USER MOD reduce.3.24.130724 H: found=0, std=0, add=894, rem=0, adj=34 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 34 GLN : amide:sc= -0.0458 K(o=-0.046,f=-0.92) USER MOD Set 1.2: A 35 HIS :FLIP no HD1:sc= 0 F(o=-0.58,f=-0.046) USER MOD Set 2.1: A 6 GLN :FLIP amide:sc= -2.67! F(o=-2.9,f=-1.3!) USER MOD Set 2.2: A 13 CYS SG : rot 96:sc= 1.34 USER MOD Single : A 3 LYS NZ :NH3+ 151:sc= 0.61 (180deg=0.113) USER MOD Single : A 5 TYR OH : rot 30:sc= -0.236 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 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+ -168:sc= 0.953 (180deg=0.719) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= -0.163 USER MOD Single : A 36 THR OG1 : rot -45:sc= 0.75 USER MOD Single : A 38 THR OG1 : rot 180:sc= -1.74! USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0.632 (180deg=0.551) USER MOD Single : A 44 THR OG1 : rot 71:sc= 1.21 USER MOD Single : A 48 ASN :FLIP amide:sc=-0.00941 F(o=-1.5!,f=-0.0094) USER MOD Single : A 49 THR OG1 : rot -66:sc= 1.32 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ -110:sc= 1.07 (180deg=-0.419) USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -140:sc= -0.963! (180deg=-2.66!) USER MOD Single : A 64 TYR OH : rot 130:sc= -0.241 USER MOD Single : A 70 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0271) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) 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=-0.63,f=0) USER MOD Single : A 75 THR OG1 : rot -25:sc= 0.109 USER MOD Single : A 77 SER OG : rot -72:sc= -0.0908 USER MOD Single : A 81 LYS NZ :NH3+ -177:sc= 0.436 (180deg=0.43) USER MOD Single : A 86 SER OG : rot 77:sc= 0.997 USER MOD Single : A 87 SER OG : rot 74:sc= 0.985 USER MOD Single : A 90 MET CE :methyl -147:sc= -2.73! (180deg=-3.89!) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0.453 (180deg=0.453) USER MOD Single : A 99 MET CE :methyl -126:sc= -0.222 (180deg=-1.62) USER MOD Single : A 102 LYS NZ :NH3+ -151:sc= 0.878 (180deg=0.457) USER MOD Single : A 104 THR OG1 : rot 135:sc= -0.59 USER MOD Single : A 108 LYS NZ :NH3+ -165:sc= -0.039 (180deg=-0.274) USER MOD Single : A 111 GLN : amide:sc= -0.0374 X(o=-0.037,f=-0.036) USER MOD Single : A 112 TYR OH : rot 9:sc= 0.137 USER MOD Single : A 113 LYS NZ :NH3+ 167:sc= 0.471 (180deg=0.407) USER MOD Single : A 115 THR OG1 : rot 84:sc= 0.496 USER MOD ----------------------------------------------------------------- ATOM 18 N ILE A 2 4.289 -1.085 -2.640 1.00 0.00 N ATOM 19 CA ILE A 2 5.389 -2.058 -2.507 1.00 0.00 C ATOM 20 C ILE A 2 6.071 -1.915 -1.134 1.00 0.00 C ATOM 21 O ILE A 2 6.269 -0.806 -0.662 1.00 0.00 O ATOM 22 CB ILE A 2 6.475 -1.853 -3.635 1.00 0.00 C ATOM 23 CG1 ILE A 2 5.826 -1.884 -5.053 1.00 0.00 C ATOM 24 CG2 ILE A 2 7.603 -2.913 -3.526 1.00 0.00 C ATOM 25 CD1 ILE A 2 6.799 -1.632 -6.193 1.00 0.00 C ATOM 0 HA ILE A 2 4.955 -3.053 -2.605 1.00 0.00 H new ATOM 0 HB ILE A 2 6.920 -0.869 -3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 2 5.354 -2.855 -5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 2 5.035 -1.135 -5.094 1.00 0.00 H new ATOM 0 HG21 ILE A 2 8.336 -2.747 -4.315 1.00 0.00 H new ATOM 0 HG22 ILE A 2 8.090 -2.827 -2.555 1.00 0.00 H new ATOM 0 HG23 ILE A 2 7.176 -3.910 -3.631 1.00 0.00 H new ATOM 0 HD11 ILE A 2 6.265 -1.671 -7.142 1.00 0.00 H new ATOM 0 HD12 ILE A 2 7.254 -0.649 -6.073 1.00 0.00 H new ATOM 0 HD13 ILE A 2 7.577 -2.395 -6.183 1.00 0.00 H new ATOM 37 N LYS A 3 6.387 -3.041 -0.499 1.00 0.00 N ATOM 38 CA LYS A 3 7.214 -3.087 0.714 1.00 0.00 C ATOM 39 C LYS A 3 8.691 -3.167 0.303 1.00 0.00 C ATOM 40 O LYS A 3 9.220 -4.255 0.026 1.00 0.00 O ATOM 41 CB LYS A 3 6.805 -4.299 1.587 1.00 0.00 C ATOM 42 CG LYS A 3 5.296 -4.370 1.881 1.00 0.00 C ATOM 43 CD LYS A 3 4.787 -3.166 2.699 1.00 0.00 C ATOM 44 CE LYS A 3 3.279 -3.232 2.989 1.00 0.00 C ATOM 45 NZ LYS A 3 2.820 -2.088 3.830 1.00 0.00 N ATOM 0 H LYS A 3 6.075 -3.960 -0.812 1.00 0.00 H new ATOM 0 HA LYS A 3 7.063 -2.186 1.308 1.00 0.00 H new ATOM 0 HB2 LYS A 3 7.112 -5.217 1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.348 -4.255 2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.749 -4.420 0.939 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.080 -5.290 2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 3 5.331 -3.118 3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.007 -2.246 2.157 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.729 -3.234 2.048 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.048 -4.169 3.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.826 -1.874 3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.908 -2.339 4.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.406 -1.253 3.629 1.00 0.00 H new ATOM 59 N PHE A 4 9.321 -1.990 0.202 1.00 0.00 N ATOM 60 CA PHE A 4 10.722 -1.864 -0.229 1.00 0.00 C ATOM 61 C PHE A 4 11.634 -1.945 1.002 1.00 0.00 C ATOM 62 O PHE A 4 11.855 -0.947 1.706 1.00 0.00 O ATOM 63 CB PHE A 4 10.947 -0.541 -1.015 1.00 0.00 C ATOM 64 CG PHE A 4 12.367 -0.376 -1.586 1.00 0.00 C ATOM 65 CD1 PHE A 4 12.780 -1.130 -2.686 1.00 0.00 C ATOM 66 CD2 PHE A 4 13.283 0.514 -1.017 1.00 0.00 C ATOM 67 CE1 PHE A 4 14.058 -1.000 -3.200 1.00 0.00 C ATOM 68 CE2 PHE A 4 14.563 0.639 -1.532 1.00 0.00 C ATOM 69 CZ PHE A 4 14.948 -0.115 -2.622 1.00 0.00 C ATOM 0 H PHE A 4 8.876 -1.098 0.416 1.00 0.00 H new ATOM 0 HA PHE A 4 10.967 -2.682 -0.907 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.231 -0.493 -1.835 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.733 0.300 -0.356 1.00 0.00 H new ATOM 0 HD1 PHE A 4 12.091 -1.825 -3.143 1.00 0.00 H new ATOM 0 HD2 PHE A 4 12.989 1.111 -0.166 1.00 0.00 H new ATOM 0 HE1 PHE A 4 14.360 -1.590 -4.053 1.00 0.00 H new ATOM 0 HE2 PHE A 4 15.261 1.328 -1.080 1.00 0.00 H new ATOM 0 HZ PHE A 4 15.945 -0.013 -3.023 1.00 0.00 H new ATOM 79 N TYR A 5 12.111 -3.156 1.285 1.00 0.00 N ATOM 80 CA TYR A 5 13.062 -3.387 2.370 1.00 0.00 C ATOM 81 C TYR A 5 14.457 -2.889 1.958 1.00 0.00 C ATOM 82 O TYR A 5 14.873 -3.048 0.798 1.00 0.00 O ATOM 83 CB TYR A 5 13.094 -4.876 2.762 1.00 0.00 C ATOM 84 CG TYR A 5 11.797 -5.373 3.431 1.00 0.00 C ATOM 85 CD1 TYR A 5 10.665 -5.666 2.672 1.00 0.00 C ATOM 86 CD2 TYR A 5 11.711 -5.554 4.816 1.00 0.00 C ATOM 87 CE1 TYR A 5 9.507 -6.128 3.257 1.00 0.00 C ATOM 88 CE2 TYR A 5 10.550 -6.014 5.405 1.00 0.00 C ATOM 89 CZ TYR A 5 9.453 -6.300 4.619 1.00 0.00 C ATOM 90 OH TYR A 5 8.294 -6.765 5.200 1.00 0.00 O ATOM 0 H TYR A 5 11.851 -3.999 0.773 1.00 0.00 H new ATOM 0 HA TYR A 5 12.740 -2.825 3.247 1.00 0.00 H new ATOM 0 HB2 TYR A 5 13.283 -5.473 1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 5 13.930 -5.045 3.441 1.00 0.00 H new ATOM 0 HD1 TYR A 5 10.697 -5.528 1.601 1.00 0.00 H new ATOM 0 HD2 TYR A 5 12.567 -5.330 5.435 1.00 0.00 H new ATOM 0 HE1 TYR A 5 8.645 -6.354 2.647 1.00 0.00 H new ATOM 0 HE2 TYR A 5 10.501 -6.149 6.475 1.00 0.00 H new ATOM 0 HH TYR A 5 7.822 -7.347 4.568 1.00 0.00 H new ATOM 100 N GLN A 6 15.145 -2.276 2.926 1.00 0.00 N ATOM 101 CA GLN A 6 16.490 -1.708 2.777 1.00 0.00 C ATOM 102 C GLN A 6 17.070 -1.435 4.168 1.00 0.00 C ATOM 103 O GLN A 6 16.335 -1.422 5.153 1.00 0.00 O ATOM 104 CB GLN A 6 16.455 -0.403 1.934 1.00 0.00 C ATOM 105 CG GLN A 6 15.576 0.726 2.522 1.00 0.00 C ATOM 106 CD GLN A 6 15.668 2.047 1.749 1.00 0.00 C ATOM 107 OE1 GLN A 6 16.843 2.371 1.229 1.00 0.00 O flip ATOM 108 NE2 GLN A 6 14.703 2.793 1.651 1.00 0.00 N flip ATOM 0 H GLN A 6 14.769 -2.157 3.867 1.00 0.00 H new ATOM 0 HA GLN A 6 17.123 -2.421 2.249 1.00 0.00 H new ATOM 0 HB2 GLN A 6 17.474 -0.031 1.824 1.00 0.00 H new ATOM 0 HB3 GLN A 6 16.093 -0.643 0.934 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.537 0.395 2.536 1.00 0.00 H new ATOM 0 HG3 GLN A 6 15.869 0.900 3.557 1.00 0.00 H new ATOM 0 HE21 GLN A 6 13.807 2.524 2.059 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.794 3.683 1.162 1.00 0.00 H new ATOM 117 N TYR A 7 18.387 -1.229 4.238 1.00 0.00 N ATOM 118 CA TYR A 7 19.083 -0.824 5.471 1.00 0.00 C ATOM 119 C TYR A 7 20.508 -0.418 5.113 1.00 0.00 C ATOM 120 O TYR A 7 21.161 -1.134 4.344 1.00 0.00 O ATOM 121 CB TYR A 7 19.098 -1.965 6.527 1.00 0.00 C ATOM 122 CG TYR A 7 19.696 -1.572 7.889 1.00 0.00 C ATOM 123 CD1 TYR A 7 18.919 -0.935 8.864 1.00 0.00 C ATOM 124 CD2 TYR A 7 21.029 -1.844 8.207 1.00 0.00 C ATOM 125 CE1 TYR A 7 19.449 -0.593 10.094 1.00 0.00 C ATOM 126 CE2 TYR A 7 21.558 -1.501 9.433 1.00 0.00 C ATOM 127 CZ TYR A 7 20.769 -0.880 10.374 1.00 0.00 C ATOM 128 OH TYR A 7 21.302 -0.545 11.601 1.00 0.00 O ATOM 0 H TYR A 7 19.009 -1.338 3.437 1.00 0.00 H new ATOM 0 HA TYR A 7 18.549 0.016 5.915 1.00 0.00 H new ATOM 0 HB2 TYR A 7 18.077 -2.313 6.681 1.00 0.00 H new ATOM 0 HB3 TYR A 7 19.664 -2.806 6.126 1.00 0.00 H new ATOM 0 HD1 TYR A 7 17.885 -0.706 8.651 1.00 0.00 H new ATOM 0 HD2 TYR A 7 21.658 -2.333 7.478 1.00 0.00 H new ATOM 0 HE1 TYR A 7 18.832 -0.103 10.833 1.00 0.00 H new ATOM 0 HE2 TYR A 7 22.592 -1.720 9.655 1.00 0.00 H new ATOM 0 HH TYR A 7 22.243 -0.818 11.635 1.00 0.00 H new ATOM 213 N CYS A 13 20.527 1.701 -3.504 1.00 0.00 N ATOM 214 CA CYS A 13 19.377 2.450 -2.959 1.00 0.00 C ATOM 215 C CYS A 13 19.043 3.682 -3.815 1.00 0.00 C ATOM 216 O CYS A 13 17.870 3.988 -4.016 1.00 0.00 O ATOM 217 CB CYS A 13 19.657 2.880 -1.500 1.00 0.00 C ATOM 218 SG CYS A 13 18.340 3.860 -0.751 1.00 0.00 S ATOM 0 HA CYS A 13 18.514 1.785 -2.979 1.00 0.00 H new ATOM 0 HB2 CYS A 13 19.819 1.988 -0.895 1.00 0.00 H new ATOM 0 HB3 CYS A 13 20.582 3.456 -1.474 1.00 0.00 H new ATOM 0 HG CYS A 13 17.564 3.084 -0.055 1.00 0.00 H new ATOM 224 N LYS A 14 20.093 4.367 -4.322 1.00 0.00 N ATOM 225 CA LYS A 14 19.939 5.575 -5.159 1.00 0.00 C ATOM 226 C LYS A 14 19.114 5.277 -6.425 1.00 0.00 C ATOM 227 O LYS A 14 18.045 5.863 -6.634 1.00 0.00 O ATOM 228 CB LYS A 14 21.329 6.159 -5.552 1.00 0.00 C ATOM 229 CG LYS A 14 22.156 6.730 -4.376 1.00 0.00 C ATOM 230 CD LYS A 14 21.454 7.915 -3.658 1.00 0.00 C ATOM 231 CE LYS A 14 21.200 9.122 -4.579 1.00 0.00 C ATOM 232 NZ LYS A 14 20.434 10.194 -3.887 1.00 0.00 N ATOM 0 H LYS A 14 21.064 4.099 -4.163 1.00 0.00 H new ATOM 0 HA LYS A 14 19.402 6.316 -4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 14 21.911 5.376 -6.039 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.179 6.949 -6.288 1.00 0.00 H new ATOM 0 HG2 LYS A 14 22.346 5.936 -3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 14 23.126 7.061 -4.748 1.00 0.00 H new ATOM 0 HD2 LYS A 14 20.503 7.572 -3.250 1.00 0.00 H new ATOM 0 HD3 LYS A 14 22.066 8.233 -2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 14 22.153 9.522 -4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 14 20.651 8.796 -5.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 20.283 10.989 -4.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 19.514 9.820 -3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 20.969 10.523 -3.058 1.00 0.00 H new ATOM 246 N LYS A 15 19.600 4.315 -7.226 1.00 0.00 N ATOM 247 CA LYS A 15 19.018 3.997 -8.545 1.00 0.00 C ATOM 248 C LYS A 15 17.659 3.275 -8.415 1.00 0.00 C ATOM 249 O LYS A 15 16.777 3.485 -9.243 1.00 0.00 O ATOM 250 CB LYS A 15 20.002 3.147 -9.379 1.00 0.00 C ATOM 251 CG LYS A 15 21.384 3.811 -9.594 1.00 0.00 C ATOM 252 CD LYS A 15 22.291 3.015 -10.564 1.00 0.00 C ATOM 253 CE LYS A 15 22.520 1.560 -10.119 1.00 0.00 C ATOM 254 NZ LYS A 15 23.410 0.836 -11.061 1.00 0.00 N ATOM 0 H LYS A 15 20.404 3.737 -6.981 1.00 0.00 H new ATOM 0 HA LYS A 15 18.840 4.941 -9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 15 20.145 2.186 -8.884 1.00 0.00 H new ATOM 0 HB3 LYS A 15 19.554 2.941 -10.351 1.00 0.00 H new ATOM 0 HG2 LYS A 15 21.240 4.819 -9.984 1.00 0.00 H new ATOM 0 HG3 LYS A 15 21.888 3.910 -8.632 1.00 0.00 H new ATOM 0 HD2 LYS A 15 21.842 3.019 -11.557 1.00 0.00 H new ATOM 0 HD3 LYS A 15 23.254 3.519 -10.648 1.00 0.00 H new ATOM 0 HE2 LYS A 15 22.958 1.548 -9.121 1.00 0.00 H new ATOM 0 HE3 LYS A 15 21.562 1.044 -10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 23.543 -0.141 -10.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 22.979 0.826 -12.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 24.332 1.315 -11.105 1.00 0.00 H new ATOM 268 N ALA A 16 17.508 2.435 -7.366 1.00 0.00 N ATOM 269 CA ALA A 16 16.254 1.683 -7.106 1.00 0.00 C ATOM 270 C ALA A 16 15.112 2.637 -6.736 1.00 0.00 C ATOM 271 O ALA A 16 14.034 2.601 -7.344 1.00 0.00 O ATOM 272 CB ALA A 16 16.465 0.634 -5.997 1.00 0.00 C ATOM 0 H ALA A 16 18.243 2.259 -6.681 1.00 0.00 H new ATOM 0 HA ALA A 16 15.978 1.161 -8.022 1.00 0.00 H new ATOM 0 HB1 ALA A 16 15.533 0.095 -5.824 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.239 -0.069 -6.304 1.00 0.00 H new ATOM 0 HB3 ALA A 16 16.772 1.133 -5.078 1.00 0.00 H new ATOM 278 N ALA A 17 15.392 3.518 -5.757 1.00 0.00 N ATOM 279 CA ALA A 17 14.428 4.519 -5.274 1.00 0.00 C ATOM 280 C ALA A 17 14.060 5.511 -6.388 1.00 0.00 C ATOM 281 O ALA A 17 12.900 5.910 -6.501 1.00 0.00 O ATOM 282 CB ALA A 17 14.988 5.267 -4.055 1.00 0.00 C ATOM 0 H ALA A 17 16.293 3.554 -5.280 1.00 0.00 H new ATOM 0 HA ALA A 17 13.522 3.994 -4.972 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.260 6.003 -3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 17 15.190 4.557 -3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 17 15.913 5.773 -4.332 1.00 0.00 H new ATOM 288 N LYS A 18 15.062 5.883 -7.213 1.00 0.00 N ATOM 289 CA LYS A 18 14.879 6.835 -8.327 1.00 0.00 C ATOM 290 C LYS A 18 14.072 6.211 -9.482 1.00 0.00 C ATOM 291 O LYS A 18 13.310 6.911 -10.134 1.00 0.00 O ATOM 292 CB LYS A 18 16.252 7.347 -8.852 1.00 0.00 C ATOM 293 CG LYS A 18 16.210 8.406 -10.006 1.00 0.00 C ATOM 294 CD LYS A 18 15.897 9.873 -9.554 1.00 0.00 C ATOM 295 CE LYS A 18 14.427 10.133 -9.154 1.00 0.00 C ATOM 296 NZ LYS A 18 13.475 9.834 -10.258 1.00 0.00 N ATOM 0 H LYS A 18 16.016 5.533 -7.125 1.00 0.00 H new ATOM 0 HA LYS A 18 14.313 7.681 -7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 18 16.798 7.778 -8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 18 16.826 6.488 -9.198 1.00 0.00 H new ATOM 0 HG2 LYS A 18 17.171 8.398 -10.520 1.00 0.00 H new ATOM 0 HG3 LYS A 18 15.458 8.098 -10.733 1.00 0.00 H new ATOM 0 HD2 LYS A 18 16.538 10.121 -8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 18 16.163 10.552 -10.365 1.00 0.00 H new ATOM 0 HE2 LYS A 18 14.176 9.522 -8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 18 14.314 11.175 -8.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.536 10.211 -10.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.812 10.277 -11.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.411 8.805 -10.392 1.00 0.00 H new ATOM 310 N PHE A 19 14.260 4.902 -9.718 1.00 0.00 N ATOM 311 CA PHE A 19 13.594 4.161 -10.817 1.00 0.00 C ATOM 312 C PHE A 19 12.086 4.019 -10.526 1.00 0.00 C ATOM 313 O PHE A 19 11.223 4.298 -11.381 1.00 0.00 O ATOM 314 CB PHE A 19 14.268 2.770 -10.985 1.00 0.00 C ATOM 315 CG PHE A 19 13.942 2.027 -12.285 1.00 0.00 C ATOM 316 CD1 PHE A 19 14.200 2.623 -13.520 1.00 0.00 C ATOM 317 CD2 PHE A 19 13.412 0.737 -12.274 1.00 0.00 C ATOM 318 CE1 PHE A 19 13.939 1.952 -14.700 1.00 0.00 C ATOM 319 CE2 PHE A 19 13.150 0.072 -13.456 1.00 0.00 C ATOM 320 CZ PHE A 19 13.412 0.677 -14.668 1.00 0.00 C ATOM 0 H PHE A 19 14.879 4.320 -9.153 1.00 0.00 H new ATOM 0 HA PHE A 19 13.702 4.714 -11.750 1.00 0.00 H new ATOM 0 HB2 PHE A 19 15.348 2.900 -10.924 1.00 0.00 H new ATOM 0 HB3 PHE A 19 13.975 2.141 -10.145 1.00 0.00 H new ATOM 0 HD1 PHE A 19 14.609 3.622 -13.554 1.00 0.00 H new ATOM 0 HD2 PHE A 19 13.204 0.253 -11.331 1.00 0.00 H new ATOM 0 HE1 PHE A 19 14.148 2.426 -15.648 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.738 -0.926 -13.431 1.00 0.00 H new ATOM 0 HZ PHE A 19 13.205 0.154 -15.590 1.00 0.00 H new ATOM 330 N LEU A 20 11.802 3.617 -9.277 1.00 0.00 N ATOM 331 CA LEU A 20 10.437 3.528 -8.741 1.00 0.00 C ATOM 332 C LEU A 20 9.770 4.923 -8.712 1.00 0.00 C ATOM 333 O LEU A 20 8.612 5.062 -9.096 1.00 0.00 O ATOM 334 CB LEU A 20 10.477 2.873 -7.330 1.00 0.00 C ATOM 335 CG LEU A 20 10.924 1.369 -7.301 1.00 0.00 C ATOM 336 CD1 LEU A 20 11.204 0.883 -5.860 1.00 0.00 C ATOM 337 CD2 LEU A 20 9.878 0.460 -7.992 1.00 0.00 C ATOM 0 H LEU A 20 12.520 3.343 -8.606 1.00 0.00 H new ATOM 0 HA LEU A 20 9.829 2.899 -9.392 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.155 3.449 -6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 20 9.485 2.949 -6.884 1.00 0.00 H new ATOM 0 HG LEU A 20 11.857 1.301 -7.860 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.511 -0.163 -5.882 1.00 0.00 H new ATOM 0 HD12 LEU A 20 11.999 1.485 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.300 0.983 -5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 20 10.216 -0.576 -7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.922 0.548 -7.476 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.759 0.767 -9.031 1.00 0.00 H new ATOM 349 N ASP A 21 10.537 5.956 -8.307 1.00 0.00 N ATOM 350 CA ASP A 21 10.056 7.364 -8.299 1.00 0.00 C ATOM 351 C ASP A 21 9.811 7.878 -9.733 1.00 0.00 C ATOM 352 O ASP A 21 8.874 8.652 -9.963 1.00 0.00 O ATOM 353 CB ASP A 21 11.077 8.284 -7.576 1.00 0.00 C ATOM 354 CG ASP A 21 10.668 9.775 -7.540 1.00 0.00 C ATOM 355 OD1 ASP A 21 9.879 10.164 -6.653 1.00 0.00 O ATOM 356 OD2 ASP A 21 11.116 10.554 -8.419 1.00 0.00 O ATOM 0 H ASP A 21 11.497 5.846 -7.979 1.00 0.00 H new ATOM 0 HA ASP A 21 9.110 7.388 -7.759 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.209 7.930 -6.554 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.044 8.195 -8.071 1.00 0.00 H new ATOM 361 N GLU A 22 10.646 7.422 -10.684 1.00 0.00 N ATOM 362 CA GLU A 22 10.579 7.837 -12.103 1.00 0.00 C ATOM 363 C GLU A 22 9.244 7.410 -12.725 1.00 0.00 C ATOM 364 O GLU A 22 8.555 8.212 -13.361 1.00 0.00 O ATOM 365 CB GLU A 22 11.779 7.242 -12.895 1.00 0.00 C ATOM 366 CG GLU A 22 11.772 7.526 -14.416 1.00 0.00 C ATOM 367 CD GLU A 22 13.038 7.014 -15.127 1.00 0.00 C ATOM 368 OE1 GLU A 22 14.097 7.671 -15.012 1.00 0.00 O ATOM 369 OE2 GLU A 22 12.990 5.949 -15.779 1.00 0.00 O ATOM 0 H GLU A 22 11.391 6.752 -10.492 1.00 0.00 H new ATOM 0 HA GLU A 22 10.642 8.924 -12.154 1.00 0.00 H new ATOM 0 HB2 GLU A 22 12.703 7.636 -12.473 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.794 6.163 -12.743 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.895 7.058 -14.864 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.679 8.600 -14.580 1.00 0.00 H new ATOM 376 N TYR A 23 8.874 6.142 -12.486 1.00 0.00 N ATOM 377 CA TYR A 23 7.606 5.577 -12.980 1.00 0.00 C ATOM 378 C TYR A 23 6.418 5.887 -12.029 1.00 0.00 C ATOM 379 O TYR A 23 5.305 5.411 -12.263 1.00 0.00 O ATOM 380 CB TYR A 23 7.777 4.058 -13.205 1.00 0.00 C ATOM 381 CG TYR A 23 8.650 3.691 -14.424 1.00 0.00 C ATOM 382 CD1 TYR A 23 10.034 3.888 -14.414 1.00 0.00 C ATOM 383 CD2 TYR A 23 8.087 3.135 -15.581 1.00 0.00 C ATOM 384 CE1 TYR A 23 10.815 3.544 -15.500 1.00 0.00 C ATOM 385 CE2 TYR A 23 8.870 2.793 -16.667 1.00 0.00 C ATOM 386 CZ TYR A 23 10.232 2.999 -16.620 1.00 0.00 C ATOM 387 OH TYR A 23 11.018 2.645 -17.696 1.00 0.00 O ATOM 0 H TYR A 23 9.439 5.484 -11.950 1.00 0.00 H new ATOM 0 HA TYR A 23 7.362 6.051 -13.931 1.00 0.00 H new ATOM 0 HB2 TYR A 23 8.218 3.617 -12.311 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.792 3.608 -13.329 1.00 0.00 H new ATOM 0 HD1 TYR A 23 10.502 4.317 -13.540 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.020 2.971 -15.625 1.00 0.00 H new ATOM 0 HE1 TYR A 23 11.883 3.703 -15.470 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.416 2.366 -17.549 1.00 0.00 H new ATOM 0 HH TYR A 23 10.453 2.274 -18.406 1.00 0.00 H new ATOM 397 N GLY A 24 6.672 6.677 -10.962 1.00 0.00 N ATOM 398 CA GLY A 24 5.619 7.138 -10.036 1.00 0.00 C ATOM 399 C GLY A 24 5.131 6.070 -9.061 1.00 0.00 C ATOM 400 O GLY A 24 4.133 6.268 -8.359 1.00 0.00 O ATOM 0 H GLY A 24 7.606 7.010 -10.722 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.998 7.987 -9.467 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.771 7.497 -10.618 1.00 0.00 H new ATOM 404 N VAL A 25 5.850 4.950 -9.019 1.00 0.00 N ATOM 405 CA VAL A 25 5.510 3.776 -8.209 1.00 0.00 C ATOM 406 C VAL A 25 5.811 4.025 -6.724 1.00 0.00 C ATOM 407 O VAL A 25 6.965 4.272 -6.353 1.00 0.00 O ATOM 408 CB VAL A 25 6.312 2.522 -8.709 1.00 0.00 C ATOM 409 CG1 VAL A 25 5.896 1.245 -7.953 1.00 0.00 C ATOM 410 CG2 VAL A 25 6.159 2.344 -10.231 1.00 0.00 C ATOM 0 H VAL A 25 6.706 4.828 -9.559 1.00 0.00 H new ATOM 0 HA VAL A 25 4.442 3.589 -8.319 1.00 0.00 H new ATOM 0 HB VAL A 25 7.366 2.696 -8.494 1.00 0.00 H new ATOM 0 HG11 VAL A 25 6.472 0.398 -8.326 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.088 1.374 -6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.834 1.059 -8.110 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.723 1.469 -10.554 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.106 2.208 -10.477 1.00 0.00 H new ATOM 0 HG23 VAL A 25 6.539 3.229 -10.741 1.00 0.00 H new ATOM 420 N SER A 26 4.763 3.964 -5.894 1.00 0.00 N ATOM 421 CA SER A 26 4.881 4.124 -4.444 1.00 0.00 C ATOM 422 C SER A 26 5.520 2.872 -3.809 1.00 0.00 C ATOM 423 O SER A 26 5.026 1.746 -3.977 1.00 0.00 O ATOM 424 CB SER A 26 3.497 4.411 -3.832 1.00 0.00 C ATOM 425 OG SER A 26 2.951 5.605 -4.370 1.00 0.00 O ATOM 0 H SER A 26 3.808 3.802 -6.212 1.00 0.00 H new ATOM 0 HA SER A 26 5.533 4.972 -4.234 1.00 0.00 H new ATOM 0 HB2 SER A 26 2.825 3.576 -4.031 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.584 4.500 -2.749 1.00 0.00 H new ATOM 0 HG SER A 26 2.071 5.771 -3.971 1.00 0.00 H new ATOM 431 N TYR A 27 6.642 3.088 -3.117 1.00 0.00 N ATOM 432 CA TYR A 27 7.368 2.045 -2.381 1.00 0.00 C ATOM 433 C TYR A 27 7.422 2.437 -0.889 1.00 0.00 C ATOM 434 O TYR A 27 7.332 3.621 -0.553 1.00 0.00 O ATOM 435 CB TYR A 27 8.792 1.857 -2.982 1.00 0.00 C ATOM 436 CG TYR A 27 9.694 3.110 -2.929 1.00 0.00 C ATOM 437 CD1 TYR A 27 9.599 4.116 -3.900 1.00 0.00 C ATOM 438 CD2 TYR A 27 10.628 3.292 -1.902 1.00 0.00 C ATOM 439 CE1 TYR A 27 10.393 5.247 -3.842 1.00 0.00 C ATOM 440 CE2 TYR A 27 11.424 4.419 -1.849 1.00 0.00 C ATOM 441 CZ TYR A 27 11.302 5.390 -2.815 1.00 0.00 C ATOM 442 OH TYR A 27 12.087 6.521 -2.744 1.00 0.00 O ATOM 0 H TYR A 27 7.080 4.007 -3.050 1.00 0.00 H new ATOM 0 HA TYR A 27 6.852 1.089 -2.471 1.00 0.00 H new ATOM 0 HB2 TYR A 27 9.290 1.046 -2.450 1.00 0.00 H new ATOM 0 HB3 TYR A 27 8.693 1.543 -4.021 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.892 4.006 -4.709 1.00 0.00 H new ATOM 0 HD2 TYR A 27 10.728 2.537 -1.137 1.00 0.00 H new ATOM 0 HE1 TYR A 27 10.302 6.014 -4.597 1.00 0.00 H new ATOM 0 HE2 TYR A 27 12.141 4.538 -1.050 1.00 0.00 H new ATOM 0 HH TYR A 27 12.672 6.464 -1.960 1.00 0.00 H new ATOM 452 N GLU A 28 7.577 1.443 -0.006 1.00 0.00 N ATOM 453 CA GLU A 28 7.601 1.643 1.456 1.00 0.00 C ATOM 454 C GLU A 28 9.023 1.366 1.973 1.00 0.00 C ATOM 455 O GLU A 28 9.410 0.205 2.058 1.00 0.00 O ATOM 456 CB GLU A 28 6.561 0.717 2.162 1.00 0.00 C ATOM 457 CG GLU A 28 6.588 0.786 3.704 1.00 0.00 C ATOM 458 CD GLU A 28 5.454 -0.007 4.368 1.00 0.00 C ATOM 459 OE1 GLU A 28 4.280 0.378 4.208 1.00 0.00 O ATOM 460 OE2 GLU A 28 5.719 -1.024 5.046 1.00 0.00 O ATOM 0 H GLU A 28 7.691 0.468 -0.284 1.00 0.00 H new ATOM 0 HA GLU A 28 7.327 2.673 1.685 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.562 0.983 1.816 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.741 -0.313 1.853 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.545 0.406 4.061 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.523 1.829 4.015 1.00 0.00 H new ATOM 467 N PRO A 29 9.833 2.429 2.284 1.00 0.00 N ATOM 468 CA PRO A 29 11.219 2.270 2.776 1.00 0.00 C ATOM 469 C PRO A 29 11.237 1.784 4.245 1.00 0.00 C ATOM 470 O PRO A 29 11.072 2.584 5.173 1.00 0.00 O ATOM 471 CB PRO A 29 11.836 3.706 2.624 1.00 0.00 C ATOM 472 CG PRO A 29 10.798 4.513 1.888 1.00 0.00 C ATOM 473 CD PRO A 29 9.474 3.863 2.193 1.00 0.00 C ATOM 0 HA PRO A 29 11.784 1.519 2.224 1.00 0.00 H new ATOM 0 HB2 PRO A 29 12.056 4.144 3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.774 3.674 2.070 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.807 5.552 2.216 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.994 4.515 0.816 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.045 4.234 3.124 1.00 0.00 H new ATOM 0 HD3 PRO A 29 8.741 4.049 1.408 1.00 0.00 H new ATOM 481 N ILE A 30 11.379 0.466 4.440 1.00 0.00 N ATOM 482 CA ILE A 30 11.411 -0.159 5.783 1.00 0.00 C ATOM 483 C ILE A 30 12.715 -0.939 5.978 1.00 0.00 C ATOM 484 O ILE A 30 13.259 -1.500 5.030 1.00 0.00 O ATOM 485 CB ILE A 30 10.154 -1.090 6.025 1.00 0.00 C ATOM 486 CG1 ILE A 30 9.833 -1.936 4.740 1.00 0.00 C ATOM 487 CG2 ILE A 30 8.932 -0.251 6.479 1.00 0.00 C ATOM 488 CD1 ILE A 30 8.608 -2.826 4.840 1.00 0.00 C ATOM 0 H ILE A 30 11.475 -0.203 3.676 1.00 0.00 H new ATOM 0 HA ILE A 30 11.369 0.640 6.523 1.00 0.00 H new ATOM 0 HB ILE A 30 10.389 -1.790 6.827 1.00 0.00 H new ATOM 0 HG12 ILE A 30 9.699 -1.254 3.900 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.697 -2.559 4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 30 8.078 -0.909 6.640 1.00 0.00 H new ATOM 0 HG22 ILE A 30 9.171 0.267 7.408 1.00 0.00 H new ATOM 0 HG23 ILE A 30 8.686 0.480 5.709 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.474 -3.367 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 30 8.741 -3.538 5.654 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.728 -2.213 5.035 1.00 0.00 H new ATOM 500 N ASP A 31 13.202 -0.949 7.227 1.00 0.00 N ATOM 501 CA ASP A 31 14.478 -1.578 7.602 1.00 0.00 C ATOM 502 C ASP A 31 14.376 -3.102 7.497 1.00 0.00 C ATOM 503 O ASP A 31 13.459 -3.690 8.053 1.00 0.00 O ATOM 504 CB ASP A 31 14.867 -1.184 9.040 1.00 0.00 C ATOM 505 CG ASP A 31 14.926 0.335 9.251 1.00 0.00 C ATOM 506 OD1 ASP A 31 13.854 0.952 9.448 1.00 0.00 O ATOM 507 OD2 ASP A 31 16.028 0.914 9.217 1.00 0.00 O ATOM 0 H ASP A 31 12.717 -0.517 8.013 1.00 0.00 H new ATOM 0 HA ASP A 31 15.247 -1.226 6.914 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.147 -1.614 9.736 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.839 -1.616 9.279 1.00 0.00 H new ATOM 512 N ILE A 32 15.321 -3.731 6.794 1.00 0.00 N ATOM 513 CA ILE A 32 15.335 -5.197 6.636 1.00 0.00 C ATOM 514 C ILE A 32 15.684 -5.909 7.971 1.00 0.00 C ATOM 515 O ILE A 32 15.184 -6.999 8.234 1.00 0.00 O ATOM 516 CB ILE A 32 16.330 -5.645 5.500 1.00 0.00 C ATOM 517 CG1 ILE A 32 16.186 -7.169 5.172 1.00 0.00 C ATOM 518 CG2 ILE A 32 17.787 -5.299 5.868 1.00 0.00 C ATOM 519 CD1 ILE A 32 14.869 -7.567 4.521 1.00 0.00 C ATOM 0 H ILE A 32 16.089 -3.253 6.323 1.00 0.00 H new ATOM 0 HA ILE A 32 14.328 -5.496 6.344 1.00 0.00 H new ATOM 0 HB ILE A 32 16.065 -5.088 4.601 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.003 -7.462 4.512 1.00 0.00 H new ATOM 0 HG13 ILE A 32 16.303 -7.736 6.095 1.00 0.00 H new ATOM 0 HG21 ILE A 32 18.451 -5.620 5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 32 17.881 -4.222 6.008 1.00 0.00 H new ATOM 0 HG23 ILE A 32 18.060 -5.810 6.791 1.00 0.00 H new ATOM 0 HD11 ILE A 32 14.866 -8.641 4.333 1.00 0.00 H new ATOM 0 HD12 ILE A 32 14.043 -7.312 5.185 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.754 -7.033 3.578 1.00 0.00 H new ATOM 531 N VAL A 33 16.539 -5.275 8.813 1.00 0.00 N ATOM 532 CA VAL A 33 17.037 -5.892 10.080 1.00 0.00 C ATOM 533 C VAL A 33 16.243 -5.417 11.318 1.00 0.00 C ATOM 534 O VAL A 33 16.180 -6.134 12.324 1.00 0.00 O ATOM 535 CB VAL A 33 18.583 -5.649 10.286 1.00 0.00 C ATOM 536 CG1 VAL A 33 18.898 -4.179 10.612 1.00 0.00 C ATOM 537 CG2 VAL A 33 19.196 -6.608 11.346 1.00 0.00 C ATOM 0 H VAL A 33 16.901 -4.337 8.642 1.00 0.00 H new ATOM 0 HA VAL A 33 16.874 -6.965 9.977 1.00 0.00 H new ATOM 0 HB VAL A 33 19.058 -5.880 9.333 1.00 0.00 H new ATOM 0 HG11 VAL A 33 19.973 -4.058 10.746 1.00 0.00 H new ATOM 0 HG12 VAL A 33 18.561 -3.544 9.793 1.00 0.00 H new ATOM 0 HG13 VAL A 33 18.384 -3.891 11.529 1.00 0.00 H new ATOM 0 HG21 VAL A 33 20.261 -6.401 11.451 1.00 0.00 H new ATOM 0 HG22 VAL A 33 18.700 -6.455 12.305 1.00 0.00 H new ATOM 0 HG23 VAL A 33 19.057 -7.641 11.026 1.00 0.00 H new ATOM 547 N GLN A 34 15.638 -4.220 11.246 1.00 0.00 N ATOM 548 CA GLN A 34 14.813 -3.689 12.352 1.00 0.00 C ATOM 549 C GLN A 34 13.366 -4.179 12.157 1.00 0.00 C ATOM 550 O GLN A 34 12.768 -4.754 13.070 1.00 0.00 O ATOM 551 CB GLN A 34 14.920 -2.129 12.406 1.00 0.00 C ATOM 552 CG GLN A 34 14.496 -1.456 13.740 1.00 0.00 C ATOM 553 CD GLN A 34 12.982 -1.423 14.003 1.00 0.00 C ATOM 554 OE1 GLN A 34 12.180 -1.332 13.084 1.00 0.00 O ATOM 555 NE2 GLN A 34 12.588 -1.486 15.265 1.00 0.00 N ATOM 0 H GLN A 34 15.702 -3.601 10.438 1.00 0.00 H new ATOM 0 HA GLN A 34 15.172 -4.055 13.314 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.952 -1.849 12.195 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.307 -1.716 11.605 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.980 -1.981 14.563 1.00 0.00 H new ATOM 0 HG3 GLN A 34 14.873 -0.433 13.748 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.279 -1.562 16.012 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.594 -1.459 15.491 1.00 0.00 H new ATOM 564 N HIS A 35 12.831 -3.974 10.938 1.00 0.00 N ATOM 565 CA HIS A 35 11.463 -4.407 10.565 1.00 0.00 C ATOM 566 C HIS A 35 11.505 -5.783 9.855 1.00 0.00 C ATOM 567 O HIS A 35 10.789 -6.003 8.868 1.00 0.00 O ATOM 568 CB HIS A 35 10.790 -3.344 9.645 1.00 0.00 C ATOM 569 CG HIS A 35 10.493 -2.019 10.294 1.00 0.00 C ATOM 570 ND1 HIS A 35 11.088 -0.808 10.166 1.00 0.00 N flip ATOM 571 CD2 HIS A 35 9.450 -1.828 11.177 1.00 0.00 C flip ATOM 572 CE1 HIS A 35 10.396 0.074 10.955 1.00 0.00 C flip ATOM 573 NE2 HIS A 35 9.413 -0.566 11.551 1.00 0.00 N flip ATOM 0 H HIS A 35 13.331 -3.505 10.183 1.00 0.00 H new ATOM 0 HA HIS A 35 10.871 -4.505 11.475 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.438 -3.171 8.786 1.00 0.00 H new ATOM 0 HB3 HIS A 35 9.857 -3.759 9.263 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.768 -2.596 11.510 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.621 1.124 11.069 1.00 0.00 H new ATOM 0 HE2 HIS A 35 8.737 -0.154 12.194 1.00 0.00 H new ATOM 582 N THR A 36 12.317 -6.723 10.394 1.00 0.00 N ATOM 583 CA THR A 36 12.445 -8.080 9.829 1.00 0.00 C ATOM 584 C THR A 36 11.109 -8.837 9.977 1.00 0.00 C ATOM 585 O THR A 36 10.595 -8.920 11.095 1.00 0.00 O ATOM 586 CB THR A 36 13.575 -8.908 10.536 1.00 0.00 C ATOM 587 OG1 THR A 36 14.691 -8.064 10.815 1.00 0.00 O ATOM 588 CG2 THR A 36 14.049 -10.088 9.664 1.00 0.00 C ATOM 0 H THR A 36 12.893 -6.562 11.221 1.00 0.00 H new ATOM 0 HA THR A 36 12.708 -7.968 8.777 1.00 0.00 H new ATOM 0 HB THR A 36 13.159 -9.307 11.461 1.00 0.00 H new ATOM 0 HG1 THR A 36 14.888 -7.512 10.029 1.00 0.00 H new ATOM 0 HG21 THR A 36 14.831 -10.637 10.188 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.209 -10.754 9.466 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.442 -9.709 8.721 1.00 0.00 H new ATOM 596 N PRO A 37 10.506 -9.363 8.863 1.00 0.00 N ATOM 597 CA PRO A 37 9.270 -10.180 8.936 1.00 0.00 C ATOM 598 C PRO A 37 9.463 -11.460 9.791 1.00 0.00 C ATOM 599 O PRO A 37 10.588 -11.955 9.933 1.00 0.00 O ATOM 600 CB PRO A 37 8.982 -10.537 7.447 1.00 0.00 C ATOM 601 CG PRO A 37 9.729 -9.514 6.650 1.00 0.00 C ATOM 602 CD PRO A 37 10.964 -9.191 7.458 1.00 0.00 C ATOM 0 HA PRO A 37 8.451 -9.646 9.417 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.321 -11.546 7.211 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.914 -10.501 7.232 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.995 -9.901 5.666 1.00 0.00 H new ATOM 0 HG3 PRO A 37 9.122 -8.623 6.489 1.00 0.00 H new ATOM 0 HD2 PRO A 37 11.789 -9.862 7.218 1.00 0.00 H new ATOM 0 HD3 PRO A 37 11.314 -8.176 7.270 1.00 0.00 H new ATOM 610 N THR A 38 8.360 -11.973 10.375 1.00 0.00 N ATOM 611 CA THR A 38 8.355 -13.287 11.053 1.00 0.00 C ATOM 612 C THR A 38 8.386 -14.416 10.010 1.00 0.00 C ATOM 613 O THR A 38 8.262 -14.165 8.807 1.00 0.00 O ATOM 614 CB THR A 38 7.102 -13.481 11.984 1.00 0.00 C ATOM 615 OG1 THR A 38 5.888 -13.314 11.239 1.00 0.00 O ATOM 616 CG2 THR A 38 7.100 -12.519 13.179 1.00 0.00 C ATOM 0 H THR A 38 7.459 -11.496 10.391 1.00 0.00 H new ATOM 0 HA THR A 38 9.245 -13.323 11.681 1.00 0.00 H new ATOM 0 HB THR A 38 7.162 -14.497 12.374 1.00 0.00 H new ATOM 0 HG1 THR A 38 5.119 -13.440 11.834 1.00 0.00 H new ATOM 0 HG21 THR A 38 6.213 -12.697 13.788 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.993 -12.685 13.781 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.092 -11.491 12.818 1.00 0.00 H new ATOM 624 N ILE A 39 8.531 -15.655 10.503 1.00 0.00 N ATOM 625 CA ILE A 39 8.481 -16.887 9.682 1.00 0.00 C ATOM 626 C ILE A 39 7.163 -16.950 8.881 1.00 0.00 C ATOM 627 O ILE A 39 7.157 -17.332 7.709 1.00 0.00 O ATOM 628 CB ILE A 39 8.608 -18.150 10.611 1.00 0.00 C ATOM 629 CG1 ILE A 39 9.898 -18.049 11.484 1.00 0.00 C ATOM 630 CG2 ILE A 39 8.593 -19.474 9.804 1.00 0.00 C ATOM 631 CD1 ILE A 39 10.004 -19.105 12.560 1.00 0.00 C ATOM 0 H ILE A 39 8.688 -15.838 11.494 1.00 0.00 H new ATOM 0 HA ILE A 39 9.313 -16.873 8.978 1.00 0.00 H new ATOM 0 HB ILE A 39 7.736 -18.166 11.265 1.00 0.00 H new ATOM 0 HG12 ILE A 39 10.770 -18.121 10.833 1.00 0.00 H new ATOM 0 HG13 ILE A 39 9.930 -17.065 11.952 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.683 -20.318 10.488 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.657 -19.553 9.252 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.429 -19.483 9.104 1.00 0.00 H new ATOM 0 HD11 ILE A 39 10.928 -18.963 13.120 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.154 -19.022 13.237 1.00 0.00 H new ATOM 0 HD13 ILE A 39 10.006 -20.093 12.101 1.00 0.00 H new ATOM 643 N ASN A 40 6.066 -16.537 9.545 1.00 0.00 N ATOM 644 CA ASN A 40 4.717 -16.474 8.956 1.00 0.00 C ATOM 645 C ASN A 40 4.654 -15.441 7.820 1.00 0.00 C ATOM 646 O ASN A 40 4.180 -15.753 6.730 1.00 0.00 O ATOM 647 CB ASN A 40 3.656 -16.128 10.035 1.00 0.00 C ATOM 648 CG ASN A 40 3.557 -17.162 11.162 1.00 0.00 C ATOM 649 OD1 ASN A 40 3.817 -18.345 10.960 1.00 0.00 O ATOM 650 ND2 ASN A 40 3.164 -16.718 12.349 1.00 0.00 N ATOM 0 H ASN A 40 6.094 -16.234 10.519 1.00 0.00 H new ATOM 0 HA ASN A 40 4.496 -17.459 8.545 1.00 0.00 H new ATOM 0 HB2 ASN A 40 3.895 -15.156 10.467 1.00 0.00 H new ATOM 0 HB3 ASN A 40 2.682 -16.033 9.555 1.00 0.00 H new ATOM 0 HD21 ASN A 40 3.069 -17.367 13.130 1.00 0.00 H new ATOM 0 HD22 ASN A 40 2.957 -15.728 12.480 1.00 0.00 H new ATOM 657 N GLU A 41 5.156 -14.215 8.085 1.00 0.00 N ATOM 658 CA GLU A 41 5.127 -13.108 7.103 1.00 0.00 C ATOM 659 C GLU A 41 5.940 -13.463 5.842 1.00 0.00 C ATOM 660 O GLU A 41 5.484 -13.245 4.708 1.00 0.00 O ATOM 661 CB GLU A 41 5.670 -11.797 7.726 1.00 0.00 C ATOM 662 CG GLU A 41 4.926 -11.287 8.971 1.00 0.00 C ATOM 663 CD GLU A 41 3.410 -11.157 8.773 1.00 0.00 C ATOM 664 OE1 GLU A 41 2.975 -10.262 8.007 1.00 0.00 O ATOM 665 OE2 GLU A 41 2.648 -11.951 9.367 1.00 0.00 O ATOM 0 H GLU A 41 5.588 -13.966 8.975 1.00 0.00 H new ATOM 0 HA GLU A 41 4.087 -12.955 6.816 1.00 0.00 H new ATOM 0 HB2 GLU A 41 6.717 -11.949 7.989 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.642 -11.017 6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.118 -11.966 9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.331 -10.315 9.253 1.00 0.00 H new ATOM 672 N PHE A 42 7.138 -14.035 6.073 1.00 0.00 N ATOM 673 CA PHE A 42 8.011 -14.523 5.004 1.00 0.00 C ATOM 674 C PHE A 42 7.280 -15.590 4.159 1.00 0.00 C ATOM 675 O PHE A 42 7.092 -15.395 2.964 1.00 0.00 O ATOM 676 CB PHE A 42 9.347 -15.093 5.566 1.00 0.00 C ATOM 677 CG PHE A 42 10.468 -14.071 5.777 1.00 0.00 C ATOM 678 CD1 PHE A 42 11.019 -13.390 4.686 1.00 0.00 C ATOM 679 CD2 PHE A 42 10.989 -13.813 7.041 1.00 0.00 C ATOM 680 CE1 PHE A 42 12.052 -12.487 4.860 1.00 0.00 C ATOM 681 CE2 PHE A 42 12.026 -12.915 7.212 1.00 0.00 C ATOM 682 CZ PHE A 42 12.556 -12.252 6.124 1.00 0.00 C ATOM 0 H PHE A 42 7.522 -14.169 7.009 1.00 0.00 H new ATOM 0 HA PHE A 42 8.259 -13.675 4.366 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.141 -15.580 6.519 1.00 0.00 H new ATOM 0 HB3 PHE A 42 9.707 -15.864 4.885 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.632 -13.572 3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 42 10.578 -14.321 7.900 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.464 -11.966 4.008 1.00 0.00 H new ATOM 0 HE2 PHE A 42 12.422 -12.732 8.200 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.365 -11.549 6.261 1.00 0.00 H new ATOM 692 N LYS A 43 6.825 -16.693 4.787 1.00 0.00 N ATOM 693 CA LYS A 43 6.199 -17.815 4.042 1.00 0.00 C ATOM 694 C LYS A 43 4.903 -17.380 3.321 1.00 0.00 C ATOM 695 O LYS A 43 4.529 -17.981 2.315 1.00 0.00 O ATOM 696 CB LYS A 43 5.934 -19.049 4.944 1.00 0.00 C ATOM 697 CG LYS A 43 4.876 -18.865 6.050 1.00 0.00 C ATOM 698 CD LYS A 43 4.610 -20.164 6.850 1.00 0.00 C ATOM 699 CE LYS A 43 5.855 -20.722 7.559 1.00 0.00 C ATOM 700 NZ LYS A 43 5.605 -22.056 8.171 1.00 0.00 N ATOM 0 H LYS A 43 6.876 -16.835 5.796 1.00 0.00 H new ATOM 0 HA LYS A 43 6.923 -18.112 3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.625 -19.879 4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.874 -19.339 5.413 1.00 0.00 H new ATOM 0 HG2 LYS A 43 5.205 -18.083 6.735 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.943 -18.523 5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.837 -19.970 7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.218 -20.923 6.173 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.674 -20.800 6.844 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.174 -20.023 8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.508 -22.474 8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.981 -21.948 8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.151 -22.679 7.473 1.00 0.00 H new ATOM 714 N THR A 44 4.250 -16.316 3.824 1.00 0.00 N ATOM 715 CA THR A 44 3.069 -15.732 3.171 1.00 0.00 C ATOM 716 C THR A 44 3.465 -15.063 1.842 1.00 0.00 C ATOM 717 O THR A 44 2.911 -15.401 0.791 1.00 0.00 O ATOM 718 CB THR A 44 2.339 -14.705 4.100 1.00 0.00 C ATOM 719 OG1 THR A 44 1.885 -15.369 5.294 1.00 0.00 O ATOM 720 CG2 THR A 44 1.131 -14.038 3.408 1.00 0.00 C ATOM 0 H THR A 44 4.524 -15.843 4.685 1.00 0.00 H new ATOM 0 HA THR A 44 2.372 -16.545 2.967 1.00 0.00 H new ATOM 0 HB THR A 44 3.059 -13.924 4.342 1.00 0.00 H new ATOM 0 HG1 THR A 44 2.656 -15.594 5.856 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.660 -13.335 4.095 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.469 -13.505 2.519 1.00 0.00 H new ATOM 0 HG23 THR A 44 0.409 -14.802 3.120 1.00 0.00 H new ATOM 728 N ILE A 45 4.459 -14.144 1.893 1.00 0.00 N ATOM 729 CA ILE A 45 4.891 -13.395 0.695 1.00 0.00 C ATOM 730 C ILE A 45 5.506 -14.351 -0.350 1.00 0.00 C ATOM 731 O ILE A 45 5.351 -14.142 -1.535 1.00 0.00 O ATOM 732 CB ILE A 45 5.888 -12.211 1.017 1.00 0.00 C ATOM 733 CG1 ILE A 45 7.299 -12.721 1.489 1.00 0.00 C ATOM 734 CG2 ILE A 45 5.257 -11.233 2.043 1.00 0.00 C ATOM 735 CD1 ILE A 45 8.311 -11.634 1.827 1.00 0.00 C ATOM 0 H ILE A 45 4.970 -13.907 2.743 1.00 0.00 H new ATOM 0 HA ILE A 45 3.993 -12.935 0.283 1.00 0.00 H new ATOM 0 HB ILE A 45 6.060 -11.668 0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.163 -13.352 2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.718 -13.352 0.706 1.00 0.00 H new ATOM 0 HG21 ILE A 45 5.957 -10.424 2.253 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.336 -10.818 1.632 1.00 0.00 H new ATOM 0 HG23 ILE A 45 5.034 -11.768 2.966 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.248 -12.094 2.141 1.00 0.00 H new ATOM 0 HD12 ILE A 45 8.487 -11.015 0.947 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.923 -11.014 2.635 1.00 0.00 H new ATOM 747 N ILE A 46 6.153 -15.423 0.128 1.00 0.00 N ATOM 748 CA ILE A 46 6.786 -16.456 -0.724 1.00 0.00 C ATOM 749 C ILE A 46 5.721 -17.357 -1.373 1.00 0.00 C ATOM 750 O ILE A 46 5.881 -17.778 -2.518 1.00 0.00 O ATOM 751 CB ILE A 46 7.818 -17.293 0.127 1.00 0.00 C ATOM 752 CG1 ILE A 46 8.988 -16.359 0.578 1.00 0.00 C ATOM 753 CG2 ILE A 46 8.361 -18.530 -0.635 1.00 0.00 C ATOM 754 CD1 ILE A 46 9.726 -16.828 1.802 1.00 0.00 C ATOM 0 H ILE A 46 6.256 -15.605 1.126 1.00 0.00 H new ATOM 0 HA ILE A 46 7.329 -15.967 -1.533 1.00 0.00 H new ATOM 0 HB ILE A 46 7.295 -17.682 1.001 1.00 0.00 H new ATOM 0 HG12 ILE A 46 9.697 -16.264 -0.244 1.00 0.00 H new ATOM 0 HG13 ILE A 46 8.588 -15.364 0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.066 -19.067 -0.001 1.00 0.00 H new ATOM 0 HG22 ILE A 46 7.533 -19.189 -0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.866 -18.204 -1.544 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.520 -16.120 2.042 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.033 -16.895 2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.161 -17.809 1.611 1.00 0.00 H new ATOM 766 N ALA A 47 4.633 -17.632 -0.633 1.00 0.00 N ATOM 767 CA ALA A 47 3.487 -18.405 -1.155 1.00 0.00 C ATOM 768 C ALA A 47 2.762 -17.626 -2.267 1.00 0.00 C ATOM 769 O ALA A 47 2.375 -18.193 -3.293 1.00 0.00 O ATOM 770 CB ALA A 47 2.511 -18.750 -0.016 1.00 0.00 C ATOM 0 H ALA A 47 4.521 -17.329 0.335 1.00 0.00 H new ATOM 0 HA ALA A 47 3.867 -19.333 -1.582 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.672 -19.319 -0.416 1.00 0.00 H new ATOM 0 HB2 ALA A 47 3.027 -19.345 0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.142 -17.830 0.438 1.00 0.00 H new ATOM 776 N ASN A 48 2.625 -16.309 -2.052 1.00 0.00 N ATOM 777 CA ASN A 48 1.848 -15.417 -2.929 1.00 0.00 C ATOM 778 C ASN A 48 2.645 -15.015 -4.194 1.00 0.00 C ATOM 779 O ASN A 48 2.080 -14.975 -5.291 1.00 0.00 O ATOM 780 CB ASN A 48 1.391 -14.162 -2.129 1.00 0.00 C ATOM 781 CG ASN A 48 0.302 -14.426 -1.064 1.00 0.00 C ATOM 782 OD1 ASN A 48 0.320 -15.583 -0.413 1.00 0.00 O flip ATOM 783 ND2 ASN A 48 -0.544 -13.566 -0.810 1.00 0.00 N flip ATOM 0 H ASN A 48 3.052 -15.829 -1.260 1.00 0.00 H new ATOM 0 HA ASN A 48 0.967 -15.958 -3.273 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.261 -13.727 -1.637 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.017 -13.418 -2.832 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.543 -12.683 -1.320 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -1.245 -13.738 -0.090 1.00 0.00 H new ATOM 790 N THR A 49 3.952 -14.723 -4.043 1.00 0.00 N ATOM 791 CA THR A 49 4.825 -14.314 -5.171 1.00 0.00 C ATOM 792 C THR A 49 5.375 -15.538 -5.920 1.00 0.00 C ATOM 793 O THR A 49 5.497 -15.527 -7.151 1.00 0.00 O ATOM 794 CB THR A 49 6.035 -13.443 -4.686 1.00 0.00 C ATOM 795 OG1 THR A 49 6.861 -14.207 -3.790 1.00 0.00 O ATOM 796 CG2 THR A 49 5.579 -12.159 -3.976 1.00 0.00 C ATOM 0 H THR A 49 4.433 -14.762 -3.145 1.00 0.00 H new ATOM 0 HA THR A 49 4.203 -13.720 -5.840 1.00 0.00 H new ATOM 0 HB THR A 49 6.600 -13.156 -5.573 1.00 0.00 H new ATOM 0 HG1 THR A 49 6.361 -14.401 -2.969 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.452 -11.589 -3.658 1.00 0.00 H new ATOM 0 HG22 THR A 49 4.982 -11.557 -4.661 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.979 -12.419 -3.104 1.00 0.00 H new ATOM 804 N GLY A 50 5.698 -16.583 -5.151 1.00 0.00 N ATOM 805 CA GLY A 50 6.394 -17.756 -5.667 1.00 0.00 C ATOM 806 C GLY A 50 7.894 -17.526 -5.783 1.00 0.00 C ATOM 807 O GLY A 50 8.551 -18.112 -6.653 1.00 0.00 O ATOM 0 H GLY A 50 5.483 -16.635 -4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 50 6.208 -18.606 -5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 50 5.991 -18.015 -6.646 1.00 0.00 H new ATOM 811 N VAL A 51 8.440 -16.661 -4.896 1.00 0.00 N ATOM 812 CA VAL A 51 9.879 -16.343 -4.889 1.00 0.00 C ATOM 813 C VAL A 51 10.663 -17.482 -4.220 1.00 0.00 C ATOM 814 O VAL A 51 10.120 -18.205 -3.370 1.00 0.00 O ATOM 815 CB VAL A 51 10.177 -14.965 -4.171 1.00 0.00 C ATOM 816 CG1 VAL A 51 9.891 -15.010 -2.654 1.00 0.00 C ATOM 817 CG2 VAL A 51 11.619 -14.468 -4.446 1.00 0.00 C ATOM 0 H VAL A 51 7.903 -16.174 -4.179 1.00 0.00 H new ATOM 0 HA VAL A 51 10.204 -16.242 -5.924 1.00 0.00 H new ATOM 0 HB VAL A 51 9.485 -14.245 -4.607 1.00 0.00 H new ATOM 0 HG11 VAL A 51 10.113 -14.038 -2.213 1.00 0.00 H new ATOM 0 HG12 VAL A 51 8.841 -15.252 -2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 51 10.517 -15.771 -2.188 1.00 0.00 H new ATOM 0 HG21 VAL A 51 11.781 -13.519 -3.934 1.00 0.00 H new ATOM 0 HG22 VAL A 51 12.334 -15.205 -4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 51 11.758 -14.330 -5.518 1.00 0.00 H new ATOM 827 N GLU A 52 11.922 -17.664 -4.635 1.00 0.00 N ATOM 828 CA GLU A 52 12.822 -18.618 -4.004 1.00 0.00 C ATOM 829 C GLU A 52 13.190 -18.127 -2.597 1.00 0.00 C ATOM 830 O GLU A 52 13.708 -17.023 -2.420 1.00 0.00 O ATOM 831 CB GLU A 52 14.085 -18.837 -4.868 1.00 0.00 C ATOM 832 CG GLU A 52 13.794 -19.439 -6.250 1.00 0.00 C ATOM 833 CD GLU A 52 15.067 -19.713 -7.060 1.00 0.00 C ATOM 834 OE1 GLU A 52 15.668 -18.748 -7.573 1.00 0.00 O ATOM 835 OE2 GLU A 52 15.494 -20.886 -7.145 1.00 0.00 O ATOM 0 H GLU A 52 12.338 -17.154 -5.414 1.00 0.00 H new ATOM 0 HA GLU A 52 12.316 -19.580 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.595 -17.882 -4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 52 14.770 -19.494 -4.333 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.240 -20.370 -6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.152 -18.758 -6.810 1.00 0.00 H new ATOM 842 N ILE A 53 12.870 -18.962 -1.611 1.00 0.00 N ATOM 843 CA ILE A 53 13.164 -18.711 -0.191 1.00 0.00 C ATOM 844 C ILE A 53 14.702 -18.634 0.016 1.00 0.00 C ATOM 845 O ILE A 53 15.202 -17.873 0.852 1.00 0.00 O ATOM 846 CB ILE A 53 12.484 -19.852 0.680 1.00 0.00 C ATOM 847 CG1 ILE A 53 12.184 -19.411 2.147 1.00 0.00 C ATOM 848 CG2 ILE A 53 13.285 -21.173 0.655 1.00 0.00 C ATOM 849 CD1 ILE A 53 13.365 -19.279 3.082 1.00 0.00 C ATOM 0 H ILE A 53 12.391 -19.848 -1.773 1.00 0.00 H new ATOM 0 HA ILE A 53 12.752 -17.755 0.132 1.00 0.00 H new ATOM 0 HB ILE A 53 11.522 -20.038 0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.670 -18.450 2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 53 11.488 -20.129 2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.776 -21.919 1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.359 -21.534 -0.371 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.285 -21.000 1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 53 13.017 -18.967 4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.873 -20.240 3.165 1.00 0.00 H new ATOM 0 HD13 ILE A 53 14.058 -18.535 2.690 1.00 0.00 H new ATOM 861 N ASN A 54 15.424 -19.395 -0.821 1.00 0.00 N ATOM 862 CA ASN A 54 16.879 -19.519 -0.758 1.00 0.00 C ATOM 863 C ASN A 54 17.579 -18.271 -1.353 1.00 0.00 C ATOM 864 O ASN A 54 18.674 -17.912 -0.896 1.00 0.00 O ATOM 865 CB ASN A 54 17.300 -20.824 -1.481 1.00 0.00 C ATOM 866 CG ASN A 54 18.799 -21.122 -1.410 1.00 0.00 C ATOM 867 OD1 ASN A 54 19.280 -21.743 -0.459 1.00 0.00 O ATOM 868 ND2 ASN A 54 19.541 -20.695 -2.420 1.00 0.00 N ATOM 0 H ASN A 54 15.003 -19.947 -1.569 1.00 0.00 H new ATOM 0 HA ASN A 54 17.196 -19.575 0.283 1.00 0.00 H new ATOM 0 HB2 ASN A 54 16.753 -21.660 -1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 54 17.003 -20.759 -2.528 1.00 0.00 H new ATOM 0 HD21 ASN A 54 20.545 -20.877 -2.428 1.00 0.00 H new ATOM 0 HD22 ASN A 54 19.109 -20.184 -3.190 1.00 0.00 H new ATOM 875 N LYS A 55 16.942 -17.591 -2.355 1.00 0.00 N ATOM 876 CA LYS A 55 17.519 -16.345 -2.936 1.00 0.00 C ATOM 877 C LYS A 55 17.318 -15.137 -2.004 1.00 0.00 C ATOM 878 O LYS A 55 17.897 -14.071 -2.243 1.00 0.00 O ATOM 879 CB LYS A 55 16.958 -15.996 -4.348 1.00 0.00 C ATOM 880 CG LYS A 55 15.509 -15.420 -4.387 1.00 0.00 C ATOM 881 CD LYS A 55 15.277 -14.404 -5.537 1.00 0.00 C ATOM 882 CE LYS A 55 15.643 -14.945 -6.927 1.00 0.00 C ATOM 883 NZ LYS A 55 14.800 -16.090 -7.327 1.00 0.00 N ATOM 0 H LYS A 55 16.053 -17.878 -2.765 1.00 0.00 H new ATOM 0 HA LYS A 55 18.583 -16.555 -3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.627 -15.273 -4.814 1.00 0.00 H new ATOM 0 HB3 LYS A 55 16.986 -16.897 -4.961 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.802 -16.243 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 55 15.294 -14.935 -3.435 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.229 -14.105 -5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 55 15.864 -13.507 -5.341 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.540 -14.147 -7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 55 16.690 -15.249 -6.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.372 -16.959 -7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.013 -16.193 -6.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.421 -15.925 -8.281 1.00 0.00 H new ATOM 897 N LEU A 56 16.471 -15.293 -0.967 1.00 0.00 N ATOM 898 CA LEU A 56 16.264 -14.237 0.039 1.00 0.00 C ATOM 899 C LEU A 56 17.507 -14.088 0.927 1.00 0.00 C ATOM 900 O LEU A 56 17.706 -13.046 1.522 1.00 0.00 O ATOM 901 CB LEU A 56 15.007 -14.497 0.898 1.00 0.00 C ATOM 902 CG LEU A 56 13.653 -14.643 0.132 1.00 0.00 C ATOM 903 CD1 LEU A 56 12.468 -14.662 1.114 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.464 -13.545 -0.942 1.00 0.00 C ATOM 0 H LEU A 56 15.922 -16.137 -0.806 1.00 0.00 H new ATOM 0 HA LEU A 56 16.102 -13.302 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 56 15.171 -15.407 1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.908 -13.680 1.612 1.00 0.00 H new ATOM 0 HG LEU A 56 13.684 -15.598 -0.393 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.536 -14.764 0.558 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.576 -15.503 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 56 12.451 -13.732 1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.509 -13.690 -1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.478 -12.564 -0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.272 -13.606 -1.671 1.00 0.00 H new ATOM 916 N PHE A 57 18.331 -15.147 1.000 1.00 0.00 N ATOM 917 CA PHE A 57 19.672 -15.075 1.613 1.00 0.00 C ATOM 918 C PHE A 57 20.618 -14.241 0.735 1.00 0.00 C ATOM 919 O PHE A 57 20.375 -14.074 -0.473 1.00 0.00 O ATOM 920 CB PHE A 57 20.265 -16.490 1.813 1.00 0.00 C ATOM 921 CG PHE A 57 19.584 -17.313 2.906 1.00 0.00 C ATOM 922 CD1 PHE A 57 18.455 -18.083 2.628 1.00 0.00 C ATOM 923 CD2 PHE A 57 20.076 -17.311 4.215 1.00 0.00 C ATOM 924 CE1 PHE A 57 17.844 -18.825 3.620 1.00 0.00 C ATOM 925 CE2 PHE A 57 19.462 -18.055 5.206 1.00 0.00 C ATOM 926 CZ PHE A 57 18.350 -18.812 4.908 1.00 0.00 C ATOM 0 H PHE A 57 18.091 -16.071 0.640 1.00 0.00 H new ATOM 0 HA PHE A 57 19.569 -14.597 2.587 1.00 0.00 H new ATOM 0 HB2 PHE A 57 20.199 -17.035 0.871 1.00 0.00 H new ATOM 0 HB3 PHE A 57 21.324 -16.396 2.053 1.00 0.00 H new ATOM 0 HD1 PHE A 57 18.054 -18.099 1.625 1.00 0.00 H new ATOM 0 HD2 PHE A 57 20.948 -16.720 4.455 1.00 0.00 H new ATOM 0 HE1 PHE A 57 16.970 -19.416 3.390 1.00 0.00 H new ATOM 0 HE2 PHE A 57 19.854 -18.043 6.212 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.873 -19.396 5.681 1.00 0.00 H new ATOM 936 N ASN A 58 21.701 -13.732 1.351 1.00 0.00 N ATOM 937 CA ASN A 58 22.728 -12.945 0.650 1.00 0.00 C ATOM 938 C ASN A 58 23.485 -13.845 -0.368 1.00 0.00 C ATOM 939 O ASN A 58 24.456 -14.523 -0.015 1.00 0.00 O ATOM 940 CB ASN A 58 23.708 -12.298 1.674 1.00 0.00 C ATOM 941 CG ASN A 58 24.677 -11.300 1.028 1.00 0.00 C ATOM 942 OD1 ASN A 58 25.755 -11.665 0.564 1.00 0.00 O ATOM 943 ND2 ASN A 58 24.290 -10.033 0.989 1.00 0.00 N ATOM 0 H ASN A 58 21.887 -13.855 2.346 1.00 0.00 H new ATOM 0 HA ASN A 58 22.246 -12.139 0.097 1.00 0.00 H new ATOM 0 HB2 ASN A 58 23.133 -11.789 2.447 1.00 0.00 H new ATOM 0 HB3 ASN A 58 24.280 -13.084 2.168 1.00 0.00 H new ATOM 0 HD21 ASN A 58 24.893 -9.328 0.565 1.00 0.00 H new ATOM 0 HD22 ASN A 58 23.389 -9.763 1.383 1.00 0.00 H new ATOM 999 N LYS A 63 28.838 -13.388 4.105 1.00 0.00 N ATOM 1000 CA LYS A 63 28.404 -14.065 5.341 1.00 0.00 C ATOM 1001 C LYS A 63 27.782 -15.432 5.032 1.00 0.00 C ATOM 1002 O LYS A 63 27.909 -16.350 5.819 1.00 0.00 O ATOM 1003 CB LYS A 63 27.415 -13.185 6.121 1.00 0.00 C ATOM 1004 CG LYS A 63 28.021 -11.844 6.606 1.00 0.00 C ATOM 1005 CD LYS A 63 26.953 -10.859 7.133 1.00 0.00 C ATOM 1006 CE LYS A 63 25.916 -10.516 6.053 1.00 0.00 C ATOM 1007 NZ LYS A 63 25.043 -9.390 6.459 1.00 0.00 N ATOM 0 HA LYS A 63 29.285 -14.229 5.962 1.00 0.00 H new ATOM 0 HB2 LYS A 63 26.552 -12.976 5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 63 27.050 -13.742 6.984 1.00 0.00 H new ATOM 0 HG2 LYS A 63 28.746 -12.043 7.395 1.00 0.00 H new ATOM 0 HG3 LYS A 63 28.564 -11.378 5.784 1.00 0.00 H new ATOM 0 HD2 LYS A 63 26.450 -11.295 7.996 1.00 0.00 H new ATOM 0 HD3 LYS A 63 27.438 -9.945 7.475 1.00 0.00 H new ATOM 0 HE2 LYS A 63 26.429 -10.261 5.126 1.00 0.00 H new ATOM 0 HE3 LYS A 63 25.303 -11.394 5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 24.066 -9.583 6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 25.075 -9.282 7.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 25.375 -8.513 6.009 1.00 0.00 H new ATOM 1021 N TYR A 64 27.143 -15.563 3.864 1.00 0.00 N ATOM 1022 CA TYR A 64 26.550 -16.838 3.401 1.00 0.00 C ATOM 1023 C TYR A 64 27.612 -17.976 3.382 1.00 0.00 C ATOM 1024 O TYR A 64 27.291 -19.151 3.612 1.00 0.00 O ATOM 1025 CB TYR A 64 25.926 -16.628 1.997 1.00 0.00 C ATOM 1026 CG TYR A 64 25.021 -17.769 1.511 1.00 0.00 C ATOM 1027 CD1 TYR A 64 23.748 -17.940 2.054 1.00 0.00 C ATOM 1028 CD2 TYR A 64 25.425 -18.663 0.513 1.00 0.00 C ATOM 1029 CE1 TYR A 64 22.918 -18.952 1.624 1.00 0.00 C ATOM 1030 CE2 TYR A 64 24.591 -19.676 0.083 1.00 0.00 C ATOM 1031 CZ TYR A 64 23.340 -19.819 0.642 1.00 0.00 C ATOM 1032 OH TYR A 64 22.506 -20.830 0.213 1.00 0.00 O ATOM 0 H TYR A 64 27.018 -14.792 3.208 1.00 0.00 H new ATOM 0 HA TYR A 64 25.768 -17.143 4.096 1.00 0.00 H new ATOM 0 HB2 TYR A 64 25.347 -15.705 2.008 1.00 0.00 H new ATOM 0 HB3 TYR A 64 26.731 -16.491 1.275 1.00 0.00 H new ATOM 0 HD1 TYR A 64 23.406 -17.266 2.826 1.00 0.00 H new ATOM 0 HD2 TYR A 64 26.405 -18.559 0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 64 21.935 -19.065 2.058 1.00 0.00 H new ATOM 0 HE2 TYR A 64 24.919 -20.355 -0.690 1.00 0.00 H new ATOM 0 HH TYR A 64 22.457 -20.820 -0.766 1.00 0.00 H new ATOM 1042 N ARG A 65 28.880 -17.580 3.139 1.00 0.00 N ATOM 1043 CA ARG A 65 30.037 -18.497 3.143 1.00 0.00 C ATOM 1044 C ARG A 65 30.729 -18.477 4.531 1.00 0.00 C ATOM 1045 O ARG A 65 31.254 -19.493 4.979 1.00 0.00 O ATOM 1046 CB ARG A 65 31.029 -18.120 1.985 1.00 0.00 C ATOM 1047 CG ARG A 65 31.857 -16.808 2.174 1.00 0.00 C ATOM 1048 CD ARG A 65 33.237 -17.032 2.854 1.00 0.00 C ATOM 1049 NE ARG A 65 33.724 -15.835 3.580 1.00 0.00 N ATOM 1050 CZ ARG A 65 34.698 -15.006 3.178 1.00 0.00 C ATOM 1051 NH1 ARG A 65 35.224 -15.094 1.963 1.00 0.00 N ATOM 1052 NH2 ARG A 65 35.132 -14.070 4.005 1.00 0.00 N ATOM 0 H ARG A 65 29.129 -16.612 2.934 1.00 0.00 H new ATOM 0 HA ARG A 65 29.694 -19.516 2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 65 31.726 -18.947 1.851 1.00 0.00 H new ATOM 0 HB3 ARG A 65 30.457 -18.032 1.061 1.00 0.00 H new ATOM 0 HG2 ARG A 65 32.013 -16.344 1.200 1.00 0.00 H new ATOM 0 HG3 ARG A 65 31.277 -16.106 2.773 1.00 0.00 H new ATOM 0 HD2 ARG A 65 33.162 -17.867 3.550 1.00 0.00 H new ATOM 0 HD3 ARG A 65 33.968 -17.313 2.096 1.00 0.00 H new ATOM 0 HE ARG A 65 33.275 -15.622 4.471 1.00 0.00 H new ATOM 0 HH11 ARG A 65 34.888 -15.804 1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 65 35.964 -14.452 1.680 1.00 0.00 H new ATOM 0 HH21 ARG A 65 34.726 -13.985 4.937 1.00 0.00 H new ATOM 0 HH22 ARG A 65 35.873 -13.433 3.711 1.00 0.00 H new ATOM 1066 N GLU A 66 30.701 -17.295 5.202 1.00 0.00 N ATOM 1067 CA GLU A 66 31.389 -17.047 6.498 1.00 0.00 C ATOM 1068 C GLU A 66 30.773 -17.888 7.629 1.00 0.00 C ATOM 1069 O GLU A 66 31.457 -18.286 8.574 1.00 0.00 O ATOM 1070 CB GLU A 66 31.291 -15.540 6.863 1.00 0.00 C ATOM 1071 CG GLU A 66 32.197 -15.063 8.014 1.00 0.00 C ATOM 1072 CD GLU A 66 33.693 -15.116 7.662 1.00 0.00 C ATOM 1073 OE1 GLU A 66 34.116 -14.348 6.766 1.00 0.00 O ATOM 1074 OE2 GLU A 66 34.443 -15.918 8.262 1.00 0.00 O ATOM 0 H GLU A 66 30.195 -16.480 4.855 1.00 0.00 H new ATOM 0 HA GLU A 66 32.434 -17.337 6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 66 31.528 -14.955 5.974 1.00 0.00 H new ATOM 0 HB3 GLU A 66 30.257 -15.317 7.125 1.00 0.00 H new ATOM 0 HG2 GLU A 66 31.928 -14.041 8.281 1.00 0.00 H new ATOM 0 HG3 GLU A 66 32.014 -15.681 8.893 1.00 0.00 H new ATOM 1081 N LEU A 67 29.456 -18.110 7.525 1.00 0.00 N ATOM 1082 CA LEU A 67 28.679 -18.923 8.479 1.00 0.00 C ATOM 1083 C LEU A 67 28.524 -20.368 7.946 1.00 0.00 C ATOM 1084 O LEU A 67 27.996 -21.237 8.641 1.00 0.00 O ATOM 1085 CB LEU A 67 27.260 -18.308 8.693 1.00 0.00 C ATOM 1086 CG LEU A 67 27.137 -16.752 8.765 1.00 0.00 C ATOM 1087 CD1 LEU A 67 25.687 -16.335 9.048 1.00 0.00 C ATOM 1088 CD2 LEU A 67 28.110 -16.103 9.766 1.00 0.00 C ATOM 0 H LEU A 67 28.890 -17.727 6.768 1.00 0.00 H new ATOM 0 HA LEU A 67 29.215 -18.936 9.428 1.00 0.00 H new ATOM 0 HB2 LEU A 67 26.620 -18.656 7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 67 26.855 -18.718 9.618 1.00 0.00 H new ATOM 0 HG LEU A 67 27.428 -16.376 7.784 1.00 0.00 H new ATOM 0 HD11 LEU A 67 25.623 -15.248 9.094 1.00 0.00 H new ATOM 0 HD12 LEU A 67 25.041 -16.703 8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 67 25.366 -16.758 10.000 1.00 0.00 H new ATOM 0 HD21 LEU A 67 27.968 -15.022 9.763 1.00 0.00 H new ATOM 0 HD22 LEU A 67 27.916 -16.491 10.766 1.00 0.00 H new ATOM 0 HD23 LEU A 67 29.136 -16.335 9.479 1.00 0.00 H new ATOM 1100 N ASP A 68 28.968 -20.566 6.682 1.00 0.00 N ATOM 1101 CA ASP A 68 28.778 -21.793 5.864 1.00 0.00 C ATOM 1102 C ASP A 68 27.329 -22.307 5.937 1.00 0.00 C ATOM 1103 O ASP A 68 27.073 -23.500 6.107 1.00 0.00 O ATOM 1104 CB ASP A 68 29.865 -22.902 6.146 1.00 0.00 C ATOM 1105 CG ASP A 68 29.768 -23.664 7.496 1.00 0.00 C ATOM 1106 OD1 ASP A 68 30.195 -23.121 8.535 1.00 0.00 O ATOM 1107 OD2 ASP A 68 29.308 -24.830 7.514 1.00 0.00 O ATOM 0 H ASP A 68 29.490 -19.847 6.182 1.00 0.00 H new ATOM 0 HA ASP A 68 28.945 -21.510 4.825 1.00 0.00 H new ATOM 0 HB2 ASP A 68 29.817 -23.635 5.340 1.00 0.00 H new ATOM 0 HB3 ASP A 68 30.848 -22.433 6.092 1.00 0.00 H new ATOM 1112 N LEU A 69 26.372 -21.361 5.751 1.00 0.00 N ATOM 1113 CA LEU A 69 24.934 -21.666 5.800 1.00 0.00 C ATOM 1114 C LEU A 69 24.546 -22.707 4.751 1.00 0.00 C ATOM 1115 O LEU A 69 23.763 -23.584 5.055 1.00 0.00 O ATOM 1116 CB LEU A 69 24.048 -20.404 5.623 1.00 0.00 C ATOM 1117 CG LEU A 69 24.023 -19.401 6.812 1.00 0.00 C ATOM 1118 CD1 LEU A 69 23.102 -18.210 6.495 1.00 0.00 C ATOM 1119 CD2 LEU A 69 23.587 -20.093 8.132 1.00 0.00 C ATOM 0 H LEU A 69 26.581 -20.380 5.566 1.00 0.00 H new ATOM 0 HA LEU A 69 24.751 -22.071 6.795 1.00 0.00 H new ATOM 0 HB2 LEU A 69 24.387 -19.871 4.734 1.00 0.00 H new ATOM 0 HB3 LEU A 69 23.026 -20.729 5.429 1.00 0.00 H new ATOM 0 HG LEU A 69 25.038 -19.029 6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 69 23.097 -17.519 7.338 1.00 0.00 H new ATOM 0 HD12 LEU A 69 23.466 -17.695 5.606 1.00 0.00 H new ATOM 0 HD13 LEU A 69 22.089 -18.571 6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 69 23.581 -19.362 8.941 1.00 0.00 H new ATOM 0 HD22 LEU A 69 22.587 -20.509 8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 69 24.287 -20.894 8.371 1.00 0.00 H new ATOM 1131 N LYS A 70 25.125 -22.617 3.536 1.00 0.00 N ATOM 1132 CA LYS A 70 24.783 -23.515 2.406 1.00 0.00 C ATOM 1133 C LYS A 70 24.882 -25.015 2.800 1.00 0.00 C ATOM 1134 O LYS A 70 24.035 -25.831 2.400 1.00 0.00 O ATOM 1135 CB LYS A 70 25.701 -23.208 1.194 1.00 0.00 C ATOM 1136 CG LYS A 70 25.347 -23.985 -0.100 1.00 0.00 C ATOM 1137 CD LYS A 70 23.904 -23.720 -0.593 1.00 0.00 C ATOM 1138 CE LYS A 70 23.542 -24.540 -1.839 1.00 0.00 C ATOM 1139 NZ LYS A 70 24.420 -24.236 -2.999 1.00 0.00 N ATOM 0 H LYS A 70 25.839 -21.925 3.308 1.00 0.00 H new ATOM 0 HA LYS A 70 23.745 -23.325 2.132 1.00 0.00 H new ATOM 0 HB2 LYS A 70 25.657 -22.139 0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 70 26.731 -23.436 1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 70 26.049 -23.708 -0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 70 25.473 -25.053 0.079 1.00 0.00 H new ATOM 0 HD2 LYS A 70 23.202 -23.955 0.207 1.00 0.00 H new ATOM 0 HD3 LYS A 70 23.790 -22.659 -0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 70 23.612 -25.602 -1.603 1.00 0.00 H new ATOM 0 HE3 LYS A 70 22.505 -24.342 -2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 24.081 -24.752 -3.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 24.400 -23.214 -3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 25.394 -24.529 -2.783 1.00 0.00 H new ATOM 1153 N ASN A 71 25.901 -25.319 3.628 1.00 0.00 N ATOM 1154 CA ASN A 71 26.133 -26.658 4.216 1.00 0.00 C ATOM 1155 C ASN A 71 24.886 -27.189 4.954 1.00 0.00 C ATOM 1156 O ASN A 71 24.455 -28.324 4.722 1.00 0.00 O ATOM 1157 CB ASN A 71 27.340 -26.582 5.189 1.00 0.00 C ATOM 1158 CG ASN A 71 27.603 -27.859 6.006 1.00 0.00 C ATOM 1159 OD1 ASN A 71 27.099 -28.010 7.124 1.00 0.00 O ATOM 1160 ND2 ASN A 71 28.380 -28.781 5.458 1.00 0.00 N ATOM 0 H ASN A 71 26.599 -24.632 3.913 1.00 0.00 H new ATOM 0 HA ASN A 71 26.347 -27.355 3.406 1.00 0.00 H new ATOM 0 HB2 ASN A 71 28.236 -26.347 4.614 1.00 0.00 H new ATOM 0 HB3 ASN A 71 27.178 -25.755 5.880 1.00 0.00 H new ATOM 0 HD21 ASN A 71 28.577 -29.646 5.961 1.00 0.00 H new ATOM 0 HD22 ASN A 71 28.781 -28.626 4.533 1.00 0.00 H new ATOM 1167 N LYS A 72 24.315 -26.361 5.849 1.00 0.00 N ATOM 1168 CA LYS A 72 23.119 -26.744 6.618 1.00 0.00 C ATOM 1169 C LYS A 72 21.840 -26.567 5.771 1.00 0.00 C ATOM 1170 O LYS A 72 20.923 -27.359 5.913 1.00 0.00 O ATOM 1171 CB LYS A 72 23.028 -25.967 7.970 1.00 0.00 C ATOM 1172 CG LYS A 72 22.857 -24.444 7.854 1.00 0.00 C ATOM 1173 CD LYS A 72 22.850 -23.732 9.236 1.00 0.00 C ATOM 1174 CE LYS A 72 21.528 -23.903 10.002 1.00 0.00 C ATOM 1175 NZ LYS A 72 21.589 -23.384 11.400 1.00 0.00 N ATOM 0 H LYS A 72 24.663 -25.425 6.056 1.00 0.00 H new ATOM 0 HA LYS A 72 23.209 -27.801 6.867 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.190 -26.366 8.541 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.931 -26.170 8.546 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.665 -24.038 7.245 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.924 -24.226 7.333 1.00 0.00 H new ATOM 0 HD2 LYS A 72 23.667 -24.124 9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 72 23.042 -22.669 9.090 1.00 0.00 H new ATOM 0 HE2 LYS A 72 20.734 -23.386 9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 72 21.262 -24.960 10.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 20.669 -23.527 11.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 22.326 -23.894 11.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.814 -22.369 11.384 1.00 0.00 H new ATOM 1189 N LEU A 73 21.818 -25.581 4.838 1.00 0.00 N ATOM 1190 CA LEU A 73 20.592 -25.216 4.070 1.00 0.00 C ATOM 1191 C LEU A 73 20.161 -26.337 3.118 1.00 0.00 C ATOM 1192 O LEU A 73 18.957 -26.559 2.906 1.00 0.00 O ATOM 1193 CB LEU A 73 20.753 -23.888 3.265 1.00 0.00 C ATOM 1194 CG LEU A 73 20.954 -22.572 4.088 1.00 0.00 C ATOM 1195 CD1 LEU A 73 20.799 -21.319 3.203 1.00 0.00 C ATOM 1196 CD2 LEU A 73 20.029 -22.503 5.317 1.00 0.00 C ATOM 0 H LEU A 73 22.636 -25.021 4.597 1.00 0.00 H new ATOM 0 HA LEU A 73 19.816 -25.065 4.820 1.00 0.00 H new ATOM 0 HB2 LEU A 73 21.605 -24.001 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 73 19.869 -23.763 2.639 1.00 0.00 H new ATOM 0 HG LEU A 73 21.978 -22.593 4.460 1.00 0.00 H new ATOM 0 HD11 LEU A 73 20.945 -20.425 3.809 1.00 0.00 H new ATOM 0 HD12 LEU A 73 21.542 -21.342 2.406 1.00 0.00 H new ATOM 0 HD13 LEU A 73 19.800 -21.303 2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 73 20.207 -21.572 5.854 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.989 -22.542 4.992 1.00 0.00 H new ATOM 0 HD23 LEU A 73 20.235 -23.347 5.975 1.00 0.00 H new ATOM 1208 N GLN A 74 21.156 -27.037 2.555 1.00 0.00 N ATOM 1209 CA GLN A 74 20.917 -28.138 1.603 1.00 0.00 C ATOM 1210 C GLN A 74 20.375 -29.411 2.305 1.00 0.00 C ATOM 1211 O GLN A 74 19.944 -30.350 1.627 1.00 0.00 O ATOM 1212 CB GLN A 74 22.222 -28.452 0.824 1.00 0.00 C ATOM 1213 CG GLN A 74 23.384 -28.973 1.692 1.00 0.00 C ATOM 1214 CD GLN A 74 24.701 -29.170 0.930 1.00 0.00 C ATOM 1215 OE1 GLN A 74 24.982 -28.319 -0.053 1.00 0.00 O flip ATOM 1216 NE2 GLN A 74 25.479 -30.065 1.251 1.00 0.00 N flip ATOM 0 H GLN A 74 22.143 -26.860 2.743 1.00 0.00 H new ATOM 0 HA GLN A 74 20.148 -27.813 0.902 1.00 0.00 H new ATOM 0 HB2 GLN A 74 22.000 -29.193 0.056 1.00 0.00 H new ATOM 0 HB3 GLN A 74 22.548 -27.548 0.310 1.00 0.00 H new ATOM 0 HG2 GLN A 74 23.553 -28.274 2.511 1.00 0.00 H new ATOM 0 HG3 GLN A 74 23.091 -29.923 2.139 1.00 0.00 H new ATOM 0 HE21 GLN A 74 25.237 -30.703 2.009 1.00 0.00 H new ATOM 0 HE22 GLN A 74 26.367 -30.170 0.760 1.00 0.00 H new ATOM 1225 N THR A 75 20.397 -29.441 3.660 1.00 0.00 N ATOM 1226 CA THR A 75 19.951 -30.617 4.446 1.00 0.00 C ATOM 1227 C THR A 75 18.777 -30.280 5.406 1.00 0.00 C ATOM 1228 O THR A 75 18.084 -31.202 5.850 1.00 0.00 O ATOM 1229 CB THR A 75 21.150 -31.277 5.221 1.00 0.00 C ATOM 1230 OG1 THR A 75 20.734 -32.492 5.866 1.00 0.00 O ATOM 1231 CG2 THR A 75 21.779 -30.341 6.266 1.00 0.00 C ATOM 0 H THR A 75 20.720 -28.661 4.233 1.00 0.00 H new ATOM 0 HA THR A 75 19.572 -31.345 3.729 1.00 0.00 H new ATOM 0 HB THR A 75 21.909 -31.493 4.470 1.00 0.00 H new ATOM 0 HG1 THR A 75 19.771 -32.456 6.042 1.00 0.00 H new ATOM 0 HG21 THR A 75 22.600 -30.854 6.767 1.00 0.00 H new ATOM 0 HG22 THR A 75 22.157 -29.446 5.772 1.00 0.00 H new ATOM 0 HG23 THR A 75 21.026 -30.058 7.001 1.00 0.00 H new ATOM 1239 N LEU A 76 18.553 -28.984 5.749 1.00 0.00 N ATOM 1240 CA LEU A 76 17.362 -28.581 6.555 1.00 0.00 C ATOM 1241 C LEU A 76 16.161 -28.251 5.652 1.00 0.00 C ATOM 1242 O LEU A 76 16.273 -28.261 4.419 1.00 0.00 O ATOM 1243 CB LEU A 76 17.690 -27.412 7.558 1.00 0.00 C ATOM 1244 CG LEU A 76 18.362 -26.088 7.030 1.00 0.00 C ATOM 1245 CD1 LEU A 76 17.480 -25.289 6.066 1.00 0.00 C ATOM 1246 CD2 LEU A 76 18.821 -25.194 8.201 1.00 0.00 C ATOM 0 H LEU A 76 19.166 -28.212 5.488 1.00 0.00 H new ATOM 0 HA LEU A 76 17.081 -29.439 7.166 1.00 0.00 H new ATOM 0 HB2 LEU A 76 16.756 -27.130 8.044 1.00 0.00 H new ATOM 0 HB3 LEU A 76 18.341 -27.821 8.331 1.00 0.00 H new ATOM 0 HG LEU A 76 19.232 -26.410 6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 76 18.010 -24.392 5.746 1.00 0.00 H new ATOM 0 HD12 LEU A 76 17.245 -25.901 5.196 1.00 0.00 H new ATOM 0 HD13 LEU A 76 16.556 -25.004 6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 76 19.281 -24.287 7.808 1.00 0.00 H new ATOM 0 HD22 LEU A 76 17.960 -24.928 8.814 1.00 0.00 H new ATOM 0 HD23 LEU A 76 19.546 -25.735 8.809 1.00 0.00 H new ATOM 1258 N SER A 77 15.013 -27.951 6.287 1.00 0.00 N ATOM 1259 CA SER A 77 13.775 -27.583 5.578 1.00 0.00 C ATOM 1260 C SER A 77 13.751 -26.079 5.253 1.00 0.00 C ATOM 1261 O SER A 77 14.422 -25.281 5.913 1.00 0.00 O ATOM 1262 CB SER A 77 12.545 -27.957 6.440 1.00 0.00 C ATOM 1263 OG SER A 77 12.562 -27.288 7.691 1.00 0.00 O ATOM 0 H SER A 77 14.918 -27.957 7.303 1.00 0.00 H new ATOM 0 HA SER A 77 13.741 -28.135 4.639 1.00 0.00 H new ATOM 0 HB2 SER A 77 11.632 -27.702 5.902 1.00 0.00 H new ATOM 0 HB3 SER A 77 12.528 -29.035 6.603 1.00 0.00 H new ATOM 0 HG SER A 77 13.256 -27.679 8.262 1.00 0.00 H new ATOM 1269 N ASP A 78 12.926 -25.696 4.263 1.00 0.00 N ATOM 1270 CA ASP A 78 12.736 -24.283 3.860 1.00 0.00 C ATOM 1271 C ASP A 78 12.156 -23.434 5.006 1.00 0.00 C ATOM 1272 O ASP A 78 12.300 -22.211 5.009 1.00 0.00 O ATOM 1273 CB ASP A 78 11.835 -24.201 2.600 1.00 0.00 C ATOM 1274 CG ASP A 78 12.449 -24.900 1.365 1.00 0.00 C ATOM 1275 OD1 ASP A 78 13.583 -24.538 0.969 1.00 0.00 O ATOM 1276 OD2 ASP A 78 11.800 -25.787 0.765 1.00 0.00 O ATOM 0 H ASP A 78 12.370 -26.354 3.717 1.00 0.00 H new ATOM 0 HA ASP A 78 13.716 -23.870 3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 78 10.869 -24.653 2.822 1.00 0.00 H new ATOM 0 HB3 ASP A 78 11.649 -23.154 2.362 1.00 0.00 H new ATOM 1281 N ASP A 79 11.527 -24.105 5.985 1.00 0.00 N ATOM 1282 CA ASP A 79 10.997 -23.454 7.193 1.00 0.00 C ATOM 1283 C ASP A 79 12.133 -22.974 8.117 1.00 0.00 C ATOM 1284 O ASP A 79 12.043 -21.900 8.712 1.00 0.00 O ATOM 1285 CB ASP A 79 10.045 -24.408 7.946 1.00 0.00 C ATOM 1286 CG ASP A 79 9.335 -23.743 9.143 1.00 0.00 C ATOM 1287 OD1 ASP A 79 8.344 -23.014 8.914 1.00 0.00 O ATOM 1288 OD2 ASP A 79 9.766 -23.940 10.301 1.00 0.00 O ATOM 0 H ASP A 79 11.372 -25.113 5.961 1.00 0.00 H new ATOM 0 HA ASP A 79 10.433 -22.575 6.881 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.295 -24.784 7.251 1.00 0.00 H new ATOM 0 HB3 ASP A 79 10.611 -25.269 8.301 1.00 0.00 H new ATOM 1293 N GLU A 80 13.203 -23.774 8.211 1.00 0.00 N ATOM 1294 CA GLU A 80 14.388 -23.438 9.027 1.00 0.00 C ATOM 1295 C GLU A 80 15.218 -22.323 8.360 1.00 0.00 C ATOM 1296 O GLU A 80 15.878 -21.523 9.046 1.00 0.00 O ATOM 1297 CB GLU A 80 15.215 -24.720 9.286 1.00 0.00 C ATOM 1298 CG GLU A 80 14.416 -25.809 10.036 1.00 0.00 C ATOM 1299 CD GLU A 80 15.184 -27.121 10.229 1.00 0.00 C ATOM 1300 OE1 GLU A 80 16.028 -27.196 11.150 1.00 0.00 O ATOM 1301 OE2 GLU A 80 14.965 -28.076 9.449 1.00 0.00 O ATOM 0 H GLU A 80 13.277 -24.669 7.728 1.00 0.00 H new ATOM 0 HA GLU A 80 14.068 -23.045 9.992 1.00 0.00 H new ATOM 0 HB2 GLU A 80 15.561 -25.122 8.334 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.102 -24.463 9.865 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.124 -25.423 11.013 1.00 0.00 H new ATOM 0 HG3 GLU A 80 13.497 -26.015 9.487 1.00 0.00 H new ATOM 1308 N LYS A 81 15.138 -22.257 7.018 1.00 0.00 N ATOM 1309 CA LYS A 81 15.665 -21.125 6.237 1.00 0.00 C ATOM 1310 C LYS A 81 14.903 -19.826 6.602 1.00 0.00 C ATOM 1311 O LYS A 81 15.521 -18.779 6.824 1.00 0.00 O ATOM 1312 CB LYS A 81 15.529 -21.397 4.720 1.00 0.00 C ATOM 1313 CG LYS A 81 16.340 -22.584 4.180 1.00 0.00 C ATOM 1314 CD LYS A 81 16.146 -22.796 2.663 1.00 0.00 C ATOM 1315 CE LYS A 81 16.902 -24.024 2.133 1.00 0.00 C ATOM 1316 NZ LYS A 81 16.606 -24.285 0.699 1.00 0.00 N ATOM 0 H LYS A 81 14.708 -22.985 6.447 1.00 0.00 H new ATOM 0 HA LYS A 81 16.721 -21.005 6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.476 -21.567 4.493 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.831 -20.499 4.180 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.398 -22.421 4.388 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.047 -23.490 4.710 1.00 0.00 H new ATOM 0 HD2 LYS A 81 15.083 -22.909 2.449 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.486 -21.908 2.130 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.974 -23.872 2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.632 -24.899 2.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 17.096 -25.151 0.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.581 -24.405 0.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 16.934 -23.482 0.125 1.00 0.00 H new ATOM 1330 N LEU A 82 13.553 -19.937 6.676 1.00 0.00 N ATOM 1331 CA LEU A 82 12.661 -18.834 7.108 1.00 0.00 C ATOM 1332 C LEU A 82 13.058 -18.316 8.499 1.00 0.00 C ATOM 1333 O LEU A 82 13.082 -17.108 8.726 1.00 0.00 O ATOM 1334 CB LEU A 82 11.181 -19.304 7.151 1.00 0.00 C ATOM 1335 CG LEU A 82 10.518 -19.661 5.786 1.00 0.00 C ATOM 1336 CD1 LEU A 82 9.203 -20.439 5.974 1.00 0.00 C ATOM 1337 CD2 LEU A 82 10.268 -18.403 4.953 1.00 0.00 C ATOM 0 H LEU A 82 13.053 -20.794 6.438 1.00 0.00 H new ATOM 0 HA LEU A 82 12.766 -18.029 6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.121 -20.180 7.797 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.589 -18.519 7.622 1.00 0.00 H new ATOM 0 HG LEU A 82 11.217 -20.305 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 82 8.773 -20.668 4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 82 9.403 -21.367 6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.501 -19.833 6.547 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.805 -18.680 4.006 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.605 -17.731 5.498 1.00 0.00 H new ATOM 0 HD23 LEU A 82 11.216 -17.900 4.760 1.00 0.00 H new ATOM 1349 N GLU A 83 13.372 -19.261 9.412 1.00 0.00 N ATOM 1350 CA GLU A 83 13.796 -18.946 10.787 1.00 0.00 C ATOM 1351 C GLU A 83 15.065 -18.076 10.788 1.00 0.00 C ATOM 1352 O GLU A 83 15.091 -17.033 11.432 1.00 0.00 O ATOM 1353 CB GLU A 83 14.056 -20.227 11.618 1.00 0.00 C ATOM 1354 CG GLU A 83 12.864 -21.190 11.733 1.00 0.00 C ATOM 1355 CD GLU A 83 13.111 -22.311 12.751 1.00 0.00 C ATOM 1356 OE1 GLU A 83 13.848 -23.267 12.432 1.00 0.00 O ATOM 1357 OE2 GLU A 83 12.609 -22.219 13.893 1.00 0.00 O ATOM 0 H GLU A 83 13.338 -20.261 9.213 1.00 0.00 H new ATOM 0 HA GLU A 83 12.977 -18.394 11.248 1.00 0.00 H new ATOM 0 HB2 GLU A 83 14.894 -20.764 11.174 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.362 -19.933 12.622 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.975 -20.630 12.023 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.660 -21.629 10.756 1.00 0.00 H new ATOM 1364 N LEU A 84 16.096 -18.521 10.041 1.00 0.00 N ATOM 1365 CA LEU A 84 17.390 -17.798 9.917 1.00 0.00 C ATOM 1366 C LEU A 84 17.196 -16.354 9.404 1.00 0.00 C ATOM 1367 O LEU A 84 17.781 -15.399 9.947 1.00 0.00 O ATOM 1368 CB LEU A 84 18.332 -18.580 8.967 1.00 0.00 C ATOM 1369 CG LEU A 84 18.829 -19.964 9.495 1.00 0.00 C ATOM 1370 CD1 LEU A 84 19.469 -20.798 8.370 1.00 0.00 C ATOM 1371 CD2 LEU A 84 19.814 -19.792 10.677 1.00 0.00 C ATOM 0 H LEU A 84 16.061 -19.389 9.506 1.00 0.00 H new ATOM 0 HA LEU A 84 17.836 -17.734 10.909 1.00 0.00 H new ATOM 0 HB2 LEU A 84 17.815 -18.737 8.021 1.00 0.00 H new ATOM 0 HB3 LEU A 84 19.202 -17.959 8.755 1.00 0.00 H new ATOM 0 HG LEU A 84 17.956 -20.506 9.858 1.00 0.00 H new ATOM 0 HD11 LEU A 84 19.804 -21.754 8.772 1.00 0.00 H new ATOM 0 HD12 LEU A 84 18.735 -20.972 7.583 1.00 0.00 H new ATOM 0 HD13 LEU A 84 20.322 -20.259 7.958 1.00 0.00 H new ATOM 0 HD21 LEU A 84 20.142 -20.772 11.023 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.678 -19.215 10.349 1.00 0.00 H new ATOM 0 HD23 LEU A 84 19.316 -19.268 11.493 1.00 0.00 H new ATOM 1383 N LEU A 85 16.347 -16.217 8.376 1.00 0.00 N ATOM 1384 CA LEU A 85 16.001 -14.915 7.783 1.00 0.00 C ATOM 1385 C LEU A 85 15.278 -14.004 8.807 1.00 0.00 C ATOM 1386 O LEU A 85 15.559 -12.807 8.887 1.00 0.00 O ATOM 1387 CB LEU A 85 15.099 -15.122 6.538 1.00 0.00 C ATOM 1388 CG LEU A 85 15.747 -15.870 5.332 1.00 0.00 C ATOM 1389 CD1 LEU A 85 14.716 -16.113 4.211 1.00 0.00 C ATOM 1390 CD2 LEU A 85 16.987 -15.117 4.790 1.00 0.00 C ATOM 0 H LEU A 85 15.879 -17.006 7.931 1.00 0.00 H new ATOM 0 HA LEU A 85 16.928 -14.425 7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.212 -15.675 6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.762 -14.144 6.193 1.00 0.00 H new ATOM 0 HG LEU A 85 16.087 -16.839 5.696 1.00 0.00 H new ATOM 0 HD11 LEU A 85 15.195 -16.636 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.895 -16.718 4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 85 14.328 -15.157 3.860 1.00 0.00 H new ATOM 0 HD21 LEU A 85 17.410 -15.669 3.951 1.00 0.00 H new ATOM 0 HD22 LEU A 85 16.692 -14.122 4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 85 17.733 -15.029 5.580 1.00 0.00 H new ATOM 1402 N SER A 86 14.351 -14.597 9.581 1.00 0.00 N ATOM 1403 CA SER A 86 13.570 -13.879 10.607 1.00 0.00 C ATOM 1404 C SER A 86 14.450 -13.490 11.812 1.00 0.00 C ATOM 1405 O SER A 86 14.191 -12.489 12.489 1.00 0.00 O ATOM 1406 CB SER A 86 12.391 -14.764 11.073 1.00 0.00 C ATOM 1407 OG SER A 86 11.548 -15.117 9.989 1.00 0.00 O ATOM 0 H SER A 86 14.121 -15.589 9.513 1.00 0.00 H new ATOM 0 HA SER A 86 13.186 -12.960 10.165 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.777 -15.668 11.545 1.00 0.00 H new ATOM 0 HB3 SER A 86 11.812 -14.233 11.828 1.00 0.00 H new ATOM 0 HG SER A 86 11.970 -15.830 9.465 1.00 0.00 H new ATOM 1413 N SER A 87 15.502 -14.292 12.054 1.00 0.00 N ATOM 1414 CA SER A 87 16.438 -14.085 13.167 1.00 0.00 C ATOM 1415 C SER A 87 17.453 -12.979 12.845 1.00 0.00 C ATOM 1416 O SER A 87 17.910 -12.266 13.751 1.00 0.00 O ATOM 1417 CB SER A 87 17.160 -15.407 13.502 1.00 0.00 C ATOM 1418 OG SER A 87 16.236 -16.403 13.916 1.00 0.00 O ATOM 0 H SER A 87 15.725 -15.104 11.479 1.00 0.00 H new ATOM 0 HA SER A 87 15.867 -13.763 14.038 1.00 0.00 H new ATOM 0 HB2 SER A 87 17.709 -15.757 12.628 1.00 0.00 H new ATOM 0 HB3 SER A 87 17.892 -15.235 14.291 1.00 0.00 H new ATOM 0 HG SER A 87 15.740 -16.733 13.138 1.00 0.00 H new ATOM 1424 N ASP A 88 17.796 -12.834 11.552 1.00 0.00 N ATOM 1425 CA ASP A 88 18.779 -11.834 11.105 1.00 0.00 C ATOM 1426 C ASP A 88 18.348 -11.231 9.755 1.00 0.00 C ATOM 1427 O ASP A 88 18.271 -11.942 8.748 1.00 0.00 O ATOM 1428 CB ASP A 88 20.190 -12.491 10.987 1.00 0.00 C ATOM 1429 CG ASP A 88 21.376 -11.507 11.049 1.00 0.00 C ATOM 1430 OD1 ASP A 88 21.202 -10.306 10.759 1.00 0.00 O ATOM 1431 OD2 ASP A 88 22.496 -11.933 11.404 1.00 0.00 O ATOM 0 H ASP A 88 17.405 -13.399 10.798 1.00 0.00 H new ATOM 0 HA ASP A 88 18.829 -11.031 11.840 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.302 -13.222 11.788 1.00 0.00 H new ATOM 0 HB3 ASP A 88 20.241 -13.039 10.046 1.00 0.00 H new ATOM 1436 N GLY A 89 18.084 -9.911 9.749 1.00 0.00 N ATOM 1437 CA GLY A 89 17.732 -9.182 8.529 1.00 0.00 C ATOM 1438 C GLY A 89 18.936 -8.884 7.648 1.00 0.00 C ATOM 1439 O GLY A 89 18.779 -8.557 6.471 1.00 0.00 O ATOM 0 H GLY A 89 18.110 -9.329 10.586 1.00 0.00 H new ATOM 0 HA2 GLY A 89 17.007 -9.765 7.960 1.00 0.00 H new ATOM 0 HA3 GLY A 89 17.245 -8.245 8.800 1.00 0.00 H new ATOM 1443 N MET A 90 20.147 -8.976 8.227 1.00 0.00 N ATOM 1444 CA MET A 90 21.405 -8.851 7.469 1.00 0.00 C ATOM 1445 C MET A 90 21.683 -10.154 6.694 1.00 0.00 C ATOM 1446 O MET A 90 22.446 -10.150 5.719 1.00 0.00 O ATOM 1447 CB MET A 90 22.586 -8.512 8.414 1.00 0.00 C ATOM 1448 CG MET A 90 22.474 -7.193 9.202 1.00 0.00 C ATOM 1449 SD MET A 90 22.730 -5.698 8.199 1.00 0.00 S ATOM 1450 CE MET A 90 21.105 -5.369 7.521 1.00 0.00 C ATOM 0 H MET A 90 20.281 -9.138 9.225 1.00 0.00 H new ATOM 0 HA MET A 90 21.303 -8.033 6.755 1.00 0.00 H new ATOM 0 HB2 MET A 90 22.698 -9.328 9.128 1.00 0.00 H new ATOM 0 HB3 MET A 90 23.500 -8.479 7.821 1.00 0.00 H new ATOM 0 HG2 MET A 90 21.488 -7.142 9.664 1.00 0.00 H new ATOM 0 HG3 MET A 90 23.205 -7.203 10.011 1.00 0.00 H new ATOM 0 HE1 MET A 90 21.207 -4.930 6.528 1.00 0.00 H new ATOM 0 HE2 MET A 90 20.545 -6.301 7.450 1.00 0.00 H new ATOM 0 HE3 MET A 90 20.573 -4.675 8.172 1.00 0.00 H new ATOM 1460 N LEU A 91 21.075 -11.268 7.169 1.00 0.00 N ATOM 1461 CA LEU A 91 21.071 -12.558 6.450 1.00 0.00 C ATOM 1462 C LEU A 91 20.173 -12.488 5.215 1.00 0.00 C ATOM 1463 O LEU A 91 20.479 -13.099 4.178 1.00 0.00 O ATOM 1464 CB LEU A 91 20.640 -13.727 7.397 1.00 0.00 C ATOM 1465 CG LEU A 91 21.794 -14.377 8.213 1.00 0.00 C ATOM 1466 CD1 LEU A 91 21.294 -15.569 9.073 1.00 0.00 C ATOM 1467 CD2 LEU A 91 22.933 -14.801 7.264 1.00 0.00 C ATOM 0 H LEU A 91 20.576 -11.294 8.058 1.00 0.00 H new ATOM 0 HA LEU A 91 22.088 -12.762 6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 91 19.890 -13.352 8.094 1.00 0.00 H new ATOM 0 HB3 LEU A 91 20.159 -14.500 6.798 1.00 0.00 H new ATOM 0 HG LEU A 91 22.181 -13.634 8.910 1.00 0.00 H new ATOM 0 HD11 LEU A 91 22.131 -15.994 9.627 1.00 0.00 H new ATOM 0 HD12 LEU A 91 20.536 -15.219 9.773 1.00 0.00 H new ATOM 0 HD13 LEU A 91 20.864 -16.331 8.423 1.00 0.00 H new ATOM 0 HD21 LEU A 91 23.738 -15.255 7.842 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.554 -15.522 6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 91 23.314 -13.925 6.738 1.00 0.00 H new ATOM 1479 N VAL A 92 19.072 -11.735 5.339 1.00 0.00 N ATOM 1480 CA VAL A 92 18.184 -11.453 4.203 1.00 0.00 C ATOM 1481 C VAL A 92 18.853 -10.413 3.290 1.00 0.00 C ATOM 1482 O VAL A 92 19.741 -9.663 3.728 1.00 0.00 O ATOM 1483 CB VAL A 92 16.756 -10.925 4.643 1.00 0.00 C ATOM 1484 CG1 VAL A 92 15.717 -11.086 3.498 1.00 0.00 C ATOM 1485 CG2 VAL A 92 16.258 -11.605 5.930 1.00 0.00 C ATOM 0 H VAL A 92 18.774 -11.309 6.217 1.00 0.00 H new ATOM 0 HA VAL A 92 18.024 -12.394 3.677 1.00 0.00 H new ATOM 0 HB VAL A 92 16.866 -9.862 4.858 1.00 0.00 H new ATOM 0 HG11 VAL A 92 14.748 -10.715 3.831 1.00 0.00 H new ATOM 0 HG12 VAL A 92 16.044 -10.517 2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 92 15.630 -12.139 3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 92 15.276 -11.212 6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 92 16.187 -12.681 5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 92 16.958 -11.405 6.741 1.00 0.00 H new ATOM 1495 N LYS A 93 18.434 -10.381 2.019 1.00 0.00 N ATOM 1496 CA LYS A 93 18.842 -9.340 1.084 1.00 0.00 C ATOM 1497 C LYS A 93 18.322 -7.996 1.588 1.00 0.00 C ATOM 1498 O LYS A 93 17.102 -7.805 1.706 1.00 0.00 O ATOM 1499 CB LYS A 93 18.290 -9.607 -0.331 1.00 0.00 C ATOM 1500 CG LYS A 93 18.851 -10.855 -1.034 1.00 0.00 C ATOM 1501 CD LYS A 93 20.361 -10.738 -1.398 1.00 0.00 C ATOM 1502 CE LYS A 93 20.668 -11.310 -2.796 1.00 0.00 C ATOM 1503 NZ LYS A 93 20.053 -12.642 -3.011 1.00 0.00 N ATOM 0 H LYS A 93 17.805 -11.076 1.617 1.00 0.00 H new ATOM 0 HA LYS A 93 19.930 -9.332 1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 93 17.206 -9.703 -0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 93 18.497 -8.736 -0.953 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.707 -11.721 -0.388 1.00 0.00 H new ATOM 0 HG3 LYS A 93 18.279 -11.037 -1.944 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.662 -9.691 -1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 93 20.955 -11.267 -0.652 1.00 0.00 H new ATOM 0 HE2 LYS A 93 20.305 -10.618 -3.556 1.00 0.00 H new ATOM 0 HE3 LYS A 93 21.748 -11.387 -2.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 20.289 -12.983 -3.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 20.418 -13.311 -2.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.020 -12.567 -2.915 1.00 0.00 H new ATOM 1517 N ARG A 94 19.263 -7.112 1.929 1.00 0.00 N ATOM 1518 CA ARG A 94 18.969 -5.739 2.340 1.00 0.00 C ATOM 1519 C ARG A 94 18.097 -5.021 1.277 1.00 0.00 C ATOM 1520 O ARG A 94 17.041 -4.534 1.643 1.00 0.00 O ATOM 1521 CB ARG A 94 20.292 -4.989 2.668 1.00 0.00 C ATOM 1522 CG ARG A 94 21.051 -5.585 3.882 1.00 0.00 C ATOM 1523 CD ARG A 94 22.519 -5.138 3.959 1.00 0.00 C ATOM 1524 NE ARG A 94 22.675 -3.674 3.877 1.00 0.00 N ATOM 1525 CZ ARG A 94 23.797 -3.044 3.506 1.00 0.00 C ATOM 1526 NH1 ARG A 94 24.916 -3.719 3.277 1.00 0.00 N ATOM 1527 NH2 ARG A 94 23.810 -1.732 3.402 1.00 0.00 N ATOM 0 H ARG A 94 20.259 -7.332 1.927 1.00 0.00 H new ATOM 0 HA ARG A 94 18.377 -5.747 3.255 1.00 0.00 H new ATOM 0 HB2 ARG A 94 20.942 -5.015 1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 94 20.068 -3.941 2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 94 20.541 -5.293 4.800 1.00 0.00 H new ATOM 0 HG3 ARG A 94 21.012 -6.673 3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 94 22.954 -5.493 4.893 1.00 0.00 H new ATOM 0 HD3 ARG A 94 23.079 -5.605 3.149 1.00 0.00 H new ATOM 0 HE ARG A 94 21.869 -3.099 4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 94 24.930 -4.733 3.383 1.00 0.00 H new ATOM 0 HH12 ARG A 94 25.762 -3.224 2.995 1.00 0.00 H new ATOM 0 HH21 ARG A 94 22.966 -1.196 3.604 1.00 0.00 H new ATOM 0 HH22 ARG A 94 24.664 -1.251 3.120 1.00 0.00 H new ATOM 1541 N PRO A 95 18.475 -4.981 -0.058 1.00 0.00 N ATOM 1542 CA PRO A 95 17.550 -4.498 -1.098 1.00 0.00 C ATOM 1543 C PRO A 95 16.567 -5.617 -1.543 1.00 0.00 C ATOM 1544 O PRO A 95 16.958 -6.592 -2.200 1.00 0.00 O ATOM 1545 CB PRO A 95 18.497 -4.037 -2.233 1.00 0.00 C ATOM 1546 CG PRO A 95 19.728 -4.895 -2.098 1.00 0.00 C ATOM 1547 CD PRO A 95 19.794 -5.361 -0.651 1.00 0.00 C ATOM 0 HA PRO A 95 16.898 -3.692 -0.761 1.00 0.00 H new ATOM 0 HB2 PRO A 95 18.032 -4.167 -3.210 1.00 0.00 H new ATOM 0 HB3 PRO A 95 18.742 -2.979 -2.135 1.00 0.00 H new ATOM 0 HG2 PRO A 95 19.679 -5.748 -2.775 1.00 0.00 H new ATOM 0 HG3 PRO A 95 20.622 -4.330 -2.362 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.958 -6.437 -0.591 1.00 0.00 H new ATOM 0 HD3 PRO A 95 20.617 -4.883 -0.120 1.00 0.00 H new ATOM 1555 N LEU A 96 15.312 -5.488 -1.098 1.00 0.00 N ATOM 1556 CA LEU A 96 14.182 -6.350 -1.514 1.00 0.00 C ATOM 1557 C LEU A 96 12.951 -5.450 -1.693 1.00 0.00 C ATOM 1558 O LEU A 96 12.837 -4.415 -1.040 1.00 0.00 O ATOM 1559 CB LEU A 96 13.951 -7.505 -0.465 1.00 0.00 C ATOM 1560 CG LEU A 96 12.653 -8.412 -0.620 1.00 0.00 C ATOM 1561 CD1 LEU A 96 12.884 -9.867 -0.125 1.00 0.00 C ATOM 1562 CD2 LEU A 96 11.424 -7.823 0.106 1.00 0.00 C ATOM 0 H LEU A 96 15.040 -4.770 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 96 14.393 -6.848 -2.461 1.00 0.00 H new ATOM 0 HB2 LEU A 96 14.821 -8.161 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.926 -7.054 0.527 1.00 0.00 H new ATOM 0 HG LEU A 96 12.449 -8.430 -1.691 1.00 0.00 H new ATOM 0 HD11 LEU A 96 11.968 -10.444 -0.252 1.00 0.00 H new ATOM 0 HD12 LEU A 96 13.686 -10.325 -0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 96 13.160 -9.853 0.929 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.568 -8.483 -0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 96 11.640 -7.729 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.195 -6.840 -0.305 1.00 0.00 H new ATOM 1574 N ALA A 97 12.054 -5.832 -2.608 1.00 0.00 N ATOM 1575 CA ALA A 97 10.805 -5.114 -2.863 1.00 0.00 C ATOM 1576 C ALA A 97 9.697 -6.138 -3.123 1.00 0.00 C ATOM 1577 O ALA A 97 9.718 -6.793 -4.150 1.00 0.00 O ATOM 1578 CB ALA A 97 10.993 -4.162 -4.057 1.00 0.00 C ATOM 0 H ALA A 97 12.177 -6.656 -3.197 1.00 0.00 H new ATOM 0 HA ALA A 97 10.523 -4.510 -2.001 1.00 0.00 H new ATOM 0 HB1 ALA A 97 10.062 -3.628 -4.246 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.783 -3.446 -3.831 1.00 0.00 H new ATOM 0 HB3 ALA A 97 11.267 -4.737 -4.941 1.00 0.00 H new ATOM 1584 N VAL A 98 8.751 -6.301 -2.177 1.00 0.00 N ATOM 1585 CA VAL A 98 7.658 -7.304 -2.298 1.00 0.00 C ATOM 1586 C VAL A 98 6.277 -6.619 -2.255 1.00 0.00 C ATOM 1587 O VAL A 98 6.074 -5.680 -1.489 1.00 0.00 O ATOM 1588 CB VAL A 98 7.765 -8.420 -1.187 1.00 0.00 C ATOM 1589 CG1 VAL A 98 7.616 -7.852 0.249 1.00 0.00 C ATOM 1590 CG2 VAL A 98 6.756 -9.566 -1.446 1.00 0.00 C ATOM 0 H VAL A 98 8.716 -5.753 -1.317 1.00 0.00 H new ATOM 0 HA VAL A 98 7.769 -7.793 -3.266 1.00 0.00 H new ATOM 0 HB VAL A 98 8.772 -8.832 -1.254 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.698 -8.664 0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 98 8.403 -7.120 0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 98 6.643 -7.372 0.351 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.853 -10.320 -0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 98 5.742 -9.166 -1.441 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.962 -10.020 -2.415 1.00 0.00 H new ATOM 1600 N MET A 99 5.344 -7.098 -3.095 1.00 0.00 N ATOM 1601 CA MET A 99 4.011 -6.505 -3.253 1.00 0.00 C ATOM 1602 C MET A 99 3.008 -7.593 -3.671 1.00 0.00 C ATOM 1603 O MET A 99 2.779 -7.820 -4.868 1.00 0.00 O ATOM 1604 CB MET A 99 4.092 -5.370 -4.298 1.00 0.00 C ATOM 1605 CG MET A 99 2.867 -4.441 -4.376 1.00 0.00 C ATOM 1606 SD MET A 99 1.588 -5.046 -5.505 1.00 0.00 S ATOM 1607 CE MET A 99 2.449 -4.962 -7.079 1.00 0.00 C ATOM 0 H MET A 99 5.498 -7.914 -3.687 1.00 0.00 H new ATOM 0 HA MET A 99 3.665 -6.082 -2.310 1.00 0.00 H new ATOM 0 HB2 MET A 99 4.971 -4.763 -4.080 1.00 0.00 H new ATOM 0 HB3 MET A 99 4.249 -5.817 -5.280 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.440 -4.328 -3.380 1.00 0.00 H new ATOM 0 HG3 MET A 99 3.189 -3.451 -4.699 1.00 0.00 H new ATOM 0 HE1 MET A 99 1.859 -4.378 -7.786 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.420 -4.487 -6.938 1.00 0.00 H new ATOM 0 HE3 MET A 99 2.591 -5.969 -7.470 1.00 0.00 H new ATOM 1617 N GLY A 100 2.461 -8.300 -2.665 1.00 0.00 N ATOM 1618 CA GLY A 100 1.449 -9.334 -2.884 1.00 0.00 C ATOM 1619 C GLY A 100 1.969 -10.527 -3.684 1.00 0.00 C ATOM 1620 O GLY A 100 2.615 -11.415 -3.126 1.00 0.00 O ATOM 0 H GLY A 100 2.711 -8.167 -1.685 1.00 0.00 H new ATOM 0 HA2 GLY A 100 1.082 -9.684 -1.919 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.599 -8.896 -3.408 1.00 0.00 H new ATOM 1624 N ASP A 101 1.711 -10.513 -5.006 1.00 0.00 N ATOM 1625 CA ASP A 101 2.087 -11.606 -5.934 1.00 0.00 C ATOM 1626 C ASP A 101 3.338 -11.247 -6.761 1.00 0.00 C ATOM 1627 O ASP A 101 3.790 -12.045 -7.594 1.00 0.00 O ATOM 1628 CB ASP A 101 0.900 -11.937 -6.887 1.00 0.00 C ATOM 1629 CG ASP A 101 0.613 -10.843 -7.948 1.00 0.00 C ATOM 1630 OD1 ASP A 101 0.407 -9.662 -7.578 1.00 0.00 O ATOM 1631 OD2 ASP A 101 0.604 -11.155 -9.151 1.00 0.00 O ATOM 0 H ASP A 101 1.233 -9.739 -5.467 1.00 0.00 H new ATOM 0 HA ASP A 101 2.323 -12.482 -5.330 1.00 0.00 H new ATOM 0 HB2 ASP A 101 1.110 -12.877 -7.398 1.00 0.00 H new ATOM 0 HB3 ASP A 101 0.002 -12.093 -6.290 1.00 0.00 H new ATOM 1636 N LYS A 102 3.893 -10.052 -6.522 1.00 0.00 N ATOM 1637 CA LYS A 102 5.048 -9.520 -7.265 1.00 0.00 C ATOM 1638 C LYS A 102 6.224 -9.287 -6.301 1.00 0.00 C ATOM 1639 O LYS A 102 5.998 -8.992 -5.133 1.00 0.00 O ATOM 1640 CB LYS A 102 4.643 -8.191 -7.941 1.00 0.00 C ATOM 1641 CG LYS A 102 3.582 -8.309 -9.052 1.00 0.00 C ATOM 1642 CD LYS A 102 4.040 -9.211 -10.221 1.00 0.00 C ATOM 1643 CE LYS A 102 3.105 -9.131 -11.435 1.00 0.00 C ATOM 1644 NZ LYS A 102 1.693 -9.430 -11.087 1.00 0.00 N ATOM 0 H LYS A 102 3.551 -9.418 -5.800 1.00 0.00 H new ATOM 0 HA LYS A 102 5.358 -10.235 -8.027 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.267 -7.513 -7.174 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.537 -7.731 -8.363 1.00 0.00 H new ATOM 0 HG2 LYS A 102 2.661 -8.710 -8.628 1.00 0.00 H new ATOM 0 HG3 LYS A 102 3.350 -7.315 -9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.047 -8.923 -10.524 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.094 -10.244 -9.877 1.00 0.00 H new ATOM 0 HE2 LYS A 102 3.165 -8.134 -11.870 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.444 -9.832 -12.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 1.212 -9.841 -11.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 1.666 -10.107 -10.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 1.211 -8.552 -10.807 1.00 0.00 H new ATOM 1658 N ILE A 103 7.478 -9.427 -6.791 1.00 0.00 N ATOM 1659 CA ILE A 103 8.684 -9.211 -5.957 1.00 0.00 C ATOM 1660 C ILE A 103 9.949 -9.036 -6.839 1.00 0.00 C ATOM 1661 O ILE A 103 10.052 -9.625 -7.922 1.00 0.00 O ATOM 1662 CB ILE A 103 8.893 -10.399 -4.933 1.00 0.00 C ATOM 1663 CG1 ILE A 103 10.028 -10.093 -3.894 1.00 0.00 C ATOM 1664 CG2 ILE A 103 9.160 -11.728 -5.677 1.00 0.00 C ATOM 1665 CD1 ILE A 103 10.162 -11.109 -2.766 1.00 0.00 C ATOM 0 H ILE A 103 7.681 -9.688 -7.756 1.00 0.00 H new ATOM 0 HA ILE A 103 8.528 -8.293 -5.390 1.00 0.00 H new ATOM 0 HB ILE A 103 7.967 -10.504 -4.368 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.979 -10.034 -4.424 1.00 0.00 H new ATOM 0 HG13 ILE A 103 9.845 -9.111 -3.458 1.00 0.00 H new ATOM 0 HG21 ILE A 103 9.300 -12.529 -4.952 1.00 0.00 H new ATOM 0 HG22 ILE A 103 8.310 -11.963 -6.318 1.00 0.00 H new ATOM 0 HG23 ILE A 103 10.058 -11.629 -6.287 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.972 -10.810 -2.101 1.00 0.00 H new ATOM 0 HD12 ILE A 103 9.229 -11.154 -2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 103 10.380 -12.091 -3.185 1.00 0.00 H new ATOM 1677 N THR A 104 10.898 -8.199 -6.373 1.00 0.00 N ATOM 1678 CA THR A 104 12.225 -8.009 -6.992 1.00 0.00 C ATOM 1679 C THR A 104 13.313 -8.035 -5.901 1.00 0.00 C ATOM 1680 O THR A 104 13.151 -7.411 -4.845 1.00 0.00 O ATOM 1681 CB THR A 104 12.313 -6.655 -7.781 1.00 0.00 C ATOM 1682 OG1 THR A 104 11.923 -5.553 -6.940 1.00 0.00 O ATOM 1683 CG2 THR A 104 11.439 -6.670 -9.042 1.00 0.00 C ATOM 0 H THR A 104 10.761 -7.626 -5.541 1.00 0.00 H new ATOM 0 HA THR A 104 12.380 -8.823 -7.701 1.00 0.00 H new ATOM 0 HB THR A 104 13.352 -6.531 -8.088 1.00 0.00 H new ATOM 0 HG1 THR A 104 12.557 -4.815 -7.053 1.00 0.00 H new ATOM 0 HG21 THR A 104 11.529 -5.714 -9.558 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.768 -7.472 -9.703 1.00 0.00 H new ATOM 0 HG23 THR A 104 10.399 -6.834 -8.762 1.00 0.00 H new ATOM 1691 N LEU A 105 14.407 -8.777 -6.159 1.00 0.00 N ATOM 1692 CA LEU A 105 15.565 -8.879 -5.233 1.00 0.00 C ATOM 1693 C LEU A 105 16.774 -8.115 -5.802 1.00 0.00 C ATOM 1694 O LEU A 105 16.998 -8.116 -7.024 1.00 0.00 O ATOM 1695 CB LEU A 105 15.925 -10.379 -4.959 1.00 0.00 C ATOM 1696 CG LEU A 105 15.175 -11.071 -3.777 1.00 0.00 C ATOM 1697 CD1 LEU A 105 15.529 -10.404 -2.446 1.00 0.00 C ATOM 1698 CD2 LEU A 105 13.649 -11.094 -3.991 1.00 0.00 C ATOM 0 H LEU A 105 14.519 -9.324 -7.013 1.00 0.00 H new ATOM 0 HA LEU A 105 15.290 -8.423 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 105 15.729 -10.948 -5.868 1.00 0.00 H new ATOM 0 HB3 LEU A 105 16.996 -10.443 -4.768 1.00 0.00 H new ATOM 0 HG LEU A 105 15.509 -12.108 -3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 105 14.995 -10.902 -1.636 1.00 0.00 H new ATOM 0 HD12 LEU A 105 16.603 -10.481 -2.275 1.00 0.00 H new ATOM 0 HD13 LEU A 105 15.241 -9.353 -2.478 1.00 0.00 H new ATOM 0 HD21 LEU A 105 13.170 -11.585 -3.144 1.00 0.00 H new ATOM 0 HD22 LEU A 105 13.278 -10.073 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 105 13.418 -11.641 -4.905 1.00 0.00 H new ATOM 1710 N GLY A 106 17.545 -7.483 -4.890 1.00 0.00 N ATOM 1711 CA GLY A 106 18.684 -6.643 -5.254 1.00 0.00 C ATOM 1712 C GLY A 106 18.268 -5.424 -6.068 1.00 0.00 C ATOM 1713 O GLY A 106 17.254 -4.784 -5.764 1.00 0.00 O ATOM 0 H GLY A 106 17.387 -7.547 -3.884 1.00 0.00 H new ATOM 0 HA2 GLY A 106 19.195 -6.315 -4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 106 19.399 -7.233 -5.827 1.00 0.00 H new ATOM 1717 N PHE A 107 19.064 -5.102 -7.094 1.00 0.00 N ATOM 1718 CA PHE A 107 18.670 -4.170 -8.153 1.00 0.00 C ATOM 1719 C PHE A 107 18.876 -4.876 -9.491 1.00 0.00 C ATOM 1720 O PHE A 107 19.958 -4.830 -10.085 1.00 0.00 O ATOM 1721 CB PHE A 107 19.449 -2.821 -8.091 1.00 0.00 C ATOM 1722 CG PHE A 107 19.013 -1.809 -9.166 1.00 0.00 C ATOM 1723 CD1 PHE A 107 17.765 -1.184 -9.094 1.00 0.00 C ATOM 1724 CD2 PHE A 107 19.840 -1.500 -10.247 1.00 0.00 C ATOM 1725 CE1 PHE A 107 17.362 -0.283 -10.068 1.00 0.00 C ATOM 1726 CE2 PHE A 107 19.436 -0.602 -11.216 1.00 0.00 C ATOM 1727 CZ PHE A 107 18.199 0.008 -11.127 1.00 0.00 C ATOM 0 H PHE A 107 20.003 -5.483 -7.212 1.00 0.00 H new ATOM 0 HA PHE A 107 17.622 -3.899 -8.021 1.00 0.00 H new ATOM 0 HB2 PHE A 107 19.310 -2.375 -7.106 1.00 0.00 H new ATOM 0 HB3 PHE A 107 20.515 -3.021 -8.203 1.00 0.00 H new ATOM 0 HD1 PHE A 107 17.105 -1.406 -8.268 1.00 0.00 H new ATOM 0 HD2 PHE A 107 20.809 -1.969 -10.327 1.00 0.00 H new ATOM 0 HE1 PHE A 107 16.394 0.191 -9.998 1.00 0.00 H new ATOM 0 HE2 PHE A 107 20.089 -0.376 -12.046 1.00 0.00 H new ATOM 0 HZ PHE A 107 17.887 0.711 -11.885 1.00 0.00 H new ATOM 1737 N LYS A 108 17.854 -5.626 -9.901 1.00 0.00 N ATOM 1738 CA LYS A 108 17.777 -6.203 -11.244 1.00 0.00 C ATOM 1739 C LYS A 108 16.752 -5.398 -12.028 1.00 0.00 C ATOM 1740 O LYS A 108 15.556 -5.669 -11.919 1.00 0.00 O ATOM 1741 CB LYS A 108 17.368 -7.693 -11.201 1.00 0.00 C ATOM 1742 CG LYS A 108 18.336 -8.605 -10.434 1.00 0.00 C ATOM 1743 CD LYS A 108 17.989 -10.090 -10.627 1.00 0.00 C ATOM 1744 CE LYS A 108 19.010 -11.015 -9.956 1.00 0.00 C ATOM 1745 NZ LYS A 108 20.375 -10.835 -10.519 1.00 0.00 N ATOM 0 H LYS A 108 17.054 -5.852 -9.310 1.00 0.00 H new ATOM 0 HA LYS A 108 18.757 -6.158 -11.719 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.380 -7.771 -10.746 1.00 0.00 H new ATOM 0 HB3 LYS A 108 17.278 -8.060 -12.223 1.00 0.00 H new ATOM 0 HG2 LYS A 108 19.355 -8.422 -10.774 1.00 0.00 H new ATOM 0 HG3 LYS A 108 18.305 -8.359 -9.373 1.00 0.00 H new ATOM 0 HD2 LYS A 108 16.999 -10.286 -10.216 1.00 0.00 H new ATOM 0 HD3 LYS A 108 17.943 -10.315 -11.693 1.00 0.00 H new ATOM 0 HE2 LYS A 108 19.030 -10.817 -8.884 1.00 0.00 H new ATOM 0 HE3 LYS A 108 18.699 -12.052 -10.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 20.977 -11.634 -10.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 20.320 -10.797 -11.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 20.784 -9.948 -10.161 1.00 0.00 H new ATOM 1759 N GLU A 109 17.225 -4.401 -12.790 1.00 0.00 N ATOM 1760 CA GLU A 109 16.358 -3.501 -13.577 1.00 0.00 C ATOM 1761 C GLU A 109 15.452 -4.293 -14.545 1.00 0.00 C ATOM 1762 O GLU A 109 14.339 -3.854 -14.855 1.00 0.00 O ATOM 1763 CB GLU A 109 17.223 -2.479 -14.351 1.00 0.00 C ATOM 1764 CG GLU A 109 16.424 -1.348 -15.035 1.00 0.00 C ATOM 1765 CD GLU A 109 17.301 -0.395 -15.858 1.00 0.00 C ATOM 1766 OE1 GLU A 109 18.131 0.334 -15.260 1.00 0.00 O ATOM 1767 OE2 GLU A 109 17.168 -0.356 -17.104 1.00 0.00 O ATOM 0 H GLU A 109 18.219 -4.193 -12.880 1.00 0.00 H new ATOM 0 HA GLU A 109 15.707 -2.965 -12.886 1.00 0.00 H new ATOM 0 HB2 GLU A 109 17.940 -2.034 -13.661 1.00 0.00 H new ATOM 0 HB3 GLU A 109 17.798 -3.010 -15.110 1.00 0.00 H new ATOM 0 HG2 GLU A 109 15.669 -1.789 -15.686 1.00 0.00 H new ATOM 0 HG3 GLU A 109 15.894 -0.776 -14.274 1.00 0.00 H new ATOM 1774 N ASP A 110 15.933 -5.488 -14.961 1.00 0.00 N ATOM 1775 CA ASP A 110 15.159 -6.421 -15.795 1.00 0.00 C ATOM 1776 C ASP A 110 13.909 -6.881 -15.039 1.00 0.00 C ATOM 1777 O ASP A 110 12.797 -6.741 -15.541 1.00 0.00 O ATOM 1778 CB ASP A 110 16.025 -7.641 -16.198 1.00 0.00 C ATOM 1779 CG ASP A 110 15.239 -8.749 -16.937 1.00 0.00 C ATOM 1780 OD1 ASP A 110 14.903 -8.563 -18.127 1.00 0.00 O ATOM 1781 OD2 ASP A 110 14.946 -9.799 -16.322 1.00 0.00 O ATOM 0 H ASP A 110 16.866 -5.826 -14.726 1.00 0.00 H new ATOM 0 HA ASP A 110 14.853 -5.905 -16.705 1.00 0.00 H new ATOM 0 HB2 ASP A 110 16.841 -7.301 -16.836 1.00 0.00 H new ATOM 0 HB3 ASP A 110 16.477 -8.066 -15.302 1.00 0.00 H new ATOM 1786 N GLN A 111 14.118 -7.404 -13.816 1.00 0.00 N ATOM 1787 CA GLN A 111 13.027 -7.807 -12.922 1.00 0.00 C ATOM 1788 C GLN A 111 12.120 -6.613 -12.566 1.00 0.00 C ATOM 1789 O GLN A 111 10.920 -6.761 -12.549 1.00 0.00 O ATOM 1790 CB GLN A 111 13.598 -8.454 -11.638 1.00 0.00 C ATOM 1791 CG GLN A 111 14.369 -9.765 -11.870 1.00 0.00 C ATOM 1792 CD GLN A 111 13.496 -10.892 -12.422 1.00 0.00 C ATOM 1793 OE1 GLN A 111 13.385 -11.080 -13.636 1.00 0.00 O ATOM 1794 NE2 GLN A 111 12.846 -11.628 -11.531 1.00 0.00 N ATOM 0 H GLN A 111 15.047 -7.557 -13.425 1.00 0.00 H new ATOM 0 HA GLN A 111 12.417 -8.542 -13.447 1.00 0.00 H new ATOM 0 HB2 GLN A 111 14.261 -7.739 -11.151 1.00 0.00 H new ATOM 0 HB3 GLN A 111 12.776 -8.648 -10.948 1.00 0.00 H new ATOM 0 HG2 GLN A 111 15.189 -9.578 -12.563 1.00 0.00 H new ATOM 0 HG3 GLN A 111 14.814 -10.088 -10.929 1.00 0.00 H new ATOM 0 HE21 GLN A 111 12.962 -11.443 -10.535 1.00 0.00 H new ATOM 0 HE22 GLN A 111 12.230 -12.379 -11.842 1.00 0.00 H new ATOM 1803 N TYR A 112 12.714 -5.426 -12.318 1.00 0.00 N ATOM 1804 CA TYR A 112 11.961 -4.217 -11.907 1.00 0.00 C ATOM 1805 C TYR A 112 10.918 -3.808 -12.971 1.00 0.00 C ATOM 1806 O TYR A 112 9.755 -3.563 -12.635 1.00 0.00 O ATOM 1807 CB TYR A 112 12.930 -3.041 -11.560 1.00 0.00 C ATOM 1808 CG TYR A 112 13.414 -3.016 -10.084 1.00 0.00 C ATOM 1809 CD1 TYR A 112 14.439 -3.852 -9.629 1.00 0.00 C ATOM 1810 CD2 TYR A 112 12.824 -2.160 -9.142 1.00 0.00 C ATOM 1811 CE1 TYR A 112 14.854 -3.835 -8.308 1.00 0.00 C ATOM 1812 CE2 TYR A 112 13.235 -2.144 -7.818 1.00 0.00 C ATOM 1813 CZ TYR A 112 14.252 -2.982 -7.408 1.00 0.00 C ATOM 1814 OH TYR A 112 14.656 -2.977 -6.088 1.00 0.00 O ATOM 0 H TYR A 112 13.720 -5.277 -12.396 1.00 0.00 H new ATOM 0 HA TYR A 112 11.409 -4.463 -11.000 1.00 0.00 H new ATOM 0 HB2 TYR A 112 13.801 -3.100 -12.213 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.430 -2.098 -11.781 1.00 0.00 H new ATOM 0 HD1 TYR A 112 14.918 -4.526 -10.324 1.00 0.00 H new ATOM 0 HD2 TYR A 112 12.031 -1.498 -9.456 1.00 0.00 H new ATOM 0 HE1 TYR A 112 15.649 -4.490 -7.983 1.00 0.00 H new ATOM 0 HE2 TYR A 112 12.762 -1.479 -7.111 1.00 0.00 H new ATOM 0 HH TYR A 112 15.465 -3.522 -5.991 1.00 0.00 H new ATOM 1824 N LYS A 113 11.314 -3.772 -14.259 1.00 0.00 N ATOM 1825 CA LYS A 113 10.361 -3.453 -15.340 1.00 0.00 C ATOM 1826 C LYS A 113 9.391 -4.633 -15.588 1.00 0.00 C ATOM 1827 O LYS A 113 8.199 -4.421 -15.776 1.00 0.00 O ATOM 1828 CB LYS A 113 11.082 -2.954 -16.641 1.00 0.00 C ATOM 1829 CG LYS A 113 12.134 -3.894 -17.298 1.00 0.00 C ATOM 1830 CD LYS A 113 11.519 -5.021 -18.165 1.00 0.00 C ATOM 1831 CE LYS A 113 12.575 -5.934 -18.805 1.00 0.00 C ATOM 1832 NZ LYS A 113 11.960 -7.085 -19.518 1.00 0.00 N ATOM 0 H LYS A 113 12.267 -3.956 -14.572 1.00 0.00 H new ATOM 0 HA LYS A 113 9.751 -2.611 -15.012 1.00 0.00 H new ATOM 0 HB2 LYS A 113 10.316 -2.738 -17.386 1.00 0.00 H new ATOM 0 HB3 LYS A 113 11.576 -2.011 -16.408 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.803 -3.297 -17.918 1.00 0.00 H new ATOM 0 HG3 LYS A 113 12.743 -4.344 -16.514 1.00 0.00 H new ATOM 0 HD2 LYS A 113 10.853 -5.624 -17.548 1.00 0.00 H new ATOM 0 HD3 LYS A 113 10.909 -4.575 -18.951 1.00 0.00 H new ATOM 0 HE2 LYS A 113 13.178 -5.355 -19.504 1.00 0.00 H new ATOM 0 HE3 LYS A 113 13.249 -6.305 -18.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 12.676 -7.547 -20.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.594 -7.768 -18.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.179 -6.746 -20.116 1.00 0.00 H new ATOM 1846 N GLU A 114 9.911 -5.869 -15.489 1.00 0.00 N ATOM 1847 CA GLU A 114 9.157 -7.101 -15.826 1.00 0.00 C ATOM 1848 C GLU A 114 8.039 -7.375 -14.795 1.00 0.00 C ATOM 1849 O GLU A 114 6.961 -7.868 -15.135 1.00 0.00 O ATOM 1850 CB GLU A 114 10.135 -8.308 -15.867 1.00 0.00 C ATOM 1851 CG GLU A 114 9.595 -9.579 -16.551 1.00 0.00 C ATOM 1852 CD GLU A 114 9.571 -9.475 -18.087 1.00 0.00 C ATOM 1853 OE1 GLU A 114 10.657 -9.558 -18.707 1.00 0.00 O ATOM 1854 OE2 GLU A 114 8.491 -9.287 -18.676 1.00 0.00 O ATOM 0 H GLU A 114 10.865 -6.048 -15.174 1.00 0.00 H new ATOM 0 HA GLU A 114 8.691 -6.962 -16.802 1.00 0.00 H new ATOM 0 HB2 GLU A 114 11.045 -7.998 -16.382 1.00 0.00 H new ATOM 0 HB3 GLU A 114 10.417 -8.559 -14.845 1.00 0.00 H new ATOM 0 HG2 GLU A 114 10.210 -10.430 -16.260 1.00 0.00 H new ATOM 0 HG3 GLU A 114 8.586 -9.777 -16.190 1.00 0.00 H new ATOM 1861 N THR A 115 8.326 -7.028 -13.536 1.00 0.00 N ATOM 1862 CA THR A 115 7.486 -7.349 -12.373 1.00 0.00 C ATOM 1863 C THR A 115 6.543 -6.181 -12.044 1.00 0.00 C ATOM 1864 O THR A 115 5.341 -6.390 -11.814 1.00 0.00 O ATOM 1865 CB THR A 115 8.404 -7.682 -11.145 1.00 0.00 C ATOM 1866 OG1 THR A 115 9.253 -8.794 -11.470 1.00 0.00 O ATOM 1867 CG2 THR A 115 7.630 -7.999 -9.867 1.00 0.00 C ATOM 0 H THR A 115 9.166 -6.505 -13.290 1.00 0.00 H new ATOM 0 HA THR A 115 6.870 -8.218 -12.606 1.00 0.00 H new ATOM 0 HB THR A 115 8.988 -6.784 -10.944 1.00 0.00 H new ATOM 0 HG1 THR A 115 10.043 -8.472 -11.953 1.00 0.00 H new ATOM 0 HG21 THR A 115 8.331 -8.219 -9.062 1.00 0.00 H new ATOM 0 HG22 THR A 115 7.018 -7.141 -9.590 1.00 0.00 H new ATOM 0 HG23 THR A 115 6.988 -8.864 -10.035 1.00 0.00 H new ATOM 1875 N TRP A 116 7.089 -4.949 -12.026 1.00 0.00 N ATOM 1876 CA TRP A 116 6.325 -3.757 -11.605 1.00 0.00 C ATOM 1877 C TRP A 116 5.697 -3.031 -12.815 1.00 0.00 C ATOM 1878 O TRP A 116 4.484 -2.801 -12.852 1.00 0.00 O ATOM 1879 CB TRP A 116 7.229 -2.756 -10.817 1.00 0.00 C ATOM 1880 CG TRP A 116 8.047 -3.351 -9.685 1.00 0.00 C ATOM 1881 CD1 TRP A 116 9.396 -3.225 -9.498 1.00 0.00 C ATOM 1882 CD2 TRP A 116 7.572 -4.144 -8.587 1.00 0.00 C ATOM 1883 NE1 TRP A 116 9.784 -3.892 -8.367 1.00 0.00 N ATOM 1884 CE2 TRP A 116 8.685 -4.465 -7.794 1.00 0.00 C ATOM 1885 CE3 TRP A 116 6.319 -4.617 -8.202 1.00 0.00 C ATOM 1886 CZ2 TRP A 116 8.583 -5.229 -6.643 1.00 0.00 C ATOM 1887 CZ3 TRP A 116 6.223 -5.372 -7.054 1.00 0.00 C ATOM 1888 CH2 TRP A 116 7.348 -5.678 -6.289 1.00 0.00 C ATOM 0 H TRP A 116 8.053 -4.753 -12.297 1.00 0.00 H new ATOM 0 HA TRP A 116 5.527 -4.109 -10.952 1.00 0.00 H new ATOM 0 HB2 TRP A 116 7.911 -2.281 -11.522 1.00 0.00 H new ATOM 0 HB3 TRP A 116 6.595 -1.970 -10.407 1.00 0.00 H new ATOM 0 HD1 TRP A 116 10.061 -2.677 -10.150 1.00 0.00 H new ATOM 0 HE1 TRP A 116 10.738 -3.951 -8.011 1.00 0.00 H new ATOM 0 HE3 TRP A 116 5.441 -4.396 -8.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 116 9.454 -5.460 -6.047 1.00 0.00 H new ATOM 0 HZ3 TRP A 116 5.256 -5.735 -6.740 1.00 0.00 H new ATOM 0 HH2 TRP A 116 7.237 -6.282 -5.400 1.00 0.00 H new ATOM 1899 N LEU A 117 6.543 -2.707 -13.812 1.00 0.00 N ATOM 1900 CA LEU A 117 6.261 -1.625 -14.792 1.00 0.00 C ATOM 1901 C LEU A 117 5.661 -2.161 -16.114 1.00 0.00 C ATOM 1902 O LEU A 117 4.440 -2.159 -16.289 1.00 0.00 O ATOM 1903 CB LEU A 117 7.579 -0.833 -15.044 1.00 0.00 C ATOM 1904 CG LEU A 117 8.399 -0.486 -13.764 1.00 0.00 C ATOM 1905 CD1 LEU A 117 9.745 0.156 -14.109 1.00 0.00 C ATOM 1906 CD2 LEU A 117 7.589 0.399 -12.804 1.00 0.00 C ATOM 0 H LEU A 117 7.434 -3.179 -13.965 1.00 0.00 H new ATOM 0 HA LEU A 117 5.503 -0.963 -14.374 1.00 0.00 H new ATOM 0 HB2 LEU A 117 8.211 -1.415 -15.715 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.334 0.094 -15.562 1.00 0.00 H new ATOM 0 HG LEU A 117 8.610 -1.425 -13.252 1.00 0.00 H new ATOM 0 HD11 LEU A 117 10.286 0.383 -13.190 1.00 0.00 H new ATOM 0 HD12 LEU A 117 10.332 -0.534 -14.715 1.00 0.00 H new ATOM 0 HD13 LEU A 117 9.576 1.077 -14.667 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.189 0.623 -11.922 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.320 1.329 -13.306 1.00 0.00 H new ATOM 0 HD23 LEU A 117 6.682 -0.126 -12.503 1.00 0.00 H new