg=-0.257) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -1.02 X(o=-1,f=-0.67) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -0.156 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -161:sc= -0.201 (180deg=-0.624) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 42:sc= 0.194 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 35 HIS : no HD1:sc=-0.00222 X(o=-0.0022,f=-0.005) USER MOD Single : A 36 THR OG1 : rot -34:sc= 0.299 USER MOD Single : A 43 LYS NZ :NH3+ 139:sc= 1.25 (180deg=0.258) USER MOD Single : A 44 THR OG1 : rot 75:sc= 1.13 USER MOD Single : A 48 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 49 THR OG1 : rot -60:sc= 1.24 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN :FLIP amide:sc= -1.84 F(o=-3.3!,f=-1.8) USER MOD Single : A 63 LYS NZ :NH3+ -163:sc= -2.7 (180deg=-2.98) USER MOD Single : A 64 TYR OH : rot 130:sc= -0.337 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -1.12 X(o=-1.1,f=-1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN :FLIP amide:sc= 0 F(o=-0.52,f=0) USER MOD Single : A 75 THR OG1 : rot -33:sc= 0.0294 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 167:sc= -0.0141 (180deg=-0.315) USER MOD Single : A 86 SER OG : rot 71:sc= 1.2 USER MOD Single : A 87 SER OG : rot 74:sc= 1.15 USER MOD Single : A 90 MET CE :methyl -125:sc= -3.21! (180deg=-5.33!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -135:sc= -0.617 (180deg=-2.03) USER MOD Single : A 102 LYS NZ :NH3+ -139:sc= 1.13 (180deg=0.173) USER MOD Single : A 104 THR OG1 : rot -80:sc= -0.136 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= -0.0157 X(o=-0.016,f=-0.018) USER MOD Single : A 112 TYR OH : rot 66:sc= 0.859 USER MOD Single : A 113 LYS NZ :NH3+ 155:sc= 0.623 (180deg=0.354) USER MOD Single : A 115 THR OG1 : rot 87:sc= 0.255 USER MOD ----------------------------------------------------------------- ATOM 18 N ILE A 2 4.247 -1.021 -1.635 1.00 0.00 N ATOM 19 CA ILE A 2 5.289 -2.004 -2.023 1.00 0.00 C ATOM 20 C ILE A 2 6.466 -1.990 -1.031 1.00 0.00 C ATOM 21 O ILE A 2 7.240 -1.041 -1.014 1.00 0.00 O ATOM 22 CB ILE A 2 5.831 -1.723 -3.476 1.00 0.00 C ATOM 23 CG1 ILE A 2 4.660 -1.731 -4.508 1.00 0.00 C ATOM 24 CG2 ILE A 2 6.951 -2.727 -3.884 1.00 0.00 C ATOM 25 CD1 ILE A 2 5.055 -1.372 -5.928 1.00 0.00 C ATOM 0 HA ILE A 2 4.819 -2.987 -2.004 1.00 0.00 H new ATOM 0 HB ILE A 2 6.281 -0.730 -3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 2 4.206 -2.722 -4.513 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.895 -1.032 -4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 2 7.296 -2.497 -4.892 1.00 0.00 H new ATOM 0 HG22 ILE A 2 7.785 -2.644 -3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 2 6.556 -3.743 -3.858 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.175 -1.405 -6.570 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.479 -0.368 -5.945 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.796 -2.085 -6.291 1.00 0.00 H new ATOM 37 N LYS A 3 6.563 -3.054 -0.223 1.00 0.00 N ATOM 38 CA LYS A 3 7.564 -3.187 0.854 1.00 0.00 C ATOM 39 C LYS A 3 8.991 -3.225 0.281 1.00 0.00 C ATOM 40 O LYS A 3 9.539 -4.297 -0.012 1.00 0.00 O ATOM 41 CB LYS A 3 7.285 -4.461 1.692 1.00 0.00 C ATOM 42 CG LYS A 3 5.825 -4.633 2.138 1.00 0.00 C ATOM 43 CD LYS A 3 5.345 -3.539 3.111 1.00 0.00 C ATOM 44 CE LYS A 3 3.898 -3.767 3.569 1.00 0.00 C ATOM 45 NZ LYS A 3 3.721 -5.087 4.233 1.00 0.00 N ATOM 0 H LYS A 3 5.942 -3.860 -0.297 1.00 0.00 H new ATOM 0 HA LYS A 3 7.484 -2.314 1.502 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.577 -5.334 1.108 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.921 -4.443 2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 3 5.182 -4.632 1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.712 -5.607 2.615 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.001 -3.516 3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.422 -2.565 2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.607 -2.974 4.258 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.232 -3.702 2.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.801 -5.111 4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 3.757 -5.842 3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 4.481 -5.231 4.928 1.00 0.00 H new ATOM 59 N PHE A 4 9.554 -2.034 0.094 1.00 0.00 N ATOM 60 CA PHE A 4 10.917 -1.852 -0.403 1.00 0.00 C ATOM 61 C PHE A 4 11.878 -1.941 0.794 1.00 0.00 C ATOM 62 O PHE A 4 12.196 -0.932 1.443 1.00 0.00 O ATOM 63 CB PHE A 4 11.041 -0.495 -1.168 1.00 0.00 C ATOM 64 CG PHE A 4 12.428 -0.214 -1.762 1.00 0.00 C ATOM 65 CD1 PHE A 4 12.957 -1.030 -2.761 1.00 0.00 C ATOM 66 CD2 PHE A 4 13.204 0.859 -1.311 1.00 0.00 C ATOM 67 CE1 PHE A 4 14.212 -0.785 -3.292 1.00 0.00 C ATOM 68 CE2 PHE A 4 14.458 1.099 -1.842 1.00 0.00 C ATOM 69 CZ PHE A 4 14.962 0.281 -2.831 1.00 0.00 C ATOM 0 H PHE A 4 9.071 -1.156 0.286 1.00 0.00 H new ATOM 0 HA PHE A 4 11.176 -2.632 -1.118 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.307 -0.480 -1.973 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.783 0.315 -0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.379 -1.866 -3.126 1.00 0.00 H new ATOM 0 HD2 PHE A 4 12.819 1.508 -0.538 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.605 -1.427 -4.067 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.045 1.930 -1.481 1.00 0.00 H new ATOM 0 HZ PHE A 4 15.941 0.473 -3.245 1.00 0.00 H new ATOM 79 N TYR A 5 12.275 -3.175 1.129 1.00 0.00 N ATOM 80 CA TYR A 5 13.233 -3.424 2.207 1.00 0.00 C ATOM 81 C TYR A 5 14.631 -2.982 1.754 1.00 0.00 C ATOM 82 O TYR A 5 14.997 -3.150 0.578 1.00 0.00 O ATOM 83 CB TYR A 5 13.220 -4.909 2.621 1.00 0.00 C ATOM 84 CG TYR A 5 11.996 -5.331 3.464 1.00 0.00 C ATOM 85 CD1 TYR A 5 11.999 -5.191 4.859 1.00 0.00 C ATOM 86 CD2 TYR A 5 10.865 -5.898 2.881 1.00 0.00 C ATOM 87 CE1 TYR A 5 10.929 -5.604 5.624 1.00 0.00 C ATOM 88 CE2 TYR A 5 9.794 -6.320 3.645 1.00 0.00 C ATOM 89 CZ TYR A 5 9.831 -6.170 5.012 1.00 0.00 C ATOM 90 OH TYR A 5 8.771 -6.603 5.776 1.00 0.00 O ATOM 0 H TYR A 5 11.943 -4.020 0.664 1.00 0.00 H new ATOM 0 HA TYR A 5 12.948 -2.843 3.084 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.254 -5.524 1.722 1.00 0.00 H new ATOM 0 HB3 TYR A 5 14.126 -5.123 3.188 1.00 0.00 H new ATOM 0 HD1 TYR A 5 12.857 -4.750 5.344 1.00 0.00 H new ATOM 0 HD2 TYR A 5 10.824 -6.010 1.808 1.00 0.00 H new ATOM 0 HE1 TYR A 5 10.951 -5.485 6.697 1.00 0.00 H new ATOM 0 HE2 TYR A 5 8.932 -6.766 3.171 1.00 0.00 H new ATOM 0 HH TYR A 5 8.078 -6.976 5.192 1.00 0.00 H new ATOM 100 N GLN A 6 15.389 -2.398 2.696 1.00 0.00 N ATOM 101 CA GLN A 6 16.732 -1.840 2.445 1.00 0.00 C ATOM 102 C GLN A 6 17.462 -1.614 3.779 1.00 0.00 C ATOM 103 O GLN A 6 16.838 -1.657 4.825 1.00 0.00 O ATOM 104 CB GLN A 6 16.602 -0.520 1.609 1.00 0.00 C ATOM 105 CG GLN A 6 15.570 0.517 2.144 1.00 0.00 C ATOM 106 CD GLN A 6 16.004 1.260 3.418 1.00 0.00 C ATOM 107 OE1 GLN A 6 17.184 1.561 3.613 1.00 0.00 O ATOM 108 NE2 GLN A 6 15.060 1.542 4.298 1.00 0.00 N ATOM 0 H GLN A 6 15.085 -2.298 3.665 1.00 0.00 H new ATOM 0 HA GLN A 6 17.329 -2.543 1.864 1.00 0.00 H new ATOM 0 HB2 GLN A 6 17.581 -0.042 1.564 1.00 0.00 H new ATOM 0 HB3 GLN A 6 16.329 -0.784 0.587 1.00 0.00 H new ATOM 0 HG2 GLN A 6 15.374 1.250 1.362 1.00 0.00 H new ATOM 0 HG3 GLN A 6 14.629 0.003 2.342 1.00 0.00 H new ATOM 0 HE21 GLN A 6 14.092 1.281 4.109 1.00 0.00 H new ATOM 0 HE22 GLN A 6 15.299 2.021 5.166 1.00 0.00 H new ATOM 117 N TYR A 7 18.782 -1.374 3.733 1.00 0.00 N ATOM 118 CA TYR A 7 19.564 -0.944 4.921 1.00 0.00 C ATOM 119 C TYR A 7 20.946 -0.443 4.484 1.00 0.00 C ATOM 120 O TYR A 7 21.482 -0.929 3.478 1.00 0.00 O ATOM 121 CB TYR A 7 19.713 -2.084 5.967 1.00 0.00 C ATOM 122 CG TYR A 7 20.153 -1.604 7.363 1.00 0.00 C ATOM 123 CD1 TYR A 7 19.234 -1.001 8.228 1.00 0.00 C ATOM 124 CD2 TYR A 7 21.466 -1.756 7.824 1.00 0.00 C ATOM 125 CE1 TYR A 7 19.602 -0.568 9.487 1.00 0.00 C ATOM 126 CE2 TYR A 7 21.839 -1.324 9.084 1.00 0.00 C ATOM 127 CZ TYR A 7 20.904 -0.733 9.913 1.00 0.00 C ATOM 128 OH TYR A 7 21.273 -0.308 11.173 1.00 0.00 O ATOM 0 H TYR A 7 19.340 -1.469 2.884 1.00 0.00 H new ATOM 0 HA TYR A 7 19.016 -0.133 5.400 1.00 0.00 H new ATOM 0 HB2 TYR A 7 18.760 -2.606 6.058 1.00 0.00 H new ATOM 0 HB3 TYR A 7 20.439 -2.808 5.598 1.00 0.00 H new ATOM 0 HD1 TYR A 7 18.212 -0.871 7.904 1.00 0.00 H new ATOM 0 HD2 TYR A 7 22.202 -2.219 7.184 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.874 -0.102 10.135 1.00 0.00 H new ATOM 0 HE2 TYR A 7 22.858 -1.448 9.419 1.00 0.00 H new ATOM 0 HH TYR A 7 22.223 -0.499 11.317 1.00 0.00 H new ATOM 213 N CYS A 13 20.008 0.867 -3.463 1.00 0.00 N ATOM 214 CA CYS A 13 18.770 1.395 -2.862 1.00 0.00 C ATOM 215 C CYS A 13 18.398 2.758 -3.463 1.00 0.00 C ATOM 216 O CYS A 13 17.221 3.041 -3.675 1.00 0.00 O ATOM 217 CB CYS A 13 18.934 1.518 -1.337 1.00 0.00 C ATOM 218 SG CYS A 13 17.504 2.221 -0.480 1.00 0.00 S ATOM 0 HA CYS A 13 17.963 0.696 -3.082 1.00 0.00 H new ATOM 0 HB2 CYS A 13 19.138 0.529 -0.926 1.00 0.00 H new ATOM 0 HB3 CYS A 13 19.807 2.136 -1.127 1.00 0.00 H new ATOM 0 HG CYS A 13 17.747 2.277 0.796 1.00 0.00 H new ATOM 224 N LYS A 14 19.426 3.571 -3.773 1.00 0.00 N ATOM 225 CA LYS A 14 19.234 4.919 -4.329 1.00 0.00 C ATOM 226 C LYS A 14 18.646 4.860 -5.748 1.00 0.00 C ATOM 227 O LYS A 14 17.663 5.538 -6.037 1.00 0.00 O ATOM 228 CB LYS A 14 20.568 5.720 -4.337 1.00 0.00 C ATOM 229 CG LYS A 14 21.228 5.921 -2.948 1.00 0.00 C ATOM 230 CD LYS A 14 20.269 6.525 -1.893 1.00 0.00 C ATOM 231 CE LYS A 14 19.674 7.893 -2.288 1.00 0.00 C ATOM 232 NZ LYS A 14 18.666 8.351 -1.304 1.00 0.00 N ATOM 0 H LYS A 14 20.404 3.312 -3.645 1.00 0.00 H new ATOM 0 HA LYS A 14 18.524 5.435 -3.683 1.00 0.00 H new ATOM 0 HB2 LYS A 14 21.277 5.207 -4.987 1.00 0.00 H new ATOM 0 HB3 LYS A 14 20.382 6.699 -4.778 1.00 0.00 H new ATOM 0 HG2 LYS A 14 21.596 4.961 -2.586 1.00 0.00 H new ATOM 0 HG3 LYS A 14 22.094 6.574 -3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.453 5.824 -1.717 1.00 0.00 H new ATOM 0 HD3 LYS A 14 20.806 6.633 -0.950 1.00 0.00 H new ATOM 0 HE2 LYS A 14 20.473 8.631 -2.362 1.00 0.00 H new ATOM 0 HE3 LYS A 14 19.215 7.820 -3.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.286 9.273 -1.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.892 7.658 -1.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 19.111 8.444 -0.369 1.00 0.00 H new ATOM 246 N LYS A 15 19.262 4.039 -6.615 1.00 0.00 N ATOM 247 CA LYS A 15 18.871 3.915 -8.038 1.00 0.00 C ATOM 248 C LYS A 15 17.535 3.170 -8.191 1.00 0.00 C ATOM 249 O LYS A 15 16.757 3.473 -9.095 1.00 0.00 O ATOM 250 CB LYS A 15 19.968 3.170 -8.829 1.00 0.00 C ATOM 251 CG LYS A 15 21.350 3.860 -8.828 1.00 0.00 C ATOM 252 CD LYS A 15 22.418 3.037 -9.582 1.00 0.00 C ATOM 253 CE LYS A 15 22.636 1.637 -8.975 1.00 0.00 C ATOM 254 NZ LYS A 15 23.606 0.841 -9.756 1.00 0.00 N ATOM 0 H LYS A 15 20.046 3.441 -6.354 1.00 0.00 H new ATOM 0 HA LYS A 15 18.751 4.923 -8.436 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.078 2.168 -8.415 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.637 3.054 -9.861 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.262 4.844 -9.288 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.675 4.016 -7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 15 22.119 2.933 -10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 15 23.362 3.582 -9.574 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.992 1.738 -7.950 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.684 1.108 -8.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 23.724 -0.093 -9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 23.255 0.723 -10.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 24.522 1.333 -9.776 1.00 0.00 H new ATOM 268 N ALA A 16 17.302 2.194 -7.299 1.00 0.00 N ATOM 269 CA ALA A 16 16.068 1.386 -7.281 1.00 0.00 C ATOM 270 C ALA A 16 14.873 2.258 -6.888 1.00 0.00 C ATOM 271 O ALA A 16 13.851 2.269 -7.572 1.00 0.00 O ATOM 272 CB ALA A 16 16.214 0.204 -6.313 1.00 0.00 C ATOM 0 H ALA A 16 17.965 1.941 -6.567 1.00 0.00 H new ATOM 0 HA ALA A 16 15.895 0.989 -8.281 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.295 -0.381 -6.312 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.045 -0.426 -6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 16 16.406 0.579 -5.308 1.00 0.00 H new ATOM 278 N ALA A 17 15.047 3.015 -5.795 1.00 0.00 N ATOM 279 CA ALA A 17 14.019 3.940 -5.278 1.00 0.00 C ATOM 280 C ALA A 17 13.800 5.129 -6.235 1.00 0.00 C ATOM 281 O ALA A 17 12.701 5.659 -6.309 1.00 0.00 O ATOM 282 CB ALA A 17 14.413 4.440 -3.883 1.00 0.00 C ATOM 0 H ALA A 17 15.904 3.006 -5.242 1.00 0.00 H new ATOM 0 HA ALA A 17 13.078 3.394 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 17 13.648 5.122 -3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 17 14.504 3.592 -3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.368 4.963 -3.940 1.00 0.00 H new ATOM 288 N LYS A 18 14.867 5.523 -6.952 1.00 0.00 N ATOM 289 CA LYS A 18 14.819 6.576 -7.998 1.00 0.00 C ATOM 290 C LYS A 18 13.987 6.091 -9.202 1.00 0.00 C ATOM 291 O LYS A 18 13.172 6.833 -9.733 1.00 0.00 O ATOM 292 CB LYS A 18 16.269 6.939 -8.441 1.00 0.00 C ATOM 293 CG LYS A 18 16.421 7.917 -9.642 1.00 0.00 C ATOM 294 CD LYS A 18 15.885 9.364 -9.379 1.00 0.00 C ATOM 295 CE LYS A 18 14.578 9.681 -10.141 1.00 0.00 C ATOM 296 NZ LYS A 18 14.723 9.506 -11.615 1.00 0.00 N ATOM 0 H LYS A 18 15.796 5.121 -6.826 1.00 0.00 H new ATOM 0 HA LYS A 18 14.342 7.468 -7.591 1.00 0.00 H new ATOM 0 HB2 LYS A 18 16.785 7.373 -7.585 1.00 0.00 H new ATOM 0 HB3 LYS A 18 16.788 6.014 -8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 18 17.475 7.978 -9.912 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.896 7.500 -10.501 1.00 0.00 H new ATOM 0 HD2 LYS A 18 15.714 9.492 -8.310 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.650 10.085 -9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.782 9.031 -9.777 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.276 10.706 -9.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.962 10.021 -12.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 15.644 9.880 -11.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.664 8.495 -11.852 1.00 0.00 H new ATOM 310 N PHE A 19 14.205 4.828 -9.593 1.00 0.00 N ATOM 311 CA PHE A 19 13.512 4.168 -10.723 1.00 0.00 C ATOM 312 C PHE A 19 11.998 4.089 -10.436 1.00 0.00 C ATOM 313 O PHE A 19 11.155 4.482 -11.262 1.00 0.00 O ATOM 314 CB PHE A 19 14.123 2.751 -10.909 1.00 0.00 C ATOM 315 CG PHE A 19 13.693 2.003 -12.164 1.00 0.00 C ATOM 316 CD1 PHE A 19 14.346 2.222 -13.373 1.00 0.00 C ATOM 317 CD2 PHE A 19 12.663 1.069 -12.136 1.00 0.00 C ATOM 318 CE1 PHE A 19 13.986 1.532 -14.510 1.00 0.00 C ATOM 319 CE2 PHE A 19 12.303 0.382 -13.278 1.00 0.00 C ATOM 320 CZ PHE A 19 12.964 0.611 -14.464 1.00 0.00 C ATOM 0 H PHE A 19 14.879 4.220 -9.128 1.00 0.00 H new ATOM 0 HA PHE A 19 13.645 4.740 -11.641 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.209 2.843 -10.918 1.00 0.00 H new ATOM 0 HB3 PHE A 19 13.861 2.146 -10.041 1.00 0.00 H new ATOM 0 HD1 PHE A 19 15.148 2.944 -13.421 1.00 0.00 H new ATOM 0 HD2 PHE A 19 12.139 0.879 -11.211 1.00 0.00 H new ATOM 0 HE1 PHE A 19 14.506 1.714 -15.439 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.499 -0.338 -13.241 1.00 0.00 H new ATOM 0 HZ PHE A 19 12.682 0.070 -15.355 1.00 0.00 H new ATOM 330 N LEU A 20 11.692 3.612 -9.221 1.00 0.00 N ATOM 331 CA LEU A 20 10.322 3.468 -8.719 1.00 0.00 C ATOM 332 C LEU A 20 9.644 4.852 -8.586 1.00 0.00 C ATOM 333 O LEU A 20 8.512 5.028 -9.021 1.00 0.00 O ATOM 334 CB LEU A 20 10.341 2.687 -7.373 1.00 0.00 C ATOM 335 CG LEU A 20 10.847 1.203 -7.463 1.00 0.00 C ATOM 336 CD1 LEU A 20 11.045 0.581 -6.060 1.00 0.00 C ATOM 337 CD2 LEU A 20 9.900 0.335 -8.325 1.00 0.00 C ATOM 0 H LEU A 20 12.401 3.312 -8.552 1.00 0.00 H new ATOM 0 HA LEU A 20 9.728 2.894 -9.430 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.974 3.227 -6.668 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.333 2.685 -6.959 1.00 0.00 H new ATOM 0 HG LEU A 20 11.820 1.225 -7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.396 -0.446 -6.163 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.782 1.162 -5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.097 0.588 -5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.279 -0.686 -8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.904 0.334 -7.883 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.849 0.744 -9.334 1.00 0.00 H new ATOM 349 N ASP A 21 10.379 5.844 -8.045 1.00 0.00 N ATOM 350 CA ASP A 21 9.903 7.251 -7.929 1.00 0.00 C ATOM 351 C ASP A 21 9.601 7.853 -9.316 1.00 0.00 C ATOM 352 O ASP A 21 8.592 8.545 -9.500 1.00 0.00 O ATOM 353 CB ASP A 21 10.965 8.119 -7.188 1.00 0.00 C ATOM 354 CG ASP A 21 10.690 9.641 -7.232 1.00 0.00 C ATOM 355 OD1 ASP A 21 9.791 10.116 -6.502 1.00 0.00 O ATOM 356 OD2 ASP A 21 11.368 10.373 -7.998 1.00 0.00 O ATOM 0 H ASP A 21 11.318 5.700 -7.675 1.00 0.00 H new ATOM 0 HA ASP A 21 8.978 7.248 -7.352 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.014 7.801 -6.147 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.944 7.926 -7.626 1.00 0.00 H new ATOM 361 N GLU A 22 10.481 7.545 -10.283 1.00 0.00 N ATOM 362 CA GLU A 22 10.436 8.094 -11.651 1.00 0.00 C ATOM 363 C GLU A 22 9.151 7.664 -12.378 1.00 0.00 C ATOM 364 O GLU A 22 8.478 8.483 -13.014 1.00 0.00 O ATOM 365 CB GLU A 22 11.700 7.647 -12.434 1.00 0.00 C ATOM 366 CG GLU A 22 11.759 8.115 -13.901 1.00 0.00 C ATOM 367 CD GLU A 22 13.117 7.835 -14.562 1.00 0.00 C ATOM 368 OE1 GLU A 22 14.039 8.673 -14.428 1.00 0.00 O ATOM 369 OE2 GLU A 22 13.277 6.767 -15.193 1.00 0.00 O ATOM 0 H GLU A 22 11.256 6.898 -10.135 1.00 0.00 H new ATOM 0 HA GLU A 22 10.426 9.182 -11.594 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.582 8.021 -11.914 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.755 6.559 -12.413 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.974 7.615 -14.469 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.553 9.184 -13.945 1.00 0.00 H new ATOM 376 N TYR A 23 8.806 6.378 -12.249 1.00 0.00 N ATOM 377 CA TYR A 23 7.579 5.811 -12.851 1.00 0.00 C ATOM 378 C TYR A 23 6.325 6.025 -11.963 1.00 0.00 C ATOM 379 O TYR A 23 5.242 5.525 -12.296 1.00 0.00 O ATOM 380 CB TYR A 23 7.799 4.311 -13.142 1.00 0.00 C ATOM 381 CG TYR A 23 8.694 4.018 -14.358 1.00 0.00 C ATOM 382 CD1 TYR A 23 10.088 4.015 -14.262 1.00 0.00 C ATOM 383 CD2 TYR A 23 8.129 3.706 -15.604 1.00 0.00 C ATOM 384 CE1 TYR A 23 10.882 3.713 -15.354 1.00 0.00 C ATOM 385 CE2 TYR A 23 8.919 3.405 -16.694 1.00 0.00 C ATOM 386 CZ TYR A 23 10.292 3.405 -16.565 1.00 0.00 C ATOM 387 OH TYR A 23 11.077 3.095 -17.653 1.00 0.00 O ATOM 0 H TYR A 23 9.361 5.699 -11.729 1.00 0.00 H new ATOM 0 HA TYR A 23 7.386 6.342 -13.783 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.241 3.845 -12.262 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.829 3.839 -13.299 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.554 4.253 -13.317 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.054 3.701 -15.712 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.958 3.718 -15.260 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.464 3.170 -17.645 1.00 0.00 H new ATOM 0 HH TYR A 23 10.505 2.902 -18.425 1.00 0.00 H new ATOM 397 N GLY A 24 6.477 6.765 -10.842 1.00 0.00 N ATOM 398 CA GLY A 24 5.351 7.087 -9.947 1.00 0.00 C ATOM 399 C GLY A 24 4.854 5.882 -9.144 1.00 0.00 C ATOM 400 O GLY A 24 3.707 5.845 -8.692 1.00 0.00 O ATOM 0 H GLY A 24 7.372 7.149 -10.538 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.657 7.874 -9.257 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.527 7.485 -10.539 1.00 0.00 H new ATOM 404 N VAL A 25 5.730 4.885 -9.005 1.00 0.00 N ATOM 405 CA VAL A 25 5.473 3.641 -8.265 1.00 0.00 C ATOM 406 C VAL A 25 5.676 3.883 -6.758 1.00 0.00 C ATOM 407 O VAL A 25 6.791 4.214 -6.322 1.00 0.00 O ATOM 408 CB VAL A 25 6.442 2.503 -8.764 1.00 0.00 C ATOM 409 CG1 VAL A 25 6.193 1.167 -8.040 1.00 0.00 C ATOM 410 CG2 VAL A 25 6.348 2.328 -10.292 1.00 0.00 C ATOM 0 H VAL A 25 6.664 4.918 -9.414 1.00 0.00 H new ATOM 0 HA VAL A 25 4.444 3.327 -8.442 1.00 0.00 H new ATOM 0 HB VAL A 25 7.456 2.817 -8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.885 0.414 -8.418 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.349 1.299 -6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.168 0.841 -8.220 1.00 0.00 H new ATOM 0 HG21 VAL A 25 7.027 1.537 -10.610 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.327 2.062 -10.566 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.624 3.261 -10.783 1.00 0.00 H new ATOM 420 N SER A 26 4.591 3.740 -5.981 1.00 0.00 N ATOM 421 CA SER A 26 4.621 3.913 -4.525 1.00 0.00 C ATOM 422 C SER A 26 5.365 2.743 -3.848 1.00 0.00 C ATOM 423 O SER A 26 4.834 1.632 -3.721 1.00 0.00 O ATOM 424 CB SER A 26 3.186 4.054 -3.973 1.00 0.00 C ATOM 425 OG SER A 26 2.349 2.990 -4.407 1.00 0.00 O ATOM 0 H SER A 26 3.669 3.501 -6.347 1.00 0.00 H new ATOM 0 HA SER A 26 5.166 4.828 -4.296 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.215 4.073 -2.884 1.00 0.00 H new ATOM 0 HB3 SER A 26 2.763 5.005 -4.297 1.00 0.00 H new ATOM 0 HG SER A 26 2.840 2.144 -4.350 1.00 0.00 H new ATOM 431 N TYR A 27 6.619 3.010 -3.474 1.00 0.00 N ATOM 432 CA TYR A 27 7.475 2.070 -2.735 1.00 0.00 C ATOM 433 C TYR A 27 7.492 2.455 -1.243 1.00 0.00 C ATOM 434 O TYR A 27 7.148 3.591 -0.877 1.00 0.00 O ATOM 435 CB TYR A 27 8.911 2.048 -3.332 1.00 0.00 C ATOM 436 CG TYR A 27 9.649 3.402 -3.325 1.00 0.00 C ATOM 437 CD1 TYR A 27 9.439 4.345 -4.334 1.00 0.00 C ATOM 438 CD2 TYR A 27 10.548 3.734 -2.309 1.00 0.00 C ATOM 439 CE1 TYR A 27 10.091 5.562 -4.329 1.00 0.00 C ATOM 440 CE2 TYR A 27 11.201 4.951 -2.299 1.00 0.00 C ATOM 441 CZ TYR A 27 10.970 5.863 -3.311 1.00 0.00 C ATOM 442 OH TYR A 27 11.629 7.077 -3.306 1.00 0.00 O ATOM 0 H TYR A 27 7.078 3.898 -3.678 1.00 0.00 H new ATOM 0 HA TYR A 27 7.069 1.063 -2.829 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.507 1.325 -2.775 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.854 1.689 -4.360 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.752 4.117 -5.135 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.736 3.025 -1.516 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.913 6.276 -5.120 1.00 0.00 H new ATOM 0 HE2 TYR A 27 11.890 5.189 -1.502 1.00 0.00 H new ATOM 0 HH TYR A 27 12.210 7.130 -2.519 1.00 0.00 H new ATOM 452 N GLU A 28 7.916 1.516 -0.394 1.00 0.00 N ATOM 453 CA GLU A 28 7.938 1.683 1.067 1.00 0.00 C ATOM 454 C GLU A 28 9.359 1.375 1.570 1.00 0.00 C ATOM 455 O GLU A 28 9.659 0.215 1.845 1.00 0.00 O ATOM 456 CB GLU A 28 6.892 0.731 1.718 1.00 0.00 C ATOM 457 CG GLU A 28 6.748 0.866 3.246 1.00 0.00 C ATOM 458 CD GLU A 28 5.590 0.035 3.828 1.00 0.00 C ATOM 459 OE1 GLU A 28 4.458 0.114 3.290 1.00 0.00 O ATOM 460 OE2 GLU A 28 5.792 -0.677 4.839 1.00 0.00 O ATOM 0 H GLU A 28 8.259 0.606 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 28 7.676 2.705 1.341 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.921 0.916 1.259 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.165 -0.298 1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.680 0.558 3.720 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.594 1.915 3.497 1.00 0.00 H new ATOM 467 N PRO A 29 10.278 2.395 1.630 1.00 0.00 N ATOM 468 CA PRO A 29 11.684 2.176 2.024 1.00 0.00 C ATOM 469 C PRO A 29 11.824 1.908 3.541 1.00 0.00 C ATOM 470 O PRO A 29 12.110 2.812 4.335 1.00 0.00 O ATOM 471 CB PRO A 29 12.397 3.474 1.560 1.00 0.00 C ATOM 472 CG PRO A 29 11.331 4.531 1.604 1.00 0.00 C ATOM 473 CD PRO A 29 10.015 3.827 1.315 1.00 0.00 C ATOM 0 HA PRO A 29 12.124 1.288 1.570 1.00 0.00 H new ATOM 0 HB2 PRO A 29 13.230 3.724 2.217 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.805 3.364 0.555 1.00 0.00 H new ATOM 0 HG2 PRO A 29 11.306 5.016 2.580 1.00 0.00 H new ATOM 0 HG3 PRO A 29 11.525 5.309 0.866 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.208 4.226 1.930 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.717 3.956 0.275 1.00 0.00 H new ATOM 481 N ILE A 30 11.596 0.644 3.930 1.00 0.00 N ATOM 482 CA ILE A 30 11.673 0.186 5.334 1.00 0.00 C ATOM 483 C ILE A 30 12.951 -0.638 5.542 1.00 0.00 C ATOM 484 O ILE A 30 13.427 -1.310 4.626 1.00 0.00 O ATOM 485 CB ILE A 30 10.389 -0.637 5.764 1.00 0.00 C ATOM 486 CG1 ILE A 30 10.004 -1.706 4.679 1.00 0.00 C ATOM 487 CG2 ILE A 30 9.202 0.319 6.067 1.00 0.00 C ATOM 488 CD1 ILE A 30 8.815 -2.590 5.029 1.00 0.00 C ATOM 0 H ILE A 30 11.350 -0.099 3.276 1.00 0.00 H new ATOM 0 HA ILE A 30 11.708 1.067 5.974 1.00 0.00 H new ATOM 0 HB ILE A 30 10.626 -1.179 6.679 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.788 -1.189 3.744 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.869 -2.344 4.498 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.330 -0.265 6.360 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.476 0.994 6.878 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.966 0.900 5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.632 -3.292 4.216 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.029 -3.142 5.944 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.931 -1.969 5.178 1.00 0.00 H new ATOM 500 N ASP A 31 13.523 -0.536 6.746 1.00 0.00 N ATOM 501 CA ASP A 31 14.803 -1.178 7.082 1.00 0.00 C ATOM 502 C ASP A 31 14.626 -2.687 7.277 1.00 0.00 C ATOM 503 O ASP A 31 13.777 -3.112 8.048 1.00 0.00 O ATOM 504 CB ASP A 31 15.417 -0.528 8.334 1.00 0.00 C ATOM 505 CG ASP A 31 15.849 0.927 8.078 1.00 0.00 C ATOM 506 OD1 ASP A 31 16.912 1.132 7.463 1.00 0.00 O ATOM 507 OD2 ASP A 31 15.122 1.872 8.459 1.00 0.00 O ATOM 0 H ASP A 31 13.114 -0.007 7.516 1.00 0.00 H new ATOM 0 HA ASP A 31 15.489 -1.030 6.248 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.692 -0.553 9.147 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.280 -1.110 8.658 1.00 0.00 H new ATOM 512 N ILE A 32 15.459 -3.480 6.583 1.00 0.00 N ATOM 513 CA ILE A 32 15.354 -4.952 6.541 1.00 0.00 C ATOM 514 C ILE A 32 15.664 -5.598 7.914 1.00 0.00 C ATOM 515 O ILE A 32 15.063 -6.610 8.261 1.00 0.00 O ATOM 516 CB ILE A 32 16.299 -5.551 5.420 1.00 0.00 C ATOM 517 CG1 ILE A 32 16.111 -7.098 5.237 1.00 0.00 C ATOM 518 CG2 ILE A 32 17.777 -5.205 5.687 1.00 0.00 C ATOM 519 CD1 ILE A 32 14.816 -7.514 4.577 1.00 0.00 C ATOM 0 H ILE A 32 16.233 -3.115 6.029 1.00 0.00 H new ATOM 0 HA ILE A 32 14.320 -5.192 6.294 1.00 0.00 H new ATOM 0 HB ILE A 32 16.002 -5.081 4.483 1.00 0.00 H new ATOM 0 HG12 ILE A 32 16.942 -7.482 4.645 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.171 -7.574 6.216 1.00 0.00 H new ATOM 0 HG21 ILE A 32 18.398 -5.631 4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 32 17.900 -4.122 5.701 1.00 0.00 H new ATOM 0 HG23 ILE A 32 18.079 -5.617 6.650 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.781 -8.600 4.496 1.00 0.00 H new ATOM 0 HD12 ILE A 32 13.974 -7.168 5.177 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.757 -7.074 3.581 1.00 0.00 H new ATOM 531 N VAL A 33 16.597 -4.998 8.689 1.00 0.00 N ATOM 532 CA VAL A 33 17.042 -5.565 9.997 1.00 0.00 C ATOM 533 C VAL A 33 16.304 -4.915 11.187 1.00 0.00 C ATOM 534 O VAL A 33 16.237 -5.495 12.281 1.00 0.00 O ATOM 535 CB VAL A 33 18.603 -5.434 10.180 1.00 0.00 C ATOM 536 CG1 VAL A 33 19.040 -3.969 10.383 1.00 0.00 C ATOM 537 CG2 VAL A 33 19.144 -6.355 11.310 1.00 0.00 C ATOM 0 H VAL A 33 17.059 -4.124 8.438 1.00 0.00 H new ATOM 0 HA VAL A 33 16.786 -6.624 9.984 1.00 0.00 H new ATOM 0 HB VAL A 33 19.053 -5.778 9.249 1.00 0.00 H new ATOM 0 HG11 VAL A 33 20.122 -3.926 10.505 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.749 -3.379 9.514 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.558 -3.566 11.274 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.223 -6.229 11.397 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.670 -6.089 12.255 1.00 0.00 H new ATOM 0 HG23 VAL A 33 18.918 -7.394 11.071 1.00 0.00 H new ATOM 547 N GLN A 34 15.754 -3.711 10.967 1.00 0.00 N ATOM 548 CA GLN A 34 15.006 -2.957 11.997 1.00 0.00 C ATOM 549 C GLN A 34 13.514 -3.351 11.955 1.00 0.00 C ATOM 550 O GLN A 34 12.812 -3.303 12.969 1.00 0.00 O ATOM 551 CB GLN A 34 15.174 -1.437 11.742 1.00 0.00 C ATOM 552 CG GLN A 34 14.615 -0.513 12.844 1.00 0.00 C ATOM 553 CD GLN A 34 14.579 0.969 12.441 1.00 0.00 C ATOM 554 OE1 GLN A 34 15.391 1.430 11.643 1.00 0.00 O ATOM 555 NE2 GLN A 34 13.647 1.717 13.004 1.00 0.00 N ATOM 0 H GLN A 34 15.813 -3.228 10.070 1.00 0.00 H new ATOM 0 HA GLN A 34 15.398 -3.197 12.985 1.00 0.00 H new ATOM 0 HB2 GLN A 34 16.235 -1.223 11.616 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.685 -1.188 10.800 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.606 -0.836 13.101 1.00 0.00 H new ATOM 0 HG3 GLN A 34 15.223 -0.623 13.742 1.00 0.00 H new ATOM 0 HE21 GLN A 34 12.988 1.301 13.663 1.00 0.00 H new ATOM 0 HE22 GLN A 34 13.586 2.710 12.780 1.00 0.00 H new ATOM 564 N HIS A 35 13.055 -3.736 10.751 1.00 0.00 N ATOM 565 CA HIS A 35 11.657 -4.131 10.477 1.00 0.00 C ATOM 566 C HIS A 35 11.622 -5.554 9.892 1.00 0.00 C ATOM 567 O HIS A 35 10.812 -5.842 9.000 1.00 0.00 O ATOM 568 CB HIS A 35 10.995 -3.111 9.496 1.00 0.00 C ATOM 569 CG HIS A 35 10.792 -1.730 10.063 1.00 0.00 C ATOM 570 ND1 HIS A 35 9.582 -1.294 10.555 1.00 0.00 N ATOM 571 CD2 HIS A 35 11.650 -0.691 10.210 1.00 0.00 C ATOM 572 CE1 HIS A 35 9.702 -0.054 10.983 1.00 0.00 C ATOM 573 NE2 HIS A 35 10.947 0.334 10.785 1.00 0.00 N ATOM 0 H HIS A 35 13.653 -3.783 9.926 1.00 0.00 H new ATOM 0 HA HIS A 35 11.092 -4.126 11.409 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.614 -3.034 8.602 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.029 -3.505 9.182 1.00 0.00 H new ATOM 0 HD2 HIS A 35 12.692 -0.675 9.927 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.916 0.543 11.421 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.326 1.251 11.022 1.00 0.00 H new ATOM 582 N THR A 36 12.496 -6.446 10.423 1.00 0.00 N ATOM 583 CA THR A 36 12.584 -7.843 9.964 1.00 0.00 C ATOM 584 C THR A 36 11.244 -8.568 10.216 1.00 0.00 C ATOM 585 O THR A 36 10.823 -8.665 11.375 1.00 0.00 O ATOM 586 CB THR A 36 13.734 -8.641 10.684 1.00 0.00 C ATOM 587 OG1 THR A 36 14.894 -7.815 10.806 1.00 0.00 O ATOM 588 CG2 THR A 36 14.104 -9.927 9.909 1.00 0.00 C ATOM 0 H THR A 36 13.149 -6.215 11.172 1.00 0.00 H new ATOM 0 HA THR A 36 12.809 -7.811 8.898 1.00 0.00 H new ATOM 0 HB THR A 36 13.372 -8.927 11.671 1.00 0.00 H new ATOM 0 HG1 THR A 36 14.959 -7.225 10.026 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.901 -10.452 10.435 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.229 -10.573 9.838 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.443 -9.663 8.907 1.00 0.00 H new ATOM 596 N PRO A 37 10.541 -9.051 9.146 1.00 0.00 N ATOM 597 CA PRO A 37 9.269 -9.782 9.302 1.00 0.00 C ATOM 598 C PRO A 37 9.500 -11.205 9.857 1.00 0.00 C ATOM 599 O PRO A 37 10.633 -11.713 9.834 1.00 0.00 O ATOM 600 CB PRO A 37 8.694 -9.784 7.868 1.00 0.00 C ATOM 601 CG PRO A 37 9.891 -9.741 6.972 1.00 0.00 C ATOM 602 CD PRO A 37 10.937 -8.927 7.709 1.00 0.00 C ATOM 0 HA PRO A 37 8.588 -9.327 10.021 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.095 -10.676 7.684 1.00 0.00 H new ATOM 0 HB3 PRO A 37 8.045 -8.924 7.702 1.00 0.00 H new ATOM 0 HG2 PRO A 37 10.256 -10.746 6.761 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.645 -9.284 6.014 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.941 -9.315 7.536 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.937 -7.887 7.383 1.00 0.00 H new ATOM 610 N THR A 38 8.427 -11.832 10.371 1.00 0.00 N ATOM 611 CA THR A 38 8.515 -13.163 11.000 1.00 0.00 C ATOM 612 C THR A 38 8.551 -14.273 9.936 1.00 0.00 C ATOM 613 O THR A 38 8.393 -14.013 8.731 1.00 0.00 O ATOM 614 CB THR A 38 7.328 -13.441 11.996 1.00 0.00 C ATOM 615 OG1 THR A 38 6.099 -13.650 11.284 1.00 0.00 O ATOM 616 CG2 THR A 38 7.132 -12.302 13.005 1.00 0.00 C ATOM 0 H THR A 38 7.486 -11.438 10.363 1.00 0.00 H new ATOM 0 HA THR A 38 9.444 -13.168 11.571 1.00 0.00 H new ATOM 0 HB THR A 38 7.596 -14.343 12.545 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.342 -13.505 11.889 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.302 -12.543 13.669 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.041 -12.176 13.593 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.914 -11.377 12.472 1.00 0.00 H new ATOM 624 N ILE A 39 8.725 -15.514 10.427 1.00 0.00 N ATOM 625 CA ILE A 39 8.706 -16.750 9.616 1.00 0.00 C ATOM 626 C ILE A 39 7.405 -16.827 8.780 1.00 0.00 C ATOM 627 O ILE A 39 7.413 -17.307 7.643 1.00 0.00 O ATOM 628 CB ILE A 39 8.821 -17.999 10.576 1.00 0.00 C ATOM 629 CG1 ILE A 39 10.064 -17.860 11.523 1.00 0.00 C ATOM 630 CG2 ILE A 39 8.872 -19.336 9.799 1.00 0.00 C ATOM 631 CD1 ILE A 39 10.095 -18.833 12.689 1.00 0.00 C ATOM 0 H ILE A 39 8.886 -15.691 11.418 1.00 0.00 H new ATOM 0 HA ILE A 39 9.550 -16.745 8.926 1.00 0.00 H new ATOM 0 HB ILE A 39 7.917 -18.017 11.184 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.969 -17.996 10.932 1.00 0.00 H new ATOM 0 HG13 ILE A 39 10.090 -16.844 11.917 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.951 -20.164 10.504 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.963 -19.448 9.208 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.738 -19.339 9.137 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.991 -18.659 13.285 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.212 -18.685 13.310 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.105 -19.855 12.310 1.00 0.00 H new ATOM 643 N ASN A 40 6.315 -16.287 9.372 1.00 0.00 N ATOM 644 CA ASN A 40 4.977 -16.237 8.766 1.00 0.00 C ATOM 645 C ASN A 40 4.953 -15.316 7.533 1.00 0.00 C ATOM 646 O ASN A 40 4.608 -15.775 6.447 1.00 0.00 O ATOM 647 CB ASN A 40 3.925 -15.760 9.798 1.00 0.00 C ATOM 648 CG ASN A 40 3.850 -16.660 11.029 1.00 0.00 C ATOM 649 OD1 ASN A 40 3.098 -17.635 11.057 1.00 0.00 O ATOM 650 ND2 ASN A 40 4.621 -16.342 12.062 1.00 0.00 N ATOM 0 H ASN A 40 6.348 -15.868 10.301 1.00 0.00 H new ATOM 0 HA ASN A 40 4.727 -17.248 8.444 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.165 -14.744 10.111 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.946 -15.723 9.321 1.00 0.00 H new ATOM 0 HD21 ASN A 40 4.600 -16.911 12.908 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.234 -15.528 12.010 1.00 0.00 H new ATOM 657 N GLU A 41 5.345 -14.027 7.698 1.00 0.00 N ATOM 658 CA GLU A 41 5.309 -13.041 6.585 1.00 0.00 C ATOM 659 C GLU A 41 6.204 -13.482 5.420 1.00 0.00 C ATOM 660 O GLU A 41 5.835 -13.300 4.259 1.00 0.00 O ATOM 661 CB GLU A 41 5.711 -11.611 7.030 1.00 0.00 C ATOM 662 CG GLU A 41 4.705 -10.873 7.936 1.00 0.00 C ATOM 663 CD GLU A 41 4.694 -11.371 9.384 1.00 0.00 C ATOM 664 OE1 GLU A 41 5.499 -10.869 10.193 1.00 0.00 O ATOM 665 OE2 GLU A 41 3.901 -12.275 9.726 1.00 0.00 O ATOM 0 H GLU A 41 5.687 -13.648 8.581 1.00 0.00 H new ATOM 0 HA GLU A 41 4.271 -13.007 6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.665 -11.671 7.554 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.875 -11.008 6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 41 4.938 -9.808 7.930 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.705 -10.982 7.517 1.00 0.00 H new ATOM 672 N PHE A 42 7.373 -14.074 5.743 1.00 0.00 N ATOM 673 CA PHE A 42 8.272 -14.639 4.727 1.00 0.00 C ATOM 674 C PHE A 42 7.553 -15.757 3.937 1.00 0.00 C ATOM 675 O PHE A 42 7.348 -15.612 2.734 1.00 0.00 O ATOM 676 CB PHE A 42 9.600 -15.153 5.346 1.00 0.00 C ATOM 677 CG PHE A 42 10.655 -14.071 5.621 1.00 0.00 C ATOM 678 CD1 PHE A 42 11.272 -13.400 4.560 1.00 0.00 C ATOM 679 CD2 PHE A 42 11.042 -13.742 6.916 1.00 0.00 C ATOM 680 CE1 PHE A 42 12.235 -12.435 4.792 1.00 0.00 C ATOM 681 CE2 PHE A 42 12.009 -12.780 7.144 1.00 0.00 C ATOM 682 CZ PHE A 42 12.604 -12.129 6.083 1.00 0.00 C ATOM 0 H PHE A 42 7.712 -14.171 6.700 1.00 0.00 H new ATOM 0 HA PHE A 42 8.537 -13.839 4.035 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.373 -15.662 6.282 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.031 -15.896 4.675 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.992 -13.639 3.545 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.581 -14.244 7.754 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.697 -11.922 3.962 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.299 -12.538 8.156 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.360 -11.379 6.265 1.00 0.00 H new ATOM 692 N LYS A 43 7.101 -16.835 4.619 1.00 0.00 N ATOM 693 CA LYS A 43 6.469 -17.998 3.926 1.00 0.00 C ATOM 694 C LYS A 43 5.196 -17.588 3.149 1.00 0.00 C ATOM 695 O LYS A 43 4.856 -18.216 2.137 1.00 0.00 O ATOM 696 CB LYS A 43 6.156 -19.155 4.914 1.00 0.00 C ATOM 697 CG LYS A 43 5.086 -18.853 5.983 1.00 0.00 C ATOM 698 CD LYS A 43 4.816 -20.045 6.929 1.00 0.00 C ATOM 699 CE LYS A 43 6.064 -20.484 7.715 1.00 0.00 C ATOM 700 NZ LYS A 43 5.791 -21.629 8.612 1.00 0.00 N ATOM 0 H LYS A 43 7.157 -16.930 5.633 1.00 0.00 H new ATOM 0 HA LYS A 43 7.198 -18.360 3.201 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.833 -20.022 4.338 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.080 -19.435 5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.404 -17.994 6.574 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.156 -18.573 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.028 -19.773 7.631 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.446 -20.888 6.346 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.855 -20.755 7.015 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.433 -19.644 8.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.587 -22.298 8.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.674 -21.286 9.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.920 -22.109 8.307 1.00 0.00 H new ATOM 714 N THR A 44 4.541 -16.507 3.612 1.00 0.00 N ATOM 715 CA THR A 44 3.364 -15.933 2.948 1.00 0.00 C ATOM 716 C THR A 44 3.759 -15.307 1.597 1.00 0.00 C ATOM 717 O THR A 44 3.221 -15.700 0.563 1.00 0.00 O ATOM 718 CB THR A 44 2.651 -14.872 3.847 1.00 0.00 C ATOM 719 OG1 THR A 44 2.216 -15.490 5.066 1.00 0.00 O ATOM 720 CG2 THR A 44 1.434 -14.224 3.156 1.00 0.00 C ATOM 0 H THR A 44 4.816 -16.009 4.459 1.00 0.00 H new ATOM 0 HA THR A 44 2.659 -16.746 2.772 1.00 0.00 H new ATOM 0 HB THR A 44 3.378 -14.084 4.045 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.989 -15.646 5.648 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.979 -13.496 3.828 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.758 -13.723 2.244 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.704 -14.994 2.908 1.00 0.00 H new ATOM 728 N ILE A 45 4.745 -14.379 1.607 1.00 0.00 N ATOM 729 CA ILE A 45 5.171 -13.661 0.381 1.00 0.00 C ATOM 730 C ILE A 45 5.779 -14.637 -0.645 1.00 0.00 C ATOM 731 O ILE A 45 5.718 -14.394 -1.826 1.00 0.00 O ATOM 732 CB ILE A 45 6.179 -12.470 0.656 1.00 0.00 C ATOM 733 CG1 ILE A 45 7.590 -12.978 1.138 1.00 0.00 C ATOM 734 CG2 ILE A 45 5.563 -11.446 1.649 1.00 0.00 C ATOM 735 CD1 ILE A 45 8.611 -11.891 1.454 1.00 0.00 C ATOM 0 H ILE A 45 5.259 -14.110 2.446 1.00 0.00 H new ATOM 0 HA ILE A 45 4.264 -13.215 -0.027 1.00 0.00 H new ATOM 0 HB ILE A 45 6.347 -11.960 -0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.450 -13.590 2.029 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.005 -13.627 0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 45 6.272 -10.637 1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.644 -11.039 1.228 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.340 -11.943 2.593 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.545 -12.352 1.776 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.791 -11.291 0.562 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.228 -11.253 2.250 1.00 0.00 H new ATOM 747 N ILE A 46 6.331 -15.750 -0.164 1.00 0.00 N ATOM 748 CA ILE A 46 6.903 -16.813 -1.016 1.00 0.00 C ATOM 749 C ILE A 46 5.785 -17.662 -1.650 1.00 0.00 C ATOM 750 O ILE A 46 5.873 -18.049 -2.819 1.00 0.00 O ATOM 751 CB ILE A 46 7.886 -17.678 -0.155 1.00 0.00 C ATOM 752 CG1 ILE A 46 9.066 -16.774 0.331 1.00 0.00 C ATOM 753 CG2 ILE A 46 8.413 -18.928 -0.906 1.00 0.00 C ATOM 754 CD1 ILE A 46 9.758 -17.272 1.561 1.00 0.00 C ATOM 0 H ILE A 46 6.399 -15.949 0.834 1.00 0.00 H new ATOM 0 HA ILE A 46 7.463 -16.371 -1.840 1.00 0.00 H new ATOM 0 HB ILE A 46 7.332 -18.062 0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.797 -16.688 -0.473 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.684 -15.771 0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.088 -19.485 -0.256 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.574 -19.564 -1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.948 -18.615 -1.803 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.562 -16.587 1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.043 -17.331 2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.173 -18.261 1.370 1.00 0.00 H new ATOM 766 N ALA A 47 4.724 -17.910 -0.871 1.00 0.00 N ATOM 767 CA ALA A 47 3.522 -18.631 -1.345 1.00 0.00 C ATOM 768 C ALA A 47 2.711 -17.775 -2.346 1.00 0.00 C ATOM 769 O ALA A 47 2.078 -18.300 -3.268 1.00 0.00 O ATOM 770 CB ALA A 47 2.643 -19.031 -0.145 1.00 0.00 C ATOM 0 H ALA A 47 4.669 -17.619 0.105 1.00 0.00 H new ATOM 0 HA ALA A 47 3.848 -19.531 -1.866 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.760 -19.561 -0.502 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.211 -19.679 0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.335 -18.136 0.395 1.00 0.00 H new ATOM 776 N ASN A 48 2.764 -16.446 -2.154 1.00 0.00 N ATOM 777 CA ASN A 48 1.940 -15.478 -2.903 1.00 0.00 C ATOM 778 C ASN A 48 2.641 -15.015 -4.197 1.00 0.00 C ATOM 779 O ASN A 48 2.048 -15.068 -5.276 1.00 0.00 O ATOM 780 CB ASN A 48 1.587 -14.265 -1.994 1.00 0.00 C ATOM 781 CG ASN A 48 0.569 -14.557 -0.869 1.00 0.00 C ATOM 782 OD1 ASN A 48 0.550 -15.772 -0.337 1.00 0.00 O flip ATOM 783 ND2 ASN A 48 -0.187 -13.674 -0.461 1.00 0.00 N flip ATOM 0 H ASN A 48 3.383 -16.009 -1.471 1.00 0.00 H new ATOM 0 HA ASN A 48 1.017 -15.975 -3.200 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.506 -13.891 -1.542 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.192 -13.465 -2.621 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.160 -12.745 -0.881 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.840 -13.872 0.297 1.00 0.00 H new ATOM 790 N THR A 49 3.902 -14.570 -4.084 1.00 0.00 N ATOM 791 CA THR A 49 4.681 -14.055 -5.235 1.00 0.00 C ATOM 792 C THR A 49 5.319 -15.204 -6.033 1.00 0.00 C ATOM 793 O THR A 49 5.619 -15.050 -7.224 1.00 0.00 O ATOM 794 CB THR A 49 5.802 -13.057 -4.782 1.00 0.00 C ATOM 795 OG1 THR A 49 6.867 -13.763 -4.118 1.00 0.00 O ATOM 796 CG2 THR A 49 5.256 -11.970 -3.837 1.00 0.00 C ATOM 0 H THR A 49 4.413 -14.554 -3.201 1.00 0.00 H new ATOM 0 HA THR A 49 3.976 -13.521 -5.872 1.00 0.00 H new ATOM 0 HB THR A 49 6.180 -12.574 -5.683 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.513 -14.219 -3.326 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.065 -11.300 -3.547 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.479 -11.401 -4.347 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.837 -12.439 -2.947 1.00 0.00 H new ATOM 804 N GLY A 50 5.527 -16.352 -5.358 1.00 0.00 N ATOM 805 CA GLY A 50 6.171 -17.519 -5.968 1.00 0.00 C ATOM 806 C GLY A 50 7.677 -17.347 -6.120 1.00 0.00 C ATOM 807 O GLY A 50 8.266 -17.832 -7.091 1.00 0.00 O ATOM 0 H GLY A 50 5.254 -16.490 -4.385 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.970 -18.400 -5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.730 -17.702 -6.948 1.00 0.00 H new ATOM 811 N VAL A 51 8.300 -16.643 -5.158 1.00 0.00 N ATOM 812 CA VAL A 51 9.749 -16.368 -5.174 1.00 0.00 C ATOM 813 C VAL A 51 10.527 -17.538 -4.548 1.00 0.00 C ATOM 814 O VAL A 51 9.967 -18.309 -3.757 1.00 0.00 O ATOM 815 CB VAL A 51 10.067 -15.017 -4.414 1.00 0.00 C ATOM 816 CG1 VAL A 51 9.789 -15.108 -2.893 1.00 0.00 C ATOM 817 CG2 VAL A 51 11.504 -14.511 -4.691 1.00 0.00 C ATOM 0 H VAL A 51 7.816 -16.250 -4.351 1.00 0.00 H new ATOM 0 HA VAL A 51 10.067 -16.260 -6.211 1.00 0.00 H new ATOM 0 HB VAL A 51 9.377 -14.278 -4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.025 -14.153 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.738 -15.344 -2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.409 -15.891 -2.456 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.674 -13.582 -4.147 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.224 -15.261 -4.362 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.628 -14.334 -5.759 1.00 0.00 H new ATOM 827 N GLU A 52 11.805 -17.687 -4.935 1.00 0.00 N ATOM 828 CA GLU A 52 12.729 -18.612 -4.278 1.00 0.00 C ATOM 829 C GLU A 52 13.033 -18.120 -2.854 1.00 0.00 C ATOM 830 O GLU A 52 13.350 -16.944 -2.644 1.00 0.00 O ATOM 831 CB GLU A 52 14.044 -18.783 -5.087 1.00 0.00 C ATOM 832 CG GLU A 52 13.908 -19.584 -6.399 1.00 0.00 C ATOM 833 CD GLU A 52 13.292 -18.791 -7.570 1.00 0.00 C ATOM 834 OE1 GLU A 52 12.049 -18.723 -7.687 1.00 0.00 O ATOM 835 OE2 GLU A 52 14.057 -18.232 -8.388 1.00 0.00 O ATOM 0 H GLU A 52 12.220 -17.169 -5.710 1.00 0.00 H new ATOM 0 HA GLU A 52 12.250 -19.590 -4.228 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.438 -17.794 -5.323 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.780 -19.277 -4.453 1.00 0.00 H new ATOM 0 HG2 GLU A 52 14.894 -19.940 -6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.294 -20.465 -6.210 1.00 0.00 H new ATOM 842 N ILE A 53 12.911 -19.032 -1.894 1.00 0.00 N ATOM 843 CA ILE A 53 13.168 -18.759 -0.473 1.00 0.00 C ATOM 844 C ILE A 53 14.701 -18.647 -0.238 1.00 0.00 C ATOM 845 O ILE A 53 15.161 -17.868 0.600 1.00 0.00 O ATOM 846 CB ILE A 53 12.463 -19.884 0.407 1.00 0.00 C ATOM 847 CG1 ILE A 53 12.335 -19.517 1.924 1.00 0.00 C ATOM 848 CG2 ILE A 53 13.108 -21.264 0.213 1.00 0.00 C ATOM 849 CD1 ILE A 53 13.591 -19.555 2.770 1.00 0.00 C ATOM 0 H ILE A 53 12.628 -19.995 -2.077 1.00 0.00 H new ATOM 0 HA ILE A 53 12.739 -17.805 -0.167 1.00 0.00 H new ATOM 0 HB ILE A 53 11.442 -19.939 0.028 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.917 -18.513 1.991 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.609 -20.195 2.372 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.593 -21.997 0.834 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.032 -21.557 -0.834 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.158 -21.219 0.501 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.347 -19.278 3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 53 14.009 -20.561 2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 53 14.322 -18.853 2.368 1.00 0.00 H new ATOM 861 N ASN A 54 15.477 -19.391 -1.045 1.00 0.00 N ATOM 862 CA ASN A 54 16.945 -19.457 -0.927 1.00 0.00 C ATOM 863 C ASN A 54 17.617 -18.158 -1.437 1.00 0.00 C ATOM 864 O ASN A 54 18.662 -17.757 -0.909 1.00 0.00 O ATOM 865 CB ASN A 54 17.469 -20.712 -1.681 1.00 0.00 C ATOM 866 CG ASN A 54 18.993 -20.900 -1.604 1.00 0.00 C ATOM 867 OD1 ASN A 54 19.511 -21.520 -0.669 1.00 0.00 O ATOM 868 ND2 ASN A 54 19.717 -20.384 -2.591 1.00 0.00 N ATOM 0 H ASN A 54 15.103 -19.966 -1.800 1.00 0.00 H new ATOM 0 HA ASN A 54 17.210 -19.547 0.126 1.00 0.00 H new ATOM 0 HB2 ASN A 54 16.983 -21.598 -1.271 1.00 0.00 H new ATOM 0 HB3 ASN A 54 17.175 -20.643 -2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 54 20.731 -20.494 -2.591 1.00 0.00 H new ATOM 0 HD22 ASN A 54 19.259 -19.877 -3.349 1.00 0.00 H new ATOM 875 N LYS A 55 17.008 -17.491 -2.458 1.00 0.00 N ATOM 876 CA LYS A 55 17.541 -16.203 -2.987 1.00 0.00 C ATOM 877 C LYS A 55 17.295 -15.041 -2.000 1.00 0.00 C ATOM 878 O LYS A 55 17.889 -13.971 -2.158 1.00 0.00 O ATOM 879 CB LYS A 55 16.951 -15.819 -4.378 1.00 0.00 C ATOM 880 CG LYS A 55 15.480 -15.323 -4.365 1.00 0.00 C ATOM 881 CD LYS A 55 15.075 -14.583 -5.666 1.00 0.00 C ATOM 882 CE LYS A 55 15.201 -15.442 -6.931 1.00 0.00 C ATOM 883 NZ LYS A 55 14.685 -14.742 -8.130 1.00 0.00 N ATOM 0 H LYS A 55 16.162 -17.818 -2.924 1.00 0.00 H new ATOM 0 HA LYS A 55 18.612 -16.364 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.575 -15.040 -4.816 1.00 0.00 H new ATOM 0 HB3 LYS A 55 17.018 -16.687 -5.034 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.817 -16.175 -4.218 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.335 -14.656 -3.515 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.045 -14.240 -5.572 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.698 -13.695 -5.777 1.00 0.00 H new ATOM 0 HE2 LYS A 55 16.247 -15.706 -7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 55 14.654 -16.375 -6.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.789 -15.357 -8.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.680 -14.512 -7.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 15.223 -13.865 -8.278 1.00 0.00 H new ATOM 897 N LEU A 56 16.397 -15.254 -1.005 1.00 0.00 N ATOM 898 CA LEU A 56 16.122 -14.246 0.042 1.00 0.00 C ATOM 899 C LEU A 56 17.316 -14.112 0.993 1.00 0.00 C ATOM 900 O LEU A 56 17.432 -13.114 1.689 1.00 0.00 O ATOM 901 CB LEU A 56 14.849 -14.589 0.858 1.00 0.00 C ATOM 902 CG LEU A 56 13.508 -14.709 0.067 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.317 -14.844 1.037 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.299 -13.527 -0.901 1.00 0.00 C ATOM 0 H LEU A 56 15.855 -16.112 -0.909 1.00 0.00 H new ATOM 0 HA LEU A 56 15.954 -13.298 -0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.023 -15.533 1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.722 -13.825 1.625 1.00 0.00 H new ATOM 0 HG LEU A 56 13.567 -15.612 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.391 -14.926 0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.446 -15.736 1.650 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.270 -13.965 1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.354 -13.652 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.278 -12.594 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.117 -13.498 -1.621 1.00 0.00 H new ATOM 916 N PHE A 57 18.179 -15.142 1.038 1.00 0.00 N ATOM 917 CA PHE A 57 19.454 -15.079 1.775 1.00 0.00 C ATOM 918 C PHE A 57 20.429 -14.115 1.101 1.00 0.00 C ATOM 919 O PHE A 57 20.365 -13.900 -0.116 1.00 0.00 O ATOM 920 CB PHE A 57 20.118 -16.472 1.883 1.00 0.00 C ATOM 921 CG PHE A 57 19.505 -17.372 2.944 1.00 0.00 C ATOM 922 CD1 PHE A 57 18.388 -18.150 2.665 1.00 0.00 C ATOM 923 CD2 PHE A 57 20.046 -17.424 4.235 1.00 0.00 C ATOM 924 CE1 PHE A 57 17.835 -18.955 3.633 1.00 0.00 C ATOM 925 CE2 PHE A 57 19.487 -18.231 5.203 1.00 0.00 C ATOM 926 CZ PHE A 57 18.384 -18.996 4.902 1.00 0.00 C ATOM 0 H PHE A 57 18.015 -16.033 0.570 1.00 0.00 H new ATOM 0 HA PHE A 57 19.221 -14.720 2.777 1.00 0.00 H new ATOM 0 HB2 PHE A 57 20.051 -16.971 0.916 1.00 0.00 H new ATOM 0 HB3 PHE A 57 21.178 -16.341 2.101 1.00 0.00 H new ATOM 0 HD1 PHE A 57 17.950 -18.122 1.678 1.00 0.00 H new ATOM 0 HD2 PHE A 57 20.912 -16.825 4.475 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.969 -19.557 3.402 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.914 -18.262 6.195 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.946 -19.630 5.658 1.00 0.00 H new ATOM 936 N ASN A 58 21.336 -13.562 1.923 1.00 0.00 N ATOM 937 CA ASN A 58 22.481 -12.777 1.462 1.00 0.00 C ATOM 938 C ASN A 58 23.316 -13.592 0.450 1.00 0.00 C ATOM 939 O ASN A 58 24.131 -14.444 0.827 1.00 0.00 O ATOM 940 CB ASN A 58 23.339 -12.295 2.676 1.00 0.00 C ATOM 941 CG ASN A 58 23.953 -13.398 3.582 1.00 0.00 C ATOM 942 OD1 ASN A 58 23.222 -14.478 3.853 1.00 0.00 O flip ATOM 943 ND2 ASN A 58 25.077 -13.250 4.081 1.00 0.00 N flip ATOM 0 H ASN A 58 21.289 -13.652 2.938 1.00 0.00 H new ATOM 0 HA ASN A 58 22.120 -11.887 0.948 1.00 0.00 H new ATOM 0 HB2 ASN A 58 24.152 -11.678 2.294 1.00 0.00 H new ATOM 0 HB3 ASN A 58 22.716 -11.652 3.298 1.00 0.00 H new ATOM 0 HD21 ASN A 58 25.626 -12.418 3.864 1.00 0.00 H new ATOM 0 HD22 ASN A 58 25.454 -13.960 4.708 1.00 0.00 H new ATOM 999 N LYS A 63 28.725 -13.396 4.966 1.00 0.00 N ATOM 1000 CA LYS A 63 28.198 -14.173 6.108 1.00 0.00 C ATOM 1001 C LYS A 63 27.634 -15.549 5.705 1.00 0.00 C ATOM 1002 O LYS A 63 27.691 -16.490 6.486 1.00 0.00 O ATOM 1003 CB LYS A 63 27.117 -13.390 6.856 1.00 0.00 C ATOM 1004 CG LYS A 63 27.530 -11.963 7.290 1.00 0.00 C ATOM 1005 CD LYS A 63 26.482 -11.332 8.226 1.00 0.00 C ATOM 1006 CE LYS A 63 25.058 -11.532 7.709 1.00 0.00 C ATOM 1007 NZ LYS A 63 24.077 -10.905 8.605 1.00 0.00 N ATOM 0 HA LYS A 63 29.054 -14.345 6.760 1.00 0.00 H new ATOM 0 HB2 LYS A 63 26.234 -13.320 6.221 1.00 0.00 H new ATOM 0 HB3 LYS A 63 26.828 -13.954 7.742 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.495 -12.000 7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 63 27.656 -11.335 6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.572 -11.771 9.219 1.00 0.00 H new ATOM 0 HD3 LYS A 63 26.684 -10.266 8.330 1.00 0.00 H new ATOM 0 HE2 LYS A 63 24.967 -11.106 6.710 1.00 0.00 H new ATOM 0 HE3 LYS A 63 24.846 -12.598 7.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 23.131 -11.287 8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 24.330 -11.107 9.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 24.075 -9.876 8.452 1.00 0.00 H new ATOM 1021 N TYR A 64 27.095 -15.645 4.489 1.00 0.00 N ATOM 1022 CA TYR A 64 26.538 -16.903 3.926 1.00 0.00 C ATOM 1023 C TYR A 64 27.578 -18.066 3.949 1.00 0.00 C ATOM 1024 O TYR A 64 27.204 -19.244 4.037 1.00 0.00 O ATOM 1025 CB TYR A 64 26.039 -16.609 2.492 1.00 0.00 C ATOM 1026 CG TYR A 64 25.118 -17.660 1.856 1.00 0.00 C ATOM 1027 CD1 TYR A 64 23.771 -17.727 2.205 1.00 0.00 C ATOM 1028 CD2 TYR A 64 25.582 -18.553 0.885 1.00 0.00 C ATOM 1029 CE1 TYR A 64 22.926 -18.639 1.612 1.00 0.00 C ATOM 1030 CE2 TYR A 64 24.735 -19.471 0.295 1.00 0.00 C ATOM 1031 CZ TYR A 64 23.409 -19.507 0.662 1.00 0.00 C ATOM 1032 OH TYR A 64 22.555 -20.416 0.069 1.00 0.00 O ATOM 0 H TYR A 64 27.026 -14.852 3.851 1.00 0.00 H new ATOM 0 HA TYR A 64 25.706 -17.240 4.544 1.00 0.00 H new ATOM 0 HB2 TYR A 64 25.511 -15.656 2.504 1.00 0.00 H new ATOM 0 HB3 TYR A 64 26.909 -16.484 1.847 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.383 -17.052 2.953 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.621 -18.524 0.591 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.884 -18.672 1.894 1.00 0.00 H new ATOM 0 HE2 TYR A 64 25.111 -20.157 -0.450 1.00 0.00 H new ATOM 0 HH TYR A 64 22.652 -20.368 -0.905 1.00 0.00 H new ATOM 1042 N ARG A 65 28.889 -17.712 3.909 1.00 0.00 N ATOM 1043 CA ARG A 65 30.011 -18.688 4.000 1.00 0.00 C ATOM 1044 C ARG A 65 30.747 -18.562 5.350 1.00 0.00 C ATOM 1045 O ARG A 65 31.412 -19.506 5.784 1.00 0.00 O ATOM 1046 CB ARG A 65 31.001 -18.545 2.789 1.00 0.00 C ATOM 1047 CG ARG A 65 31.657 -17.148 2.577 1.00 0.00 C ATOM 1048 CD ARG A 65 32.887 -16.870 3.470 1.00 0.00 C ATOM 1049 NE ARG A 65 33.256 -15.442 3.447 1.00 0.00 N ATOM 1050 CZ ARG A 65 33.640 -14.715 4.509 1.00 0.00 C ATOM 1051 NH1 ARG A 65 33.872 -15.290 5.687 1.00 0.00 N ATOM 1052 NH2 ARG A 65 33.821 -13.408 4.373 1.00 0.00 N ATOM 0 H ARG A 65 29.199 -16.745 3.813 1.00 0.00 H new ATOM 0 HA ARG A 65 29.583 -19.689 3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 65 31.798 -19.279 2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 65 30.464 -18.809 1.878 1.00 0.00 H new ATOM 0 HG2 ARG A 65 31.955 -17.056 1.533 1.00 0.00 H new ATOM 0 HG3 ARG A 65 30.908 -16.378 2.763 1.00 0.00 H new ATOM 0 HD2 ARG A 65 32.672 -17.175 4.494 1.00 0.00 H new ATOM 0 HD3 ARG A 65 33.730 -17.471 3.129 1.00 0.00 H new ATOM 0 HE ARG A 65 33.216 -14.965 2.546 1.00 0.00 H new ATOM 0 HH11 ARG A 65 33.759 -16.298 5.794 1.00 0.00 H new ATOM 0 HH12 ARG A 65 34.163 -14.722 6.483 1.00 0.00 H new ATOM 0 HH21 ARG A 65 33.669 -12.964 3.468 1.00 0.00 H new ATOM 0 HH22 ARG A 65 34.113 -12.847 5.174 1.00 0.00 H new ATOM 1066 N GLU A 66 30.623 -17.384 6.003 1.00 0.00 N ATOM 1067 CA GLU A 66 31.230 -17.116 7.332 1.00 0.00 C ATOM 1068 C GLU A 66 30.557 -17.979 8.417 1.00 0.00 C ATOM 1069 O GLU A 66 31.197 -18.396 9.389 1.00 0.00 O ATOM 1070 CB GLU A 66 31.115 -15.603 7.678 1.00 0.00 C ATOM 1071 CG GLU A 66 31.760 -15.158 9.008 1.00 0.00 C ATOM 1072 CD GLU A 66 33.267 -15.461 9.093 1.00 0.00 C ATOM 1073 OE1 GLU A 66 34.076 -14.656 8.575 1.00 0.00 O ATOM 1074 OE2 GLU A 66 33.651 -16.508 9.663 1.00 0.00 O ATOM 0 H GLU A 66 30.101 -16.593 5.627 1.00 0.00 H new ATOM 0 HA GLU A 66 32.286 -17.382 7.296 1.00 0.00 H new ATOM 0 HB2 GLU A 66 31.569 -15.031 6.869 1.00 0.00 H new ATOM 0 HB3 GLU A 66 30.058 -15.337 7.703 1.00 0.00 H new ATOM 0 HG2 GLU A 66 31.605 -14.087 9.137 1.00 0.00 H new ATOM 0 HG3 GLU A 66 31.251 -15.655 9.834 1.00 0.00 H new ATOM 1081 N LEU A 67 29.256 -18.227 8.229 1.00 0.00 N ATOM 1082 CA LEU A 67 28.451 -19.120 9.083 1.00 0.00 C ATOM 1083 C LEU A 67 28.359 -20.521 8.438 1.00 0.00 C ATOM 1084 O LEU A 67 27.773 -21.438 9.019 1.00 0.00 O ATOM 1085 CB LEU A 67 27.019 -18.536 9.244 1.00 0.00 C ATOM 1086 CG LEU A 67 26.910 -17.001 9.498 1.00 0.00 C ATOM 1087 CD1 LEU A 67 25.436 -16.561 9.586 1.00 0.00 C ATOM 1088 CD2 LEU A 67 27.714 -16.559 10.738 1.00 0.00 C ATOM 0 H LEU A 67 28.721 -17.808 7.468 1.00 0.00 H new ATOM 0 HA LEU A 67 28.927 -19.201 10.060 1.00 0.00 H new ATOM 0 HB2 LEU A 67 26.452 -18.772 8.343 1.00 0.00 H new ATOM 0 HB3 LEU A 67 26.532 -19.053 10.071 1.00 0.00 H new ATOM 0 HG LEU A 67 27.358 -16.496 8.642 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.387 -15.487 9.764 1.00 0.00 H new ATOM 0 HD12 LEU A 67 24.929 -16.798 8.650 1.00 0.00 H new ATOM 0 HD13 LEU A 67 24.948 -17.087 10.406 1.00 0.00 H new ATOM 0 HD21 LEU A 67 27.609 -15.483 10.875 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.336 -17.076 11.620 1.00 0.00 H new ATOM 0 HD23 LEU A 67 28.766 -16.805 10.596 1.00 0.00 H new ATOM 1100 N ASP A 68 28.922 -20.628 7.207 1.00 0.00 N ATOM 1101 CA ASP A 68 28.864 -21.808 6.309 1.00 0.00 C ATOM 1102 C ASP A 68 27.435 -22.353 6.153 1.00 0.00 C ATOM 1103 O ASP A 68 27.231 -23.568 6.030 1.00 0.00 O ATOM 1104 CB ASP A 68 29.915 -22.917 6.684 1.00 0.00 C ATOM 1105 CG ASP A 68 29.708 -23.640 8.037 1.00 0.00 C ATOM 1106 OD1 ASP A 68 28.957 -24.640 8.097 1.00 0.00 O ATOM 1107 OD2 ASP A 68 30.318 -23.227 9.044 1.00 0.00 O ATOM 0 H ASP A 68 29.452 -19.859 6.796 1.00 0.00 H new ATOM 0 HA ASP A 68 29.160 -21.456 5.321 1.00 0.00 H new ATOM 0 HB2 ASP A 68 29.915 -23.667 5.893 1.00 0.00 H new ATOM 0 HB3 ASP A 68 30.905 -22.460 6.690 1.00 0.00 H new ATOM 1112 N LEU A 69 26.456 -21.410 6.052 1.00 0.00 N ATOM 1113 CA LEU A 69 25.018 -21.738 6.023 1.00 0.00 C ATOM 1114 C LEU A 69 24.679 -22.734 4.912 1.00 0.00 C ATOM 1115 O LEU A 69 23.879 -23.615 5.134 1.00 0.00 O ATOM 1116 CB LEU A 69 24.124 -20.480 5.853 1.00 0.00 C ATOM 1117 CG LEU A 69 24.090 -19.474 7.041 1.00 0.00 C ATOM 1118 CD1 LEU A 69 23.138 -18.300 6.729 1.00 0.00 C ATOM 1119 CD2 LEU A 69 23.696 -20.178 8.366 1.00 0.00 C ATOM 0 H LEU A 69 26.649 -20.410 5.989 1.00 0.00 H new ATOM 0 HA LEU A 69 24.807 -22.191 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 69 24.458 -19.944 4.964 1.00 0.00 H new ATOM 0 HB3 LEU A 69 23.104 -20.812 5.661 1.00 0.00 H new ATOM 0 HG LEU A 69 25.095 -19.073 7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.127 -17.607 7.570 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.482 -17.780 5.835 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.131 -18.683 6.561 1.00 0.00 H new ATOM 0 HD21 LEU A 69 23.682 -19.448 9.175 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.707 -20.623 8.261 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.423 -20.958 8.594 1.00 0.00 H new ATOM 1131 N LYS A 70 25.323 -22.602 3.739 1.00 0.00 N ATOM 1132 CA LYS A 70 25.024 -23.434 2.546 1.00 0.00 C ATOM 1133 C LYS A 70 25.085 -24.958 2.867 1.00 0.00 C ATOM 1134 O LYS A 70 24.247 -25.748 2.376 1.00 0.00 O ATOM 1135 CB LYS A 70 26.005 -23.077 1.399 1.00 0.00 C ATOM 1136 CG LYS A 70 25.617 -23.640 0.010 1.00 0.00 C ATOM 1137 CD LYS A 70 24.237 -23.129 -0.472 1.00 0.00 C ATOM 1138 CE LYS A 70 23.888 -23.587 -1.896 1.00 0.00 C ATOM 1139 NZ LYS A 70 23.743 -25.063 -1.996 1.00 0.00 N ATOM 0 H LYS A 70 26.065 -21.919 3.585 1.00 0.00 H new ATOM 0 HA LYS A 70 24.004 -23.215 2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 70 26.078 -21.992 1.327 1.00 0.00 H new ATOM 0 HB3 LYS A 70 26.997 -23.446 1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 70 26.379 -23.360 -0.718 1.00 0.00 H new ATOM 0 HG3 LYS A 70 25.603 -24.729 0.054 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.467 -23.479 0.215 1.00 0.00 H new ATOM 0 HD3 LYS A 70 24.226 -22.040 -0.434 1.00 0.00 H new ATOM 0 HE2 LYS A 70 22.959 -23.111 -2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 70 24.666 -23.253 -2.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 23.508 -25.323 -2.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 24.637 -25.519 -1.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 22.983 -25.381 -1.361 1.00 0.00 H new ATOM 1153 N ASN A 71 26.046 -25.325 3.753 1.00 0.00 N ATOM 1154 CA ASN A 71 26.247 -26.710 4.238 1.00 0.00 C ATOM 1155 C ASN A 71 24.980 -27.250 4.928 1.00 0.00 C ATOM 1156 O ASN A 71 24.585 -28.403 4.707 1.00 0.00 O ATOM 1157 CB ASN A 71 27.446 -26.786 5.232 1.00 0.00 C ATOM 1158 CG ASN A 71 28.805 -26.450 4.613 1.00 0.00 C ATOM 1159 OD1 ASN A 71 29.039 -26.675 3.429 1.00 0.00 O ATOM 1160 ND2 ASN A 71 29.712 -25.928 5.417 1.00 0.00 N ATOM 0 H ASN A 71 26.708 -24.660 4.153 1.00 0.00 H new ATOM 0 HA ASN A 71 26.465 -27.327 3.366 1.00 0.00 H new ATOM 0 HB2 ASN A 71 27.259 -26.102 6.060 1.00 0.00 H new ATOM 0 HB3 ASN A 71 27.491 -27.791 5.652 1.00 0.00 H new ATOM 0 HD21 ASN A 71 30.639 -25.699 5.059 1.00 0.00 H new ATOM 0 HD22 ASN A 71 29.486 -25.753 6.396 1.00 0.00 H new ATOM 1167 N LYS A 72 24.350 -26.418 5.778 1.00 0.00 N ATOM 1168 CA LYS A 72 23.116 -26.808 6.478 1.00 0.00 C ATOM 1169 C LYS A 72 21.885 -26.591 5.573 1.00 0.00 C ATOM 1170 O LYS A 72 20.967 -27.388 5.627 1.00 0.00 O ATOM 1171 CB LYS A 72 22.967 -26.071 7.848 1.00 0.00 C ATOM 1172 CG LYS A 72 22.761 -24.548 7.783 1.00 0.00 C ATOM 1173 CD LYS A 72 22.682 -23.896 9.186 1.00 0.00 C ATOM 1174 CE LYS A 72 21.376 -24.221 9.925 1.00 0.00 C ATOM 1175 NZ LYS A 72 21.378 -23.779 11.341 1.00 0.00 N ATOM 0 H LYS A 72 24.675 -25.476 5.995 1.00 0.00 H new ATOM 0 HA LYS A 72 23.182 -27.872 6.703 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.123 -26.508 8.382 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.858 -26.271 8.443 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.581 -24.098 7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.844 -24.332 7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 72 23.527 -24.234 9.786 1.00 0.00 H new ATOM 0 HD3 LYS A 72 22.776 -22.815 9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.544 -23.746 9.405 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.203 -25.297 9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.470 -24.027 11.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 22.152 -24.251 11.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.513 -22.749 11.383 1.00 0.00 H new ATOM 1189 N LEU A 73 21.909 -25.560 4.683 1.00 0.00 N ATOM 1190 CA LEU A 73 20.719 -25.153 3.876 1.00 0.00 C ATOM 1191 C LEU A 73 20.310 -26.244 2.879 1.00 0.00 C ATOM 1192 O LEU A 73 19.119 -26.404 2.572 1.00 0.00 O ATOM 1193 CB LEU A 73 20.927 -23.810 3.113 1.00 0.00 C ATOM 1194 CG LEU A 73 21.194 -22.531 3.975 1.00 0.00 C ATOM 1195 CD1 LEU A 73 21.109 -21.251 3.121 1.00 0.00 C ATOM 1196 CD2 LEU A 73 20.270 -22.446 5.204 1.00 0.00 C ATOM 0 H LEU A 73 22.739 -24.994 4.505 1.00 0.00 H new ATOM 0 HA LEU A 73 19.918 -25.005 4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.766 -23.937 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 73 20.042 -23.628 2.503 1.00 0.00 H new ATOM 0 HG LEU A 73 22.213 -22.616 4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 73 21.299 -20.381 3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.853 -21.294 2.326 1.00 0.00 H new ATOM 0 HD13 LEU A 73 20.114 -21.171 2.683 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.496 -21.541 5.768 1.00 0.00 H new ATOM 0 HD22 LEU A 73 19.231 -22.419 4.877 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.428 -23.318 5.839 1.00 0.00 H new ATOM 1208 N GLN A 74 21.308 -26.989 2.387 1.00 0.00 N ATOM 1209 CA GLN A 74 21.088 -28.108 1.449 1.00 0.00 C ATOM 1210 C GLN A 74 20.402 -29.327 2.128 1.00 0.00 C ATOM 1211 O GLN A 74 19.893 -30.207 1.426 1.00 0.00 O ATOM 1212 CB GLN A 74 22.444 -28.521 0.811 1.00 0.00 C ATOM 1213 CG GLN A 74 23.489 -29.042 1.817 1.00 0.00 C ATOM 1214 CD GLN A 74 24.874 -29.348 1.223 1.00 0.00 C ATOM 1215 OE1 GLN A 74 25.314 -28.569 0.240 1.00 0.00 O flip ATOM 1216 NE2 GLN A 74 25.563 -30.258 1.683 1.00 0.00 N flip ATOM 0 H GLN A 74 22.288 -26.838 2.624 1.00 0.00 H new ATOM 0 HA GLN A 74 20.406 -27.765 0.671 1.00 0.00 H new ATOM 0 HB2 GLN A 74 22.260 -29.293 0.064 1.00 0.00 H new ATOM 0 HB3 GLN A 74 22.861 -27.662 0.285 1.00 0.00 H new ATOM 0 HG2 GLN A 74 23.607 -28.303 2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 74 23.102 -29.949 2.281 1.00 0.00 H new ATOM 0 HE21 GLN A 74 25.200 -30.841 2.438 1.00 0.00 H new ATOM 0 HE22 GLN A 74 26.497 -30.429 1.310 1.00 0.00 H new ATOM 1225 N THR A 75 20.375 -29.373 3.485 1.00 0.00 N ATOM 1226 CA THR A 75 19.892 -30.564 4.228 1.00 0.00 C ATOM 1227 C THR A 75 18.746 -30.261 5.235 1.00 0.00 C ATOM 1228 O THR A 75 18.028 -31.189 5.628 1.00 0.00 O ATOM 1229 CB THR A 75 21.097 -31.295 4.936 1.00 0.00 C ATOM 1230 OG1 THR A 75 20.690 -32.580 5.450 1.00 0.00 O ATOM 1231 CG2 THR A 75 21.719 -30.471 6.084 1.00 0.00 C ATOM 0 H THR A 75 20.680 -28.605 4.082 1.00 0.00 H new ATOM 0 HA THR A 75 19.452 -31.229 3.485 1.00 0.00 H new ATOM 0 HB THR A 75 21.858 -31.421 4.166 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.756 -32.534 5.744 1.00 0.00 H new ATOM 0 HG21 THR A 75 22.542 -31.030 6.529 1.00 0.00 H new ATOM 0 HG22 THR A 75 22.093 -29.525 5.692 1.00 0.00 H new ATOM 0 HG23 THR A 75 20.962 -30.275 6.843 1.00 0.00 H new ATOM 1239 N LEU A 76 18.548 -28.986 5.653 1.00 0.00 N ATOM 1240 CA LEU A 76 17.440 -28.622 6.589 1.00 0.00 C ATOM 1241 C LEU A 76 16.081 -28.454 5.851 1.00 0.00 C ATOM 1242 O LEU A 76 15.979 -28.732 4.648 1.00 0.00 O ATOM 1243 CB LEU A 76 17.807 -27.355 7.450 1.00 0.00 C ATOM 1244 CG LEU A 76 18.407 -26.101 6.726 1.00 0.00 C ATOM 1245 CD1 LEU A 76 17.532 -25.579 5.592 1.00 0.00 C ATOM 1246 CD2 LEU A 76 18.726 -24.971 7.724 1.00 0.00 C ATOM 0 H LEU A 76 19.129 -28.198 5.365 1.00 0.00 H new ATOM 0 HA LEU A 76 17.315 -29.456 7.279 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.904 -27.036 7.970 1.00 0.00 H new ATOM 0 HB3 LEU A 76 18.520 -27.669 8.213 1.00 0.00 H new ATOM 0 HG LEU A 76 19.337 -26.443 6.272 1.00 0.00 H new ATOM 0 HD11 LEU A 76 18.008 -24.711 5.135 1.00 0.00 H new ATOM 0 HD12 LEU A 76 17.405 -26.359 4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.557 -25.293 5.987 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.140 -24.118 7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 76 17.812 -24.669 8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.451 -25.326 8.456 1.00 0.00 H new ATOM 1258 N SER A 77 15.047 -28.010 6.594 1.00 0.00 N ATOM 1259 CA SER A 77 13.706 -27.703 6.047 1.00 0.00 C ATOM 1260 C SER A 77 13.628 -26.232 5.586 1.00 0.00 C ATOM 1261 O SER A 77 14.428 -25.394 6.024 1.00 0.00 O ATOM 1262 CB SER A 77 12.635 -27.973 7.133 1.00 0.00 C ATOM 1263 OG SER A 77 12.694 -29.316 7.590 1.00 0.00 O ATOM 0 H SER A 77 15.118 -27.853 7.599 1.00 0.00 H new ATOM 0 HA SER A 77 13.523 -28.342 5.183 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.785 -27.294 7.972 1.00 0.00 H new ATOM 0 HB3 SER A 77 11.644 -27.767 6.729 1.00 0.00 H new ATOM 0 HG SER A 77 12.009 -29.459 8.276 1.00 0.00 H new ATOM 1269 N ASP A 78 12.648 -25.910 4.715 1.00 0.00 N ATOM 1270 CA ASP A 78 12.418 -24.521 4.252 1.00 0.00 C ATOM 1271 C ASP A 78 12.073 -23.604 5.430 1.00 0.00 C ATOM 1272 O ASP A 78 12.442 -22.437 5.421 1.00 0.00 O ATOM 1273 CB ASP A 78 11.291 -24.446 3.198 1.00 0.00 C ATOM 1274 CG ASP A 78 11.642 -25.175 1.897 1.00 0.00 C ATOM 1275 OD1 ASP A 78 12.434 -24.628 1.102 1.00 0.00 O ATOM 1276 OD2 ASP A 78 11.145 -26.296 1.670 1.00 0.00 O ATOM 0 H ASP A 78 12.002 -26.592 4.317 1.00 0.00 H new ATOM 0 HA ASP A 78 13.346 -24.184 3.789 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.381 -24.876 3.616 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.077 -23.401 2.976 1.00 0.00 H new ATOM 1281 N ASP A 79 11.383 -24.169 6.445 1.00 0.00 N ATOM 1282 CA ASP A 79 11.016 -23.458 7.686 1.00 0.00 C ATOM 1283 C ASP A 79 12.248 -22.992 8.466 1.00 0.00 C ATOM 1284 O ASP A 79 12.222 -21.929 9.074 1.00 0.00 O ATOM 1285 CB ASP A 79 10.103 -24.343 8.579 1.00 0.00 C ATOM 1286 CG ASP A 79 8.630 -24.311 8.142 1.00 0.00 C ATOM 1287 OD1 ASP A 79 8.261 -25.023 7.185 1.00 0.00 O ATOM 1288 OD2 ASP A 79 7.834 -23.557 8.747 1.00 0.00 O ATOM 0 H ASP A 79 11.064 -25.138 6.424 1.00 0.00 H new ATOM 0 HA ASP A 79 10.460 -22.567 7.395 1.00 0.00 H new ATOM 0 HB2 ASP A 79 10.463 -25.371 8.552 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.178 -24.006 9.613 1.00 0.00 H new ATOM 1293 N GLU A 80 13.325 -23.785 8.419 1.00 0.00 N ATOM 1294 CA GLU A 80 14.586 -23.470 9.113 1.00 0.00 C ATOM 1295 C GLU A 80 15.372 -22.373 8.372 1.00 0.00 C ATOM 1296 O GLU A 80 16.062 -21.558 9.004 1.00 0.00 O ATOM 1297 CB GLU A 80 15.413 -24.755 9.289 1.00 0.00 C ATOM 1298 CG GLU A 80 14.695 -25.859 10.090 1.00 0.00 C ATOM 1299 CD GLU A 80 15.586 -27.077 10.378 1.00 0.00 C ATOM 1300 OE1 GLU A 80 16.473 -26.979 11.256 1.00 0.00 O ATOM 1301 OE2 GLU A 80 15.408 -28.131 9.729 1.00 0.00 O ATOM 0 H GLU A 80 13.350 -24.663 7.900 1.00 0.00 H new ATOM 0 HA GLU A 80 14.359 -23.073 10.102 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.673 -25.145 8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.348 -24.507 9.790 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.344 -25.443 11.034 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.814 -26.185 9.537 1.00 0.00 H new ATOM 1308 N LYS A 81 15.243 -22.345 7.032 1.00 0.00 N ATOM 1309 CA LYS A 81 15.759 -21.234 6.206 1.00 0.00 C ATOM 1310 C LYS A 81 15.000 -19.931 6.538 1.00 0.00 C ATOM 1311 O LYS A 81 15.613 -18.875 6.754 1.00 0.00 O ATOM 1312 CB LYS A 81 15.646 -21.559 4.689 1.00 0.00 C ATOM 1313 CG LYS A 81 16.612 -22.648 4.190 1.00 0.00 C ATOM 1314 CD LYS A 81 16.809 -22.674 2.652 1.00 0.00 C ATOM 1315 CE LYS A 81 15.564 -23.142 1.890 1.00 0.00 C ATOM 1316 NZ LYS A 81 15.240 -24.567 2.154 1.00 0.00 N ATOM 0 H LYS A 81 14.784 -23.081 6.496 1.00 0.00 H new ATOM 0 HA LYS A 81 16.815 -21.099 6.439 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.624 -21.873 4.474 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.825 -20.646 4.122 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.582 -22.502 4.666 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.242 -23.621 4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 81 17.082 -21.675 2.311 1.00 0.00 H new ATOM 0 HD3 LYS A 81 17.643 -23.332 2.410 1.00 0.00 H new ATOM 0 HE2 LYS A 81 14.714 -22.521 2.172 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.721 -23.000 0.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.284 -24.777 1.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.929 -25.176 1.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.279 -24.748 3.177 1.00 0.00 H new ATOM 1330 N LEU A 82 13.662 -20.053 6.602 1.00 0.00 N ATOM 1331 CA LEU A 82 12.747 -18.970 7.015 1.00 0.00 C ATOM 1332 C LEU A 82 13.120 -18.434 8.411 1.00 0.00 C ATOM 1333 O LEU A 82 13.095 -17.227 8.631 1.00 0.00 O ATOM 1334 CB LEU A 82 11.284 -19.497 7.021 1.00 0.00 C ATOM 1335 CG LEU A 82 10.667 -19.825 5.623 1.00 0.00 C ATOM 1336 CD1 LEU A 82 9.376 -20.664 5.738 1.00 0.00 C ATOM 1337 CD2 LEU A 82 10.407 -18.537 4.831 1.00 0.00 C ATOM 0 H LEU A 82 13.177 -20.919 6.365 1.00 0.00 H new ATOM 0 HA LEU A 82 12.837 -18.150 6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.246 -20.398 7.633 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.653 -18.754 7.509 1.00 0.00 H new ATOM 0 HG LEU A 82 11.396 -20.429 5.083 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.984 -20.867 4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.598 -21.606 6.239 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.634 -20.112 6.314 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.978 -18.787 3.861 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.712 -17.904 5.383 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.346 -18.004 4.685 1.00 0.00 H new ATOM 1349 N GLU A 83 13.489 -19.355 9.329 1.00 0.00 N ATOM 1350 CA GLU A 83 13.913 -19.013 10.703 1.00 0.00 C ATOM 1351 C GLU A 83 15.179 -18.143 10.692 1.00 0.00 C ATOM 1352 O GLU A 83 15.197 -17.106 11.331 1.00 0.00 O ATOM 1353 CB GLU A 83 14.145 -20.291 11.554 1.00 0.00 C ATOM 1354 CG GLU A 83 12.859 -21.022 11.989 1.00 0.00 C ATOM 1355 CD GLU A 83 13.116 -22.383 12.657 1.00 0.00 C ATOM 1356 OE1 GLU A 83 13.665 -22.412 13.779 1.00 0.00 O ATOM 1357 OE2 GLU A 83 12.784 -23.433 12.063 1.00 0.00 O ATOM 0 H GLU A 83 13.501 -20.357 9.137 1.00 0.00 H new ATOM 0 HA GLU A 83 13.106 -18.440 11.160 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.764 -20.983 10.983 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.710 -20.019 12.445 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.307 -20.386 12.681 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.223 -21.170 11.116 1.00 0.00 H new ATOM 1364 N LEU A 84 16.216 -18.566 9.945 1.00 0.00 N ATOM 1365 CA LEU A 84 17.497 -17.817 9.838 1.00 0.00 C ATOM 1366 C LEU A 84 17.269 -16.377 9.316 1.00 0.00 C ATOM 1367 O LEU A 84 17.825 -15.404 9.857 1.00 0.00 O ATOM 1368 CB LEU A 84 18.483 -18.589 8.925 1.00 0.00 C ATOM 1369 CG LEU A 84 18.941 -19.986 9.467 1.00 0.00 C ATOM 1370 CD1 LEU A 84 19.693 -20.790 8.391 1.00 0.00 C ATOM 1371 CD2 LEU A 84 19.799 -19.838 10.748 1.00 0.00 C ATOM 0 H LEU A 84 16.198 -19.428 9.400 1.00 0.00 H new ATOM 0 HA LEU A 84 17.931 -17.733 10.834 1.00 0.00 H new ATOM 0 HB2 LEU A 84 18.015 -18.731 7.951 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.367 -17.971 8.767 1.00 0.00 H new ATOM 0 HG LEU A 84 18.041 -20.543 9.728 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.996 -21.753 8.802 1.00 0.00 H new ATOM 0 HD12 LEU A 84 19.039 -20.950 7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.577 -20.236 8.075 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.101 -20.825 11.099 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.686 -19.245 10.525 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.215 -19.340 11.522 1.00 0.00 H new ATOM 1383 N LEU A 85 16.403 -16.265 8.293 1.00 0.00 N ATOM 1384 CA LEU A 85 15.991 -14.970 7.714 1.00 0.00 C ATOM 1385 C LEU A 85 15.240 -14.098 8.750 1.00 0.00 C ATOM 1386 O LEU A 85 15.472 -12.892 8.854 1.00 0.00 O ATOM 1387 CB LEU A 85 15.076 -15.211 6.486 1.00 0.00 C ATOM 1388 CG LEU A 85 15.723 -15.957 5.279 1.00 0.00 C ATOM 1389 CD1 LEU A 85 14.676 -16.262 4.188 1.00 0.00 C ATOM 1390 CD2 LEU A 85 16.918 -15.161 4.706 1.00 0.00 C ATOM 0 H LEU A 85 15.968 -17.070 7.843 1.00 0.00 H new ATOM 0 HA LEU A 85 16.893 -14.439 7.409 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.206 -15.780 6.814 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.712 -14.245 6.136 1.00 0.00 H new ATOM 0 HG LEU A 85 16.107 -16.910 5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.155 -16.782 3.359 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.889 -16.891 4.605 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.243 -15.329 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.349 -15.706 3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 85 16.575 -14.183 4.367 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.674 -15.032 5.481 1.00 0.00 H new ATOM 1402 N SER A 86 14.339 -14.734 9.515 1.00 0.00 N ATOM 1403 CA SER A 86 13.487 -14.051 10.510 1.00 0.00 C ATOM 1404 C SER A 86 14.264 -13.728 11.795 1.00 0.00 C ATOM 1405 O SER A 86 13.828 -12.895 12.597 1.00 0.00 O ATOM 1406 CB SER A 86 12.274 -14.932 10.830 1.00 0.00 C ATOM 1407 OG SER A 86 11.548 -15.226 9.654 1.00 0.00 O ATOM 0 H SER A 86 14.178 -15.740 9.463 1.00 0.00 H new ATOM 0 HA SER A 86 13.154 -13.105 10.084 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.604 -15.858 11.301 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.627 -14.424 11.545 1.00 0.00 H new ATOM 0 HG SER A 86 12.067 -15.841 9.095 1.00 0.00 H new ATOM 1413 N SER A 87 15.400 -14.419 11.990 1.00 0.00 N ATOM 1414 CA SER A 87 16.297 -14.204 13.130 1.00 0.00 C ATOM 1415 C SER A 87 17.247 -13.034 12.848 1.00 0.00 C ATOM 1416 O SER A 87 17.643 -12.315 13.777 1.00 0.00 O ATOM 1417 CB SER A 87 17.090 -15.492 13.442 1.00 0.00 C ATOM 1418 OG SER A 87 16.217 -16.545 13.825 1.00 0.00 O ATOM 0 H SER A 87 15.721 -15.148 11.353 1.00 0.00 H new ATOM 0 HA SER A 87 15.697 -13.953 14.005 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.665 -15.791 12.565 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.805 -15.299 14.241 1.00 0.00 H new ATOM 0 HG SER A 87 15.746 -16.883 13.035 1.00 0.00 H new ATOM 1424 N ASP A 88 17.609 -12.836 11.561 1.00 0.00 N ATOM 1425 CA ASP A 88 18.508 -11.736 11.168 1.00 0.00 C ATOM 1426 C ASP A 88 18.110 -11.137 9.810 1.00 0.00 C ATOM 1427 O ASP A 88 18.120 -11.837 8.791 1.00 0.00 O ATOM 1428 CB ASP A 88 19.968 -12.243 11.119 1.00 0.00 C ATOM 1429 CG ASP A 88 21.001 -11.115 10.984 1.00 0.00 C ATOM 1430 OD1 ASP A 88 20.912 -10.105 11.725 1.00 0.00 O ATOM 1431 OD2 ASP A 88 21.900 -11.225 10.140 1.00 0.00 O ATOM 0 H ASP A 88 17.294 -13.419 10.786 1.00 0.00 H new ATOM 0 HA ASP A 88 18.421 -10.947 11.916 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.178 -12.811 12.025 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.079 -12.929 10.279 1.00 0.00 H new ATOM 1436 N GLY A 89 17.788 -9.829 9.812 1.00 0.00 N ATOM 1437 CA GLY A 89 17.466 -9.092 8.588 1.00 0.00 C ATOM 1438 C GLY A 89 18.679 -8.844 7.698 1.00 0.00 C ATOM 1439 O GLY A 89 18.531 -8.599 6.503 1.00 0.00 O ATOM 0 H GLY A 89 17.746 -9.262 10.659 1.00 0.00 H new ATOM 0 HA2 GLY A 89 16.717 -9.648 8.024 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.018 -8.135 8.855 1.00 0.00 H new ATOM 1443 N MET A 90 19.883 -8.899 8.285 1.00 0.00 N ATOM 1444 CA MET A 90 21.139 -8.786 7.523 1.00 0.00 C ATOM 1445 C MET A 90 21.458 -10.123 6.812 1.00 0.00 C ATOM 1446 O MET A 90 22.216 -10.153 5.839 1.00 0.00 O ATOM 1447 CB MET A 90 22.299 -8.365 8.460 1.00 0.00 C ATOM 1448 CG MET A 90 22.121 -7.060 9.261 1.00 0.00 C ATOM 1449 SD MET A 90 22.441 -5.538 8.326 1.00 0.00 S ATOM 1450 CE MET A 90 20.991 -5.345 7.302 1.00 0.00 C ATOM 0 H MET A 90 20.016 -9.021 9.289 1.00 0.00 H new ATOM 0 HA MET A 90 21.021 -8.016 6.761 1.00 0.00 H new ATOM 0 HB2 MET A 90 22.472 -9.175 9.169 1.00 0.00 H new ATOM 0 HB3 MET A 90 23.202 -8.271 7.857 1.00 0.00 H new ATOM 0 HG2 MET A 90 21.102 -7.024 9.647 1.00 0.00 H new ATOM 0 HG3 MET A 90 22.788 -7.086 10.123 1.00 0.00 H new ATOM 0 HE1 MET A 90 21.292 -5.263 6.257 1.00 0.00 H new ATOM 0 HE2 MET A 90 20.340 -6.211 7.425 1.00 0.00 H new ATOM 0 HE3 MET A 90 20.455 -4.443 7.597 1.00 0.00 H new ATOM 1460 N LEU A 91 20.903 -11.240 7.347 1.00 0.00 N ATOM 1461 CA LEU A 91 20.934 -12.563 6.679 1.00 0.00 C ATOM 1462 C LEU A 91 19.994 -12.591 5.470 1.00 0.00 C ATOM 1463 O LEU A 91 20.163 -13.425 4.573 1.00 0.00 O ATOM 1464 CB LEU A 91 20.593 -13.723 7.679 1.00 0.00 C ATOM 1465 CG LEU A 91 21.804 -14.367 8.418 1.00 0.00 C ATOM 1466 CD1 LEU A 91 21.357 -15.552 9.307 1.00 0.00 C ATOM 1467 CD2 LEU A 91 22.886 -14.797 7.402 1.00 0.00 C ATOM 0 H LEU A 91 20.425 -11.248 8.248 1.00 0.00 H new ATOM 0 HA LEU A 91 21.951 -12.724 6.322 1.00 0.00 H new ATOM 0 HB2 LEU A 91 19.899 -13.339 8.427 1.00 0.00 H new ATOM 0 HB3 LEU A 91 20.069 -14.506 7.131 1.00 0.00 H new ATOM 0 HG LEU A 91 22.239 -13.618 9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 91 22.226 -15.979 9.808 1.00 0.00 H new ATOM 0 HD12 LEU A 91 20.645 -15.199 10.053 1.00 0.00 H new ATOM 0 HD13 LEU A 91 20.885 -16.314 8.687 1.00 0.00 H new ATOM 0 HD21 LEU A 91 23.726 -15.245 7.933 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.465 -15.525 6.708 1.00 0.00 H new ATOM 0 HD23 LEU A 91 23.231 -13.925 6.847 1.00 0.00 H new ATOM 1479 N VAL A 92 18.995 -11.700 5.478 1.00 0.00 N ATOM 1480 CA VAL A 92 18.142 -11.452 4.306 1.00 0.00 C ATOM 1481 C VAL A 92 18.858 -10.454 3.370 1.00 0.00 C ATOM 1482 O VAL A 92 19.755 -9.708 3.805 1.00 0.00 O ATOM 1483 CB VAL A 92 16.718 -10.888 4.704 1.00 0.00 C ATOM 1484 CG1 VAL A 92 15.702 -10.973 3.526 1.00 0.00 C ATOM 1485 CG2 VAL A 92 16.165 -11.601 5.949 1.00 0.00 C ATOM 0 H VAL A 92 18.755 -11.133 6.291 1.00 0.00 H new ATOM 0 HA VAL A 92 17.978 -12.404 3.801 1.00 0.00 H new ATOM 0 HB VAL A 92 16.853 -9.833 4.943 1.00 0.00 H new ATOM 0 HG11 VAL A 92 14.739 -10.575 3.846 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.073 -10.391 2.683 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.582 -12.013 3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.186 -11.192 6.198 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.072 -12.668 5.746 1.00 0.00 H new ATOM 0 HG23 VAL A 92 16.845 -11.449 6.787 1.00 0.00 H new ATOM 1495 N LYS A 93 18.478 -10.475 2.085 1.00 0.00 N ATOM 1496 CA LYS A 93 18.897 -9.466 1.115 1.00 0.00 C ATOM 1497 C LYS A 93 18.393 -8.091 1.574 1.00 0.00 C ATOM 1498 O LYS A 93 17.175 -7.898 1.717 1.00 0.00 O ATOM 1499 CB LYS A 93 18.323 -9.797 -0.286 1.00 0.00 C ATOM 1500 CG LYS A 93 18.893 -11.080 -0.937 1.00 0.00 C ATOM 1501 CD LYS A 93 20.329 -10.902 -1.484 1.00 0.00 C ATOM 1502 CE LYS A 93 20.399 -9.926 -2.673 1.00 0.00 C ATOM 1503 NZ LYS A 93 21.780 -9.801 -3.194 1.00 0.00 N ATOM 0 H LYS A 93 17.871 -11.195 1.693 1.00 0.00 H new ATOM 0 HA LYS A 93 19.985 -9.457 1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.241 -9.898 -0.205 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.515 -8.954 -0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.889 -11.885 -0.202 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.237 -11.388 -1.751 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.975 -10.540 -0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 93 20.718 -11.872 -1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.739 -10.272 -3.468 1.00 0.00 H new ATOM 0 HE3 LYS A 93 20.036 -8.946 -2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 21.790 -9.136 -3.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 22.404 -9.447 -2.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 22.116 -10.732 -3.513 1.00 0.00 H new ATOM 1517 N ARG A 94 19.340 -7.174 1.844 1.00 0.00 N ATOM 1518 CA ARG A 94 19.026 -5.780 2.176 1.00 0.00 C ATOM 1519 C ARG A 94 18.177 -5.151 1.043 1.00 0.00 C ATOM 1520 O ARG A 94 17.070 -4.734 1.328 1.00 0.00 O ATOM 1521 CB ARG A 94 20.314 -4.959 2.482 1.00 0.00 C ATOM 1522 CG ARG A 94 21.208 -5.592 3.566 1.00 0.00 C ATOM 1523 CD ARG A 94 22.514 -4.818 3.814 1.00 0.00 C ATOM 1524 NE ARG A 94 23.320 -5.460 4.868 1.00 0.00 N ATOM 1525 CZ ARG A 94 24.313 -4.891 5.557 1.00 0.00 C ATOM 1526 NH1 ARG A 94 24.749 -3.670 5.270 1.00 0.00 N ATOM 1527 NH2 ARG A 94 24.872 -5.556 6.545 1.00 0.00 N ATOM 0 H ARG A 94 20.339 -7.381 1.837 1.00 0.00 H new ATOM 0 HA ARG A 94 18.434 -5.759 3.091 1.00 0.00 H new ATOM 0 HB2 ARG A 94 20.892 -4.851 1.564 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.028 -3.956 2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 94 20.647 -5.651 4.499 1.00 0.00 H new ATOM 0 HG3 ARG A 94 21.450 -6.614 3.274 1.00 0.00 H new ATOM 0 HD2 ARG A 94 23.091 -4.767 2.891 1.00 0.00 H new ATOM 0 HD3 ARG A 94 22.283 -3.792 4.102 1.00 0.00 H new ATOM 0 HE ARG A 94 23.099 -6.430 5.092 1.00 0.00 H new ATOM 0 HH11 ARG A 94 24.324 -3.143 4.507 1.00 0.00 H new ATOM 0 HH12 ARG A 94 25.509 -3.259 5.812 1.00 0.00 H new ATOM 0 HH21 ARG A 94 24.546 -6.494 6.777 1.00 0.00 H new ATOM 0 HH22 ARG A 94 25.631 -5.133 7.079 1.00 0.00 H new ATOM 1541 N PRO A 95 18.620 -5.153 -0.275 1.00 0.00 N ATOM 1542 CA PRO A 95 17.745 -4.713 -1.372 1.00 0.00 C ATOM 1543 C PRO A 95 16.712 -5.809 -1.743 1.00 0.00 C ATOM 1544 O PRO A 95 17.048 -6.839 -2.342 1.00 0.00 O ATOM 1545 CB PRO A 95 18.735 -4.421 -2.516 1.00 0.00 C ATOM 1546 CG PRO A 95 19.874 -5.369 -2.292 1.00 0.00 C ATOM 1547 CD PRO A 95 19.961 -5.573 -0.794 1.00 0.00 C ATOM 0 HA PRO A 95 17.137 -3.844 -1.121 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.272 -4.582 -3.490 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.073 -3.385 -2.491 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.700 -6.315 -2.805 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.805 -4.960 -2.684 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.173 -6.613 -0.548 1.00 0.00 H new ATOM 0 HD3 PRO A 95 20.760 -4.973 -0.358 1.00 0.00 H new ATOM 1555 N LEU A 96 15.475 -5.590 -1.305 1.00 0.00 N ATOM 1556 CA LEU A 96 14.311 -6.416 -1.657 1.00 0.00 C ATOM 1557 C LEU A 96 13.114 -5.470 -1.823 1.00 0.00 C ATOM 1558 O LEU A 96 13.015 -4.461 -1.135 1.00 0.00 O ATOM 1559 CB LEU A 96 14.078 -7.524 -0.558 1.00 0.00 C ATOM 1560 CG LEU A 96 12.767 -8.410 -0.655 1.00 0.00 C ATOM 1561 CD1 LEU A 96 12.967 -9.820 -0.038 1.00 0.00 C ATOM 1562 CD2 LEU A 96 11.546 -7.739 0.010 1.00 0.00 C ATOM 0 H LEU A 96 15.243 -4.817 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 96 14.464 -6.954 -2.592 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.936 -8.196 -0.575 1.00 0.00 H new ATOM 0 HB3 LEU A 96 14.077 -7.033 0.415 1.00 0.00 H new ATOM 0 HG LEU A 96 12.569 -8.512 -1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.043 -10.391 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.766 -10.339 -0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.233 -9.722 1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.676 -8.389 -0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.756 -7.567 1.066 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.343 -6.787 -0.480 1.00 0.00 H new ATOM 1574 N ALA A 97 12.227 -5.792 -2.757 1.00 0.00 N ATOM 1575 CA ALA A 97 10.960 -5.081 -2.947 1.00 0.00 C ATOM 1576 C ALA A 97 9.875 -6.129 -3.163 1.00 0.00 C ATOM 1577 O ALA A 97 9.946 -6.878 -4.127 1.00 0.00 O ATOM 1578 CB ALA A 97 11.052 -4.103 -4.133 1.00 0.00 C ATOM 0 H ALA A 97 12.365 -6.561 -3.412 1.00 0.00 H new ATOM 0 HA ALA A 97 10.722 -4.478 -2.071 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.099 -3.587 -4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.838 -3.373 -3.942 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.283 -4.656 -5.043 1.00 0.00 H new ATOM 1584 N VAL A 98 8.915 -6.223 -2.240 1.00 0.00 N ATOM 1585 CA VAL A 98 7.819 -7.206 -2.315 1.00 0.00 C ATOM 1586 C VAL A 98 6.471 -6.494 -2.177 1.00 0.00 C ATOM 1587 O VAL A 98 6.381 -5.415 -1.595 1.00 0.00 O ATOM 1588 CB VAL A 98 7.971 -8.337 -1.211 1.00 0.00 C ATOM 1589 CG1 VAL A 98 7.823 -7.791 0.234 1.00 0.00 C ATOM 1590 CG2 VAL A 98 7.003 -9.522 -1.465 1.00 0.00 C ATOM 0 H VAL A 98 8.871 -5.622 -1.417 1.00 0.00 H new ATOM 0 HA VAL A 98 7.867 -7.694 -3.288 1.00 0.00 H new ATOM 0 HB VAL A 98 8.990 -8.712 -1.301 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.936 -8.609 0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.591 -7.040 0.420 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.838 -7.340 0.353 1.00 0.00 H new ATOM 0 HG21 VAL A 98 7.138 -10.275 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.974 -9.162 -1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 98 7.216 -9.963 -2.439 1.00 0.00 H new ATOM 1600 N MET A 99 5.434 -7.102 -2.741 1.00 0.00 N ATOM 1601 CA MET A 99 4.047 -6.645 -2.612 1.00 0.00 C ATOM 1602 C MET A 99 3.202 -7.888 -2.234 1.00 0.00 C ATOM 1603 O MET A 99 3.694 -8.758 -1.500 1.00 0.00 O ATOM 1604 CB MET A 99 3.591 -5.977 -3.952 1.00 0.00 C ATOM 1605 CG MET A 99 2.495 -4.898 -3.791 1.00 0.00 C ATOM 1606 SD MET A 99 1.500 -4.646 -5.287 1.00 0.00 S ATOM 1607 CE MET A 99 2.739 -4.278 -6.523 1.00 0.00 C ATOM 0 H MET A 99 5.531 -7.942 -3.312 1.00 0.00 H new ATOM 0 HA MET A 99 3.926 -5.886 -1.839 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.459 -5.526 -4.432 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.223 -6.753 -4.623 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.836 -5.181 -2.970 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.964 -3.954 -3.513 1.00 0.00 H new ATOM 0 HE1 MET A 99 2.415 -3.426 -7.120 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.683 -4.040 -6.032 1.00 0.00 H new ATOM 0 HE3 MET A 99 2.875 -5.144 -7.171 1.00 0.00 H new ATOM 1617 N GLY A 100 1.939 -7.974 -2.706 1.00 0.00 N ATOM 1618 CA GLY A 100 1.120 -9.167 -2.507 1.00 0.00 C ATOM 1619 C GLY A 100 1.606 -10.346 -3.344 1.00 0.00 C ATOM 1620 O GLY A 100 2.145 -11.314 -2.811 1.00 0.00 O ATOM 0 H GLY A 100 1.475 -7.228 -3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.133 -9.443 -1.452 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.085 -8.942 -2.765 1.00 0.00 H new ATOM 1624 N ASP A 101 1.439 -10.240 -4.672 1.00 0.00 N ATOM 1625 CA ASP A 101 1.741 -11.329 -5.630 1.00 0.00 C ATOM 1626 C ASP A 101 2.951 -10.991 -6.540 1.00 0.00 C ATOM 1627 O ASP A 101 3.261 -11.753 -7.465 1.00 0.00 O ATOM 1628 CB ASP A 101 0.476 -11.627 -6.480 1.00 0.00 C ATOM 1629 CG ASP A 101 0.000 -10.416 -7.311 1.00 0.00 C ATOM 1630 OD1 ASP A 101 -0.792 -9.594 -6.799 1.00 0.00 O ATOM 1631 OD2 ASP A 101 0.439 -10.261 -8.465 1.00 0.00 O ATOM 0 H ASP A 101 1.089 -9.393 -5.119 1.00 0.00 H new ATOM 0 HA ASP A 101 2.019 -12.217 -5.062 1.00 0.00 H new ATOM 0 HB2 ASP A 101 0.686 -12.460 -7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -0.331 -11.945 -5.819 1.00 0.00 H new ATOM 1636 N LYS A 102 3.647 -9.865 -6.264 1.00 0.00 N ATOM 1637 CA LYS A 102 4.818 -9.397 -7.069 1.00 0.00 C ATOM 1638 C LYS A 102 6.052 -9.168 -6.166 1.00 0.00 C ATOM 1639 O LYS A 102 5.892 -8.832 -4.992 1.00 0.00 O ATOM 1640 CB LYS A 102 4.462 -8.089 -7.836 1.00 0.00 C ATOM 1641 CG LYS A 102 3.401 -8.244 -8.954 1.00 0.00 C ATOM 1642 CD LYS A 102 3.771 -9.343 -9.987 1.00 0.00 C ATOM 1643 CE LYS A 102 2.883 -9.311 -11.245 1.00 0.00 C ATOM 1644 NZ LYS A 102 1.428 -9.363 -10.936 1.00 0.00 N ATOM 0 H LYS A 102 3.421 -9.251 -5.482 1.00 0.00 H new ATOM 0 HA LYS A 102 5.063 -10.174 -7.793 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.103 -7.352 -7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.374 -7.686 -8.277 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.438 -8.485 -8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.282 -7.292 -9.471 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.813 -9.221 -10.282 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.686 -10.321 -9.514 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.096 -8.403 -11.809 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.142 -10.153 -11.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 0.951 -9.990 -11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.291 -9.729 -9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.024 -8.407 -11.005 1.00 0.00 H new ATOM 1658 N ILE A 103 7.280 -9.329 -6.731 1.00 0.00 N ATOM 1659 CA ILE A 103 8.548 -9.208 -5.958 1.00 0.00 C ATOM 1660 C ILE A 103 9.779 -9.045 -6.902 1.00 0.00 C ATOM 1661 O ILE A 103 9.737 -9.467 -8.065 1.00 0.00 O ATOM 1662 CB ILE A 103 8.753 -10.458 -5.011 1.00 0.00 C ATOM 1663 CG1 ILE A 103 9.891 -10.222 -3.954 1.00 0.00 C ATOM 1664 CG2 ILE A 103 9.010 -11.737 -5.844 1.00 0.00 C ATOM 1665 CD1 ILE A 103 9.995 -11.290 -2.873 1.00 0.00 C ATOM 0 H ILE A 103 7.418 -9.543 -7.719 1.00 0.00 H new ATOM 0 HA ILE A 103 8.469 -8.311 -5.344 1.00 0.00 H new ATOM 0 HB ILE A 103 7.830 -10.597 -4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.845 -10.161 -4.477 1.00 0.00 H new ATOM 0 HG13 ILE A 103 9.728 -9.256 -3.476 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.149 -12.586 -5.174 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.157 -11.924 -6.496 1.00 0.00 H new ATOM 0 HG23 ILE A 103 9.906 -11.603 -6.450 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.808 -11.040 -2.191 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.058 -11.338 -2.318 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.193 -12.257 -3.335 1.00 0.00 H new ATOM 1677 N THR A 104 10.855 -8.413 -6.378 1.00 0.00 N ATOM 1678 CA THR A 104 12.174 -8.277 -7.039 1.00 0.00 C ATOM 1679 C THR A 104 13.286 -8.341 -5.964 1.00 0.00 C ATOM 1680 O THR A 104 13.169 -7.690 -4.917 1.00 0.00 O ATOM 1681 CB THR A 104 12.299 -6.927 -7.834 1.00 0.00 C ATOM 1682 OG1 THR A 104 11.919 -5.822 -6.992 1.00 0.00 O ATOM 1683 CG2 THR A 104 11.450 -6.906 -9.120 1.00 0.00 C ATOM 0 H THR A 104 10.829 -7.972 -5.459 1.00 0.00 H new ATOM 0 HA THR A 104 12.278 -9.094 -7.753 1.00 0.00 H new ATOM 0 HB THR A 104 13.343 -6.836 -8.133 1.00 0.00 H new ATOM 0 HG1 THR A 104 10.942 -5.757 -6.959 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.578 -5.949 -9.625 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.771 -7.711 -9.781 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.399 -7.044 -8.865 1.00 0.00 H new ATOM 1691 N LEU A 105 14.353 -9.137 -6.216 1.00 0.00 N ATOM 1692 CA LEU A 105 15.503 -9.284 -5.277 1.00 0.00 C ATOM 1693 C LEU A 105 16.776 -8.664 -5.865 1.00 0.00 C ATOM 1694 O LEU A 105 17.192 -9.022 -6.968 1.00 0.00 O ATOM 1695 CB LEU A 105 15.755 -10.784 -4.912 1.00 0.00 C ATOM 1696 CG LEU A 105 15.035 -11.315 -3.642 1.00 0.00 C ATOM 1697 CD1 LEU A 105 15.551 -10.601 -2.388 1.00 0.00 C ATOM 1698 CD2 LEU A 105 13.507 -11.207 -3.768 1.00 0.00 C ATOM 0 H LEU A 105 14.445 -9.693 -7.066 1.00 0.00 H new ATOM 0 HA LEU A 105 15.244 -8.749 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 105 15.450 -11.398 -5.760 1.00 0.00 H new ATOM 0 HB3 LEU A 105 16.828 -10.929 -4.783 1.00 0.00 H new ATOM 0 HG LEU A 105 15.269 -12.375 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.034 -10.988 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 105 16.622 -10.776 -2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.365 -9.531 -2.476 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.039 -11.588 -2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.226 -10.163 -3.910 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.170 -11.793 -4.623 1.00 0.00 H new ATOM 1710 N GLY A 106 17.412 -7.780 -5.078 1.00 0.00 N ATOM 1711 CA GLY A 106 18.607 -7.046 -5.502 1.00 0.00 C ATOM 1712 C GLY A 106 18.315 -5.993 -6.565 1.00 0.00 C ATOM 1713 O GLY A 106 17.146 -5.719 -6.872 1.00 0.00 O ATOM 0 H GLY A 106 17.109 -7.557 -4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 106 19.057 -6.563 -4.634 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.341 -7.752 -5.890 1.00 0.00 H new ATOM 1717 N PHE A 107 19.384 -5.387 -7.129 1.00 0.00 N ATOM 1718 CA PHE A 107 19.244 -4.443 -8.248 1.00 0.00 C ATOM 1719 C PHE A 107 18.984 -5.231 -9.537 1.00 0.00 C ATOM 1720 O PHE A 107 19.917 -5.746 -10.169 1.00 0.00 O ATOM 1721 CB PHE A 107 20.487 -3.527 -8.419 1.00 0.00 C ATOM 1722 CG PHE A 107 20.241 -2.387 -9.416 1.00 0.00 C ATOM 1723 CD1 PHE A 107 19.466 -1.282 -9.052 1.00 0.00 C ATOM 1724 CD2 PHE A 107 20.767 -2.424 -10.709 1.00 0.00 C ATOM 1725 CE1 PHE A 107 19.218 -0.261 -9.951 1.00 0.00 C ATOM 1726 CE2 PHE A 107 20.519 -1.401 -11.605 1.00 0.00 C ATOM 1727 CZ PHE A 107 19.751 -0.315 -11.223 1.00 0.00 C ATOM 0 H PHE A 107 20.346 -5.537 -6.826 1.00 0.00 H new ATOM 0 HA PHE A 107 18.402 -3.786 -8.028 1.00 0.00 H new ATOM 0 HB2 PHE A 107 20.761 -3.107 -7.451 1.00 0.00 H new ATOM 0 HB3 PHE A 107 21.332 -4.126 -8.758 1.00 0.00 H new ATOM 0 HD1 PHE A 107 19.055 -1.225 -8.055 1.00 0.00 H new ATOM 0 HD2 PHE A 107 21.376 -3.263 -11.013 1.00 0.00 H new ATOM 0 HE1 PHE A 107 18.607 0.580 -9.658 1.00 0.00 H new ATOM 0 HE2 PHE A 107 20.925 -1.449 -12.605 1.00 0.00 H new ATOM 0 HZ PHE A 107 19.569 0.490 -11.920 1.00 0.00 H new ATOM 1737 N LYS A 108 17.708 -5.382 -9.868 1.00 0.00 N ATOM 1738 CA LYS A 108 17.263 -6.029 -11.099 1.00 0.00 C ATOM 1739 C LYS A 108 16.405 -5.032 -11.868 1.00 0.00 C ATOM 1740 O LYS A 108 15.190 -5.044 -11.724 1.00 0.00 O ATOM 1741 CB LYS A 108 16.451 -7.318 -10.779 1.00 0.00 C ATOM 1742 CG LYS A 108 17.218 -8.413 -10.015 1.00 0.00 C ATOM 1743 CD LYS A 108 18.380 -9.015 -10.829 1.00 0.00 C ATOM 1744 CE LYS A 108 19.056 -10.185 -10.103 1.00 0.00 C ATOM 1745 NZ LYS A 108 20.107 -10.818 -10.935 1.00 0.00 N ATOM 0 H LYS A 108 16.941 -5.054 -9.281 1.00 0.00 H new ATOM 0 HA LYS A 108 18.123 -6.326 -11.699 1.00 0.00 H new ATOM 0 HB2 LYS A 108 15.574 -7.038 -10.195 1.00 0.00 H new ATOM 0 HB3 LYS A 108 16.088 -7.740 -11.716 1.00 0.00 H new ATOM 0 HG2 LYS A 108 17.610 -7.995 -9.088 1.00 0.00 H new ATOM 0 HG3 LYS A 108 16.526 -9.208 -9.738 1.00 0.00 H new ATOM 0 HD2 LYS A 108 18.006 -9.357 -11.794 1.00 0.00 H new ATOM 0 HD3 LYS A 108 19.119 -8.240 -11.030 1.00 0.00 H new ATOM 0 HE2 LYS A 108 19.496 -9.829 -9.171 1.00 0.00 H new ATOM 0 HE3 LYS A 108 18.306 -10.930 -9.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 20.540 -11.604 -10.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 19.683 -11.181 -11.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 20.836 -10.114 -11.168 1.00 0.00 H new ATOM 1759 N GLU A 109 17.048 -4.129 -12.634 1.00 0.00 N ATOM 1760 CA GLU A 109 16.342 -3.084 -13.410 1.00 0.00 C ATOM 1761 C GLU A 109 15.387 -3.720 -14.439 1.00 0.00 C ATOM 1762 O GLU A 109 14.268 -3.224 -14.665 1.00 0.00 O ATOM 1763 CB GLU A 109 17.354 -2.143 -14.117 1.00 0.00 C ATOM 1764 CG GLU A 109 16.698 -0.946 -14.842 1.00 0.00 C ATOM 1765 CD GLU A 109 17.689 -0.087 -15.641 1.00 0.00 C ATOM 1766 OE1 GLU A 109 17.971 -0.428 -16.813 1.00 0.00 O ATOM 1767 OE2 GLU A 109 18.204 0.919 -15.101 1.00 0.00 O ATOM 0 H GLU A 109 18.063 -4.101 -12.734 1.00 0.00 H new ATOM 0 HA GLU A 109 15.751 -2.489 -12.714 1.00 0.00 H new ATOM 0 HB2 GLU A 109 18.060 -1.764 -13.378 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.929 -2.722 -14.840 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.929 -1.320 -15.518 1.00 0.00 H new ATOM 0 HG3 GLU A 109 16.198 -0.317 -14.106 1.00 0.00 H new ATOM 1774 N ASP A 110 15.837 -4.846 -15.027 1.00 0.00 N ATOM 1775 CA ASP A 110 15.039 -5.612 -15.995 1.00 0.00 C ATOM 1776 C ASP A 110 13.804 -6.222 -15.299 1.00 0.00 C ATOM 1777 O ASP A 110 12.698 -6.109 -15.817 1.00 0.00 O ATOM 1778 CB ASP A 110 15.894 -6.705 -16.688 1.00 0.00 C ATOM 1779 CG ASP A 110 15.180 -7.379 -17.881 1.00 0.00 C ATOM 1780 OD1 ASP A 110 14.445 -8.371 -17.679 1.00 0.00 O ATOM 1781 OD2 ASP A 110 15.349 -6.911 -19.035 1.00 0.00 O ATOM 0 H ASP A 110 16.758 -5.245 -14.844 1.00 0.00 H new ATOM 0 HA ASP A 110 14.694 -4.932 -16.774 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.826 -6.260 -17.036 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.159 -7.467 -15.955 1.00 0.00 H new ATOM 1786 N GLN A 111 13.992 -6.840 -14.108 1.00 0.00 N ATOM 1787 CA GLN A 111 12.865 -7.358 -13.307 1.00 0.00 C ATOM 1788 C GLN A 111 12.014 -6.227 -12.699 1.00 0.00 C ATOM 1789 O GLN A 111 10.861 -6.457 -12.394 1.00 0.00 O ATOM 1790 CB GLN A 111 13.348 -8.319 -12.197 1.00 0.00 C ATOM 1791 CG GLN A 111 13.992 -9.614 -12.715 1.00 0.00 C ATOM 1792 CD GLN A 111 12.992 -10.568 -13.375 1.00 0.00 C ATOM 1793 OE1 GLN A 111 12.748 -10.504 -14.582 1.00 0.00 O ATOM 1794 NE2 GLN A 111 12.401 -11.458 -12.586 1.00 0.00 N ATOM 0 H GLN A 111 14.909 -6.990 -13.686 1.00 0.00 H new ATOM 0 HA GLN A 111 12.233 -7.918 -13.996 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.068 -7.796 -11.568 1.00 0.00 H new ATOM 0 HB3 GLN A 111 12.500 -8.578 -11.563 1.00 0.00 H new ATOM 0 HG2 GLN A 111 14.771 -9.361 -13.434 1.00 0.00 H new ATOM 0 HG3 GLN A 111 14.479 -10.126 -11.885 1.00 0.00 H new ATOM 0 HE21 GLN A 111 12.624 -11.486 -11.591 1.00 0.00 H new ATOM 0 HE22 GLN A 111 11.724 -12.114 -12.975 1.00 0.00 H new ATOM 1803 N TYR A 112 12.571 -5.009 -12.527 1.00 0.00 N ATOM 1804 CA TYR A 112 11.790 -3.857 -12.016 1.00 0.00 C ATOM 1805 C TYR A 112 10.744 -3.457 -13.068 1.00 0.00 C ATOM 1806 O TYR A 112 9.565 -3.259 -12.748 1.00 0.00 O ATOM 1807 CB TYR A 112 12.684 -2.628 -11.648 1.00 0.00 C ATOM 1808 CG TYR A 112 13.602 -2.764 -10.413 1.00 0.00 C ATOM 1809 CD1 TYR A 112 13.265 -3.567 -9.323 1.00 0.00 C ATOM 1810 CD2 TYR A 112 14.810 -2.053 -10.338 1.00 0.00 C ATOM 1811 CE1 TYR A 112 14.095 -3.663 -8.216 1.00 0.00 C ATOM 1812 CE2 TYR A 112 15.638 -2.154 -9.237 1.00 0.00 C ATOM 1813 CZ TYR A 112 15.277 -2.956 -8.180 1.00 0.00 C ATOM 1814 OH TYR A 112 16.102 -3.050 -7.079 1.00 0.00 O ATOM 0 H TYR A 112 13.548 -4.797 -12.731 1.00 0.00 H new ATOM 0 HA TYR A 112 11.304 -4.170 -11.092 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.310 -2.396 -12.510 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.030 -1.771 -11.489 1.00 0.00 H new ATOM 0 HD1 TYR A 112 12.340 -4.124 -9.342 1.00 0.00 H new ATOM 0 HD2 TYR A 112 15.098 -1.413 -11.159 1.00 0.00 H new ATOM 0 HE1 TYR A 112 13.815 -4.291 -7.383 1.00 0.00 H new ATOM 0 HE2 TYR A 112 16.567 -1.604 -9.206 1.00 0.00 H new ATOM 0 HH TYR A 112 16.455 -3.962 -7.012 1.00 0.00 H new ATOM 1824 N LYS A 113 11.183 -3.381 -14.341 1.00 0.00 N ATOM 1825 CA LYS A 113 10.287 -3.049 -15.463 1.00 0.00 C ATOM 1826 C LYS A 113 9.407 -4.257 -15.862 1.00 0.00 C ATOM 1827 O LYS A 113 8.332 -4.079 -16.429 1.00 0.00 O ATOM 1828 CB LYS A 113 11.088 -2.454 -16.676 1.00 0.00 C ATOM 1829 CG LYS A 113 12.057 -3.411 -17.431 1.00 0.00 C ATOM 1830 CD LYS A 113 11.353 -4.301 -18.494 1.00 0.00 C ATOM 1831 CE LYS A 113 12.292 -5.314 -19.163 1.00 0.00 C ATOM 1832 NZ LYS A 113 11.580 -6.171 -20.152 1.00 0.00 N ATOM 0 H LYS A 113 12.152 -3.545 -14.615 1.00 0.00 H new ATOM 0 HA LYS A 113 9.604 -2.268 -15.128 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.369 -2.065 -17.397 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.667 -1.605 -16.314 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.830 -2.819 -17.920 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.558 -4.053 -16.706 1.00 0.00 H new ATOM 0 HD2 LYS A 113 10.531 -4.837 -18.020 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.916 -3.661 -19.261 1.00 0.00 H new ATOM 0 HE2 LYS A 113 13.102 -4.782 -19.662 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.748 -5.944 -18.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 12.257 -6.521 -20.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.143 -6.978 -19.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 10.841 -5.613 -20.626 1.00 0.00 H new ATOM 1846 N GLU A 114 9.884 -5.484 -15.580 1.00 0.00 N ATOM 1847 CA GLU A 114 9.178 -6.728 -15.970 1.00 0.00 C ATOM 1848 C GLU A 114 8.089 -7.091 -14.941 1.00 0.00 C ATOM 1849 O GLU A 114 7.058 -7.678 -15.294 1.00 0.00 O ATOM 1850 CB GLU A 114 10.190 -7.903 -16.128 1.00 0.00 C ATOM 1851 CG GLU A 114 9.650 -9.141 -16.874 1.00 0.00 C ATOM 1852 CD GLU A 114 9.231 -8.834 -18.326 1.00 0.00 C ATOM 1853 OE1 GLU A 114 10.123 -8.588 -19.174 1.00 0.00 O ATOM 1854 OE2 GLU A 114 8.018 -8.808 -18.628 1.00 0.00 O ATOM 0 H GLU A 114 10.759 -5.645 -15.081 1.00 0.00 H new ATOM 0 HA GLU A 114 8.693 -6.554 -16.930 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.069 -7.535 -16.657 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.521 -8.212 -15.136 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.415 -9.918 -16.879 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.793 -9.540 -16.331 1.00 0.00 H new ATOM 1861 N THR A 115 8.335 -6.739 -13.666 1.00 0.00 N ATOM 1862 CA THR A 115 7.426 -7.058 -12.546 1.00 0.00 C ATOM 1863 C THR A 115 6.505 -5.865 -12.239 1.00 0.00 C ATOM 1864 O THR A 115 5.287 -5.979 -12.371 1.00 0.00 O ATOM 1865 CB THR A 115 8.238 -7.462 -11.265 1.00 0.00 C ATOM 1866 OG1 THR A 115 9.063 -8.604 -11.556 1.00 0.00 O ATOM 1867 CG2 THR A 115 7.351 -7.770 -10.047 1.00 0.00 C ATOM 0 H THR A 115 9.169 -6.225 -13.381 1.00 0.00 H new ATOM 0 HA THR A 115 6.809 -7.906 -12.844 1.00 0.00 H new ATOM 0 HB THR A 115 8.848 -6.599 -11.000 1.00 0.00 H new ATOM 0 HG1 THR A 115 9.919 -8.303 -11.925 1.00 0.00 H new ATOM 0 HG21 THR A 115 7.979 -8.042 -9.199 1.00 0.00 H new ATOM 0 HG22 THR A 115 6.761 -6.889 -9.794 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.683 -8.598 -10.284 1.00 0.00 H new ATOM 1875 N TRP A 116 7.101 -4.710 -11.869 1.00 0.00 N ATOM 1876 CA TRP A 116 6.341 -3.544 -11.349 1.00 0.00 C ATOM 1877 C TRP A 116 5.707 -2.728 -12.489 1.00 0.00 C ATOM 1878 O TRP A 116 4.707 -2.043 -12.279 1.00 0.00 O ATOM 1879 CB TRP A 116 7.259 -2.613 -10.500 1.00 0.00 C ATOM 1880 CG TRP A 116 8.070 -3.328 -9.437 1.00 0.00 C ATOM 1881 CD1 TRP A 116 9.434 -3.376 -9.339 1.00 0.00 C ATOM 1882 CD2 TRP A 116 7.574 -4.100 -8.330 1.00 0.00 C ATOM 1883 NE1 TRP A 116 9.809 -4.117 -8.255 1.00 0.00 N ATOM 1884 CE2 TRP A 116 8.688 -4.569 -7.620 1.00 0.00 C ATOM 1885 CE3 TRP A 116 6.298 -4.432 -7.866 1.00 0.00 C ATOM 1886 CZ2 TRP A 116 8.569 -5.365 -6.493 1.00 0.00 C ATOM 1887 CZ3 TRP A 116 6.186 -5.219 -6.737 1.00 0.00 C ATOM 1888 CH2 TRP A 116 7.314 -5.670 -6.058 1.00 0.00 C ATOM 0 H TRP A 116 8.108 -4.557 -11.920 1.00 0.00 H new ATOM 0 HA TRP A 116 5.546 -3.940 -10.718 1.00 0.00 H new ATOM 0 HB2 TRP A 116 7.942 -2.089 -11.169 1.00 0.00 H new ATOM 0 HB3 TRP A 116 6.641 -1.855 -10.019 1.00 0.00 H new ATOM 0 HD1 TRP A 116 10.118 -2.895 -10.023 1.00 0.00 H new ATOM 0 HE1 TRP A 116 10.770 -4.303 -7.967 1.00 0.00 H new ATOM 0 HE3 TRP A 116 5.416 -4.080 -8.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 9.443 -5.732 -5.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 5.205 -5.489 -6.374 1.00 0.00 H new ATOM 0 HH2 TRP A 116 7.193 -6.273 -5.170 1.00 0.00 H new ATOM 1899 N LEU A 117 6.314 -2.798 -13.689 1.00 0.00 N ATOM 1900 CA LEU A 117 5.954 -1.930 -14.837 1.00 0.00 C ATOM 1901 C LEU A 117 5.505 -2.777 -16.039 1.00 0.00 C ATOM 1902 O LEU A 117 5.185 -3.961 -15.868 1.00 0.00 O ATOM 1903 CB LEU A 117 7.177 -1.052 -15.201 1.00 0.00 C ATOM 1904 CG LEU A 117 7.785 -0.239 -14.024 1.00 0.00 C ATOM 1905 CD1 LEU A 117 9.097 0.431 -14.439 1.00 0.00 C ATOM 1906 CD2 LEU A 117 6.774 0.789 -13.483 1.00 0.00 C ATOM 0 H LEU A 117 7.067 -3.455 -13.894 1.00 0.00 H new ATOM 0 HA LEU A 117 5.118 -1.287 -14.562 1.00 0.00 H new ATOM 0 HB2 LEU A 117 7.954 -1.694 -15.617 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.883 -0.357 -15.988 1.00 0.00 H new ATOM 0 HG LEU A 117 8.012 -0.934 -13.216 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.501 0.993 -13.597 1.00 0.00 H new ATOM 0 HD12 LEU A 117 9.814 -0.331 -14.744 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.912 1.109 -15.272 1.00 0.00 H new ATOM 0 HD21 LEU A 117 7.225 1.344 -12.660 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.497 1.480 -14.279 1.00 0.00 H new ATOM 0 HD23 LEU A 117 5.884 0.271 -13.126 1.00 0.00 H new