USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 503 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 Single : A 1 HIS : no HD1:sc= -0.467 X(o=-0.47,f=-0.16) USER MOD Single : A 1 HIS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 46:sc= 0.485 USER MOD Single : A 10 TYR OH : rot 12:sc= 0.178 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0833 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -155:sc= -11! (180deg=-14.2!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc=-0.00384 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 91:sc= -2.3! USER MOD Single : A 27 SER OG : rot 180:sc= -0.462 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 120:sc= -3.12 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.365 X(o=-0.37,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.292) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 58 MET CE :methyl -153:sc= -1.51 (180deg=-2.75) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot -23:sc= 0.54! USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 11.285 -38.540 5.556 1.00 0.00 N ATOM 2 CA HIS A 1 10.450 -38.388 6.782 1.00 0.00 C ATOM 3 C HIS A 1 9.578 -37.134 6.676 1.00 0.00 C ATOM 4 O HIS A 1 9.892 -36.100 7.232 1.00 0.00 O ATOM 5 CB HIS A 1 11.451 -38.252 7.930 1.00 0.00 C ATOM 6 CG HIS A 1 11.254 -39.380 8.905 1.00 0.00 C ATOM 7 ND1 HIS A 1 11.603 -39.272 10.243 1.00 0.00 N ATOM 8 CD2 HIS A 1 10.744 -40.645 8.752 1.00 0.00 C ATOM 9 CE1 HIS A 1 11.303 -40.441 10.836 1.00 0.00 C ATOM 10 NE2 HIS A 1 10.776 -41.314 9.972 1.00 0.00 N ATOM 0 H1 HIS A 1 11.872 -39.394 5.640 1.00 0.00 H new ATOM 0 H2 HIS A 1 10.667 -38.625 4.724 1.00 0.00 H new ATOM 0 H3 HIS A 1 11.899 -37.707 5.448 1.00 0.00 H new ATOM 0 HA HIS A 1 9.775 -39.231 6.929 1.00 0.00 H new ATOM 0 HB2 HIS A 1 12.469 -38.267 7.542 1.00 0.00 H new ATOM 0 HB3 HIS A 1 11.315 -37.295 8.433 1.00 0.00 H new ATOM 0 HD2 HIS A 1 10.374 -41.059 7.825 1.00 0.00 H new ATOM 0 HE1 HIS A 1 11.468 -40.649 11.883 1.00 0.00 H new ATOM 0 HE2 HIS A 1 10.464 -42.266 10.165 1.00 0.00 H new ATOM 20 N PHE A 2 8.485 -37.215 5.966 1.00 0.00 N ATOM 21 CA PHE A 2 7.597 -36.025 5.825 1.00 0.00 C ATOM 22 C PHE A 2 6.261 -36.429 5.197 1.00 0.00 C ATOM 23 O PHE A 2 6.217 -37.032 4.143 1.00 0.00 O ATOM 24 CB PHE A 2 8.357 -35.071 4.905 1.00 0.00 C ATOM 25 CG PHE A 2 7.786 -33.681 5.040 1.00 0.00 C ATOM 26 CD1 PHE A 2 7.793 -33.040 6.285 1.00 0.00 C ATOM 27 CD2 PHE A 2 7.248 -33.032 3.922 1.00 0.00 C ATOM 28 CE1 PHE A 2 7.261 -31.752 6.412 1.00 0.00 C ATOM 29 CE2 PHE A 2 6.718 -31.744 4.049 1.00 0.00 C ATOM 30 CZ PHE A 2 6.724 -31.103 5.295 1.00 0.00 C ATOM 0 H PHE A 2 8.169 -38.053 5.478 1.00 0.00 H new ATOM 0 HA PHE A 2 7.367 -35.567 6.787 1.00 0.00 H new ATOM 0 HB2 PHE A 2 9.416 -35.067 5.162 1.00 0.00 H new ATOM 0 HB3 PHE A 2 8.281 -35.408 3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 2 8.209 -33.540 7.147 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.242 -33.526 2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 2 7.265 -31.259 7.373 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.304 -31.243 3.186 1.00 0.00 H new ATOM 0 HZ PHE A 2 6.314 -30.109 5.393 1.00 0.00 H new ATOM 40 N ALA A 3 5.170 -36.101 5.835 1.00 0.00 N ATOM 41 CA ALA A 3 3.837 -36.465 5.274 1.00 0.00 C ATOM 42 C ALA A 3 3.064 -35.204 4.879 1.00 0.00 C ATOM 43 O ALA A 3 3.515 -34.095 5.091 1.00 0.00 O ATOM 44 CB ALA A 3 3.119 -37.199 6.406 1.00 0.00 C ATOM 0 H ALA A 3 5.144 -35.596 6.721 1.00 0.00 H new ATOM 0 HA ALA A 3 3.921 -37.079 4.377 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.127 -37.501 6.072 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.692 -38.083 6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.026 -36.537 7.267 1.00 0.00 H new ATOM 50 N ALA A 4 1.902 -35.364 4.305 1.00 0.00 N ATOM 51 CA ALA A 4 1.101 -34.174 3.897 1.00 0.00 C ATOM 52 C ALA A 4 0.619 -33.411 5.135 1.00 0.00 C ATOM 53 O ALA A 4 0.617 -33.930 6.234 1.00 0.00 O ATOM 54 CB ALA A 4 -0.086 -34.744 3.120 1.00 0.00 C ATOM 0 H ALA A 4 1.473 -36.267 4.101 1.00 0.00 H new ATOM 0 HA ALA A 4 1.680 -33.471 3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -0.726 -33.928 2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.278 -35.300 2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -0.657 -35.411 3.766 1.00 0.00 H new ATOM 60 N ASP A 5 0.213 -32.181 4.968 1.00 0.00 N ATOM 61 CA ASP A 5 -0.265 -31.389 6.139 1.00 0.00 C ATOM 62 C ASP A 5 -1.683 -30.869 5.887 1.00 0.00 C ATOM 63 O ASP A 5 -1.886 -29.906 5.176 1.00 0.00 O ATOM 64 CB ASP A 5 0.720 -30.227 6.259 1.00 0.00 C ATOM 65 CG ASP A 5 2.126 -30.774 6.515 1.00 0.00 C ATOM 66 OD1 ASP A 5 2.227 -31.849 7.082 1.00 0.00 O ATOM 67 OD2 ASP A 5 3.077 -30.108 6.140 1.00 0.00 O ATOM 0 H ASP A 5 0.191 -31.691 4.074 1.00 0.00 H new ATOM 0 HA ASP A 5 -0.306 -31.985 7.051 1.00 0.00 H new ATOM 0 HB2 ASP A 5 0.710 -29.632 5.346 1.00 0.00 H new ATOM 0 HB3 ASP A 5 0.422 -29.566 7.073 1.00 0.00 H new ATOM 72 N CYS A 6 -2.666 -31.502 6.467 1.00 0.00 N ATOM 73 CA CYS A 6 -4.072 -31.046 6.263 1.00 0.00 C ATOM 74 C CYS A 6 -4.487 -30.085 7.382 1.00 0.00 C ATOM 75 O CYS A 6 -4.075 -30.227 8.516 1.00 0.00 O ATOM 76 CB CYS A 6 -4.914 -32.323 6.312 1.00 0.00 C ATOM 77 SG CYS A 6 -4.146 -33.593 5.274 1.00 0.00 S ATOM 0 H CYS A 6 -2.557 -32.315 7.073 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.199 -30.510 5.323 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -4.996 -32.678 7.339 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -5.926 -32.117 5.964 1.00 0.00 H new ATOM 82 N CYS A 7 -5.298 -29.110 7.073 1.00 0.00 N ATOM 83 CA CYS A 7 -5.736 -28.145 8.121 1.00 0.00 C ATOM 84 C CYS A 7 -7.035 -28.626 8.776 1.00 0.00 C ATOM 85 O CYS A 7 -7.938 -29.097 8.113 1.00 0.00 O ATOM 86 CB CYS A 7 -5.982 -26.834 7.377 1.00 0.00 C ATOM 87 SG CYS A 7 -4.574 -25.717 7.610 1.00 0.00 S ATOM 0 H CYS A 7 -5.676 -28.940 6.141 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.994 -28.038 8.912 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.129 -27.031 6.315 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.895 -26.364 7.743 1.00 0.00 H new ATOM 92 N THR A 8 -7.140 -28.497 10.068 1.00 0.00 N ATOM 93 CA THR A 8 -8.385 -28.929 10.767 1.00 0.00 C ATOM 94 C THR A 8 -9.192 -27.697 11.181 1.00 0.00 C ATOM 95 O THR A 8 -10.369 -27.775 11.470 1.00 0.00 O ATOM 96 CB THR A 8 -7.909 -29.704 11.997 1.00 0.00 C ATOM 97 OG1 THR A 8 -9.002 -30.421 12.555 1.00 0.00 O ATOM 98 CG2 THR A 8 -7.354 -28.729 13.035 1.00 0.00 C ATOM 0 H THR A 8 -6.416 -28.110 10.673 1.00 0.00 H new ATOM 0 HA THR A 8 -9.029 -29.542 10.136 1.00 0.00 H new ATOM 0 HB THR A 8 -7.126 -30.403 11.705 1.00 0.00 H new ATOM 0 HG1 THR A 8 -8.698 -30.919 13.342 1.00 0.00 H new ATOM 0 HG21 THR A 8 -7.016 -29.283 13.910 1.00 0.00 H new ATOM 0 HG22 THR A 8 -6.516 -28.180 12.607 1.00 0.00 H new ATOM 0 HG23 THR A 8 -8.135 -28.028 13.329 1.00 0.00 H new ATOM 106 N SER A 9 -8.556 -26.559 11.203 1.00 0.00 N ATOM 107 CA SER A 9 -9.262 -25.305 11.589 1.00 0.00 C ATOM 108 C SER A 9 -8.426 -24.099 11.154 1.00 0.00 C ATOM 109 O SER A 9 -7.221 -24.090 11.292 1.00 0.00 O ATOM 110 CB SER A 9 -9.372 -25.362 13.114 1.00 0.00 C ATOM 111 OG SER A 9 -10.688 -25.756 13.479 1.00 0.00 O ATOM 0 H SER A 9 -7.570 -26.443 10.968 1.00 0.00 H new ATOM 0 HA SER A 9 -10.242 -25.211 11.120 1.00 0.00 H new ATOM 0 HB2 SER A 9 -8.645 -26.068 13.516 1.00 0.00 H new ATOM 0 HB3 SER A 9 -9.141 -24.387 13.543 1.00 0.00 H new ATOM 0 HG SER A 9 -10.964 -26.521 12.933 1.00 0.00 H new ATOM 117 N TYR A 10 -9.050 -23.086 10.620 1.00 0.00 N ATOM 118 CA TYR A 10 -8.274 -21.896 10.170 1.00 0.00 C ATOM 119 C TYR A 10 -8.150 -20.884 11.310 1.00 0.00 C ATOM 120 O TYR A 10 -8.680 -21.077 12.385 1.00 0.00 O ATOM 121 CB TYR A 10 -9.081 -21.310 9.013 1.00 0.00 C ATOM 122 CG TYR A 10 -9.239 -22.356 7.935 1.00 0.00 C ATOM 123 CD1 TYR A 10 -8.128 -22.769 7.191 1.00 0.00 C ATOM 124 CD2 TYR A 10 -10.498 -22.915 7.683 1.00 0.00 C ATOM 125 CE1 TYR A 10 -8.275 -23.742 6.195 1.00 0.00 C ATOM 126 CE2 TYR A 10 -10.645 -23.887 6.687 1.00 0.00 C ATOM 127 CZ TYR A 10 -9.533 -24.301 5.943 1.00 0.00 C ATOM 128 OH TYR A 10 -9.678 -25.260 4.962 1.00 0.00 O ATOM 0 H TYR A 10 -10.058 -23.030 10.476 1.00 0.00 H new ATOM 0 HA TYR A 10 -7.260 -22.155 9.866 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -10.059 -20.984 9.365 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -8.577 -20.431 8.612 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.157 -22.337 7.385 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -11.355 -22.596 8.257 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.418 -24.061 5.621 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -11.616 -24.318 6.492 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.794 -25.570 4.675 1.00 0.00 H new ATOM 138 N ILE A 11 -7.451 -19.807 11.083 1.00 0.00 N ATOM 139 CA ILE A 11 -7.293 -18.788 12.157 1.00 0.00 C ATOM 140 C ILE A 11 -8.600 -18.007 12.328 1.00 0.00 C ATOM 141 O ILE A 11 -9.551 -18.212 11.600 1.00 0.00 O ATOM 142 CB ILE A 11 -6.145 -17.874 11.698 1.00 0.00 C ATOM 143 CG1 ILE A 11 -6.650 -16.847 10.674 1.00 0.00 C ATOM 144 CG2 ILE A 11 -5.025 -18.711 11.076 1.00 0.00 C ATOM 145 CD1 ILE A 11 -6.910 -17.530 9.329 1.00 0.00 C ATOM 0 H ILE A 11 -6.984 -19.589 10.203 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.067 -19.235 13.125 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.759 -17.343 12.568 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.566 -16.380 11.037 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.914 -16.052 10.551 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.216 -18.055 10.754 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.646 -19.418 11.814 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.413 -19.257 10.216 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.268 -16.793 8.610 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -5.985 -17.976 8.962 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.662 -18.308 9.456 1.00 0.00 H new ATOM 157 N SER A 12 -8.664 -17.125 13.289 1.00 0.00 N ATOM 158 CA SER A 12 -9.921 -16.353 13.504 1.00 0.00 C ATOM 159 C SER A 12 -9.781 -14.922 12.978 1.00 0.00 C ATOM 160 O SER A 12 -10.707 -14.138 13.036 1.00 0.00 O ATOM 161 CB SER A 12 -10.127 -16.350 15.019 1.00 0.00 C ATOM 162 OG SER A 12 -8.920 -16.721 15.667 1.00 0.00 O ATOM 0 H SER A 12 -7.903 -16.906 13.932 1.00 0.00 H new ATOM 0 HA SER A 12 -10.765 -16.795 12.973 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.440 -15.360 15.351 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.924 -17.043 15.289 1.00 0.00 H new ATOM 0 HG SER A 12 -9.055 -16.716 16.638 1.00 0.00 H new ATOM 168 N GLN A 13 -8.636 -14.575 12.466 1.00 0.00 N ATOM 169 CA GLN A 13 -8.446 -13.192 11.938 1.00 0.00 C ATOM 170 C GLN A 13 -7.333 -13.172 10.888 1.00 0.00 C ATOM 171 O GLN A 13 -6.838 -14.201 10.475 1.00 0.00 O ATOM 172 CB GLN A 13 -8.048 -12.357 13.154 1.00 0.00 C ATOM 173 CG GLN A 13 -6.643 -12.759 13.608 1.00 0.00 C ATOM 174 CD GLN A 13 -6.306 -12.040 14.915 1.00 0.00 C ATOM 175 OE1 GLN A 13 -6.295 -10.826 14.969 1.00 0.00 O ATOM 176 NE2 GLN A 13 -6.029 -12.742 15.980 1.00 0.00 N ATOM 0 H GLN A 13 -7.823 -15.186 12.389 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.344 -12.809 11.454 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.072 -11.296 12.904 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.762 -12.510 13.964 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.590 -13.838 13.750 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.913 -12.502 12.840 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.038 -13.761 15.936 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.804 -12.272 16.857 1.00 0.00 H new ATOM 185 N SER A 14 -6.935 -12.008 10.455 1.00 0.00 N ATOM 186 CA SER A 14 -5.852 -11.925 9.435 1.00 0.00 C ATOM 187 C SER A 14 -4.672 -12.807 9.854 1.00 0.00 C ATOM 188 O SER A 14 -4.416 -12.998 11.026 1.00 0.00 O ATOM 189 CB SER A 14 -5.440 -10.453 9.413 1.00 0.00 C ATOM 190 OG SER A 14 -4.659 -10.163 10.563 1.00 0.00 O ATOM 0 H SER A 14 -7.312 -11.112 10.763 1.00 0.00 H new ATOM 0 HA SER A 14 -6.178 -12.270 8.454 1.00 0.00 H new ATOM 0 HB2 SER A 14 -4.870 -10.237 8.509 1.00 0.00 H new ATOM 0 HB3 SER A 14 -6.325 -9.817 9.391 1.00 0.00 H new ATOM 0 HG SER A 14 -4.393 -9.220 10.549 1.00 0.00 H new ATOM 196 N ILE A 15 -3.953 -13.349 8.910 1.00 0.00 N ATOM 197 CA ILE A 15 -2.796 -14.215 9.266 1.00 0.00 C ATOM 198 C ILE A 15 -1.648 -13.357 9.810 1.00 0.00 C ATOM 199 O ILE A 15 -1.321 -12.328 9.253 1.00 0.00 O ATOM 200 CB ILE A 15 -2.391 -14.899 7.958 1.00 0.00 C ATOM 201 CG1 ILE A 15 -3.330 -16.074 7.687 1.00 0.00 C ATOM 202 CG2 ILE A 15 -0.958 -15.420 8.073 1.00 0.00 C ATOM 203 CD1 ILE A 15 -3.103 -17.159 8.742 1.00 0.00 C ATOM 0 H ILE A 15 -4.117 -13.230 7.910 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.043 -14.942 10.039 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.454 -14.180 7.141 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.367 -15.739 7.712 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.149 -16.477 6.690 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -0.672 -15.907 7.141 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.283 -14.587 8.270 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.896 -16.138 8.891 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.772 -17.998 8.551 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.069 -17.501 8.696 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.306 -16.752 9.732 1.00 0.00 H new ATOM 215 N PRO A 16 -1.080 -13.816 10.889 1.00 0.00 N ATOM 216 CA PRO A 16 0.041 -13.094 11.531 1.00 0.00 C ATOM 217 C PRO A 16 1.357 -13.402 10.816 1.00 0.00 C ATOM 218 O PRO A 16 2.118 -14.248 11.240 1.00 0.00 O ATOM 219 CB PRO A 16 0.062 -13.662 12.945 1.00 0.00 C ATOM 220 CG PRO A 16 -0.550 -15.026 12.832 1.00 0.00 C ATOM 221 CD PRO A 16 -1.429 -15.044 11.605 1.00 0.00 C ATOM 0 HA PRO A 16 -0.078 -12.011 11.504 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.080 -13.718 13.331 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.505 -13.032 13.631 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.227 -15.787 12.755 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.135 -15.256 13.723 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.241 -15.927 10.994 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.485 -15.061 11.873 1.00 0.00 H new ATOM 229 N CYS A 17 1.633 -12.723 9.739 1.00 0.00 N ATOM 230 CA CYS A 17 2.907 -12.976 9.008 1.00 0.00 C ATOM 231 C CYS A 17 4.102 -12.605 9.888 1.00 0.00 C ATOM 232 O CYS A 17 5.183 -13.140 9.745 1.00 0.00 O ATOM 233 CB CYS A 17 2.848 -12.074 7.777 1.00 0.00 C ATOM 234 SG CYS A 17 2.936 -13.089 6.280 1.00 0.00 S ATOM 0 H CYS A 17 1.033 -12.005 9.333 1.00 0.00 H new ATOM 0 HA CYS A 17 3.024 -14.025 8.736 1.00 0.00 H new ATOM 0 HB2 CYS A 17 1.925 -11.494 7.782 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.673 -11.362 7.795 1.00 0.00 H new ATOM 239 N SER A 18 3.914 -11.689 10.801 1.00 0.00 N ATOM 240 CA SER A 18 5.041 -11.281 11.693 1.00 0.00 C ATOM 241 C SER A 18 5.394 -12.413 12.661 1.00 0.00 C ATOM 242 O SER A 18 6.328 -12.318 13.430 1.00 0.00 O ATOM 243 CB SER A 18 4.521 -10.062 12.458 1.00 0.00 C ATOM 244 OG SER A 18 5.323 -8.931 12.148 1.00 0.00 O ATOM 0 H SER A 18 3.031 -11.206 10.968 1.00 0.00 H new ATOM 0 HA SER A 18 5.947 -11.054 11.131 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.482 -9.868 12.192 1.00 0.00 H new ATOM 0 HB3 SER A 18 4.545 -10.255 13.531 1.00 0.00 H new ATOM 0 HG SER A 18 4.989 -8.150 12.636 1.00 0.00 H new ATOM 250 N LEU A 19 4.654 -13.484 12.623 1.00 0.00 N ATOM 251 CA LEU A 19 4.941 -14.628 13.534 1.00 0.00 C ATOM 252 C LEU A 19 5.162 -15.904 12.716 1.00 0.00 C ATOM 253 O LEU A 19 4.932 -17.001 13.188 1.00 0.00 O ATOM 254 CB LEU A 19 3.694 -14.761 14.410 1.00 0.00 C ATOM 255 CG LEU A 19 3.773 -13.763 15.567 1.00 0.00 C ATOM 256 CD1 LEU A 19 5.041 -14.025 16.383 1.00 0.00 C ATOM 257 CD2 LEU A 19 3.811 -12.338 15.010 1.00 0.00 C ATOM 0 H LEU A 19 3.859 -13.618 11.998 1.00 0.00 H new ATOM 0 HA LEU A 19 5.840 -14.469 14.130 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.799 -14.576 13.817 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.615 -15.777 14.797 1.00 0.00 H new ATOM 0 HG LEU A 19 2.899 -13.880 16.207 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.097 -13.314 17.207 1.00 0.00 H new ATOM 0 HD12 LEU A 19 5.015 -15.040 16.780 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.916 -13.908 15.743 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.867 -11.627 15.834 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.685 -12.221 14.369 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.908 -12.150 14.429 1.00 0.00 H new ATOM 269 N MET A 20 5.610 -15.772 11.497 1.00 0.00 N ATOM 270 CA MET A 20 5.848 -16.983 10.655 1.00 0.00 C ATOM 271 C MET A 20 7.069 -16.766 9.762 1.00 0.00 C ATOM 272 O MET A 20 7.300 -15.686 9.255 1.00 0.00 O ATOM 273 CB MET A 20 4.595 -17.193 9.777 1.00 0.00 C ATOM 274 CG MET A 20 3.409 -16.339 10.254 1.00 0.00 C ATOM 275 SD MET A 20 2.637 -17.116 11.695 1.00 0.00 S ATOM 276 CE MET A 20 0.981 -17.311 10.987 1.00 0.00 C ATOM 0 H MET A 20 5.822 -14.881 11.047 1.00 0.00 H new ATOM 0 HA MET A 20 6.031 -17.854 11.284 1.00 0.00 H new ATOM 0 HB2 MET A 20 4.830 -16.941 8.743 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.313 -18.246 9.793 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.750 -15.336 10.509 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.679 -16.233 9.452 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.244 -17.349 11.790 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.763 -16.466 10.334 1.00 0.00 H new ATOM 0 HE3 MET A 20 0.938 -18.235 10.411 1.00 0.00 H new ATOM 286 N LYS A 21 7.851 -17.789 9.568 1.00 0.00 N ATOM 287 CA LYS A 21 9.062 -17.656 8.710 1.00 0.00 C ATOM 288 C LYS A 21 8.751 -18.084 7.271 1.00 0.00 C ATOM 289 O LYS A 21 9.412 -17.672 6.340 1.00 0.00 O ATOM 290 CB LYS A 21 10.096 -18.591 9.338 1.00 0.00 C ATOM 291 CG LYS A 21 9.559 -20.023 9.336 1.00 0.00 C ATOM 292 CD LYS A 21 10.614 -20.962 8.747 1.00 0.00 C ATOM 293 CE LYS A 21 11.821 -21.024 9.685 1.00 0.00 C ATOM 294 NZ LYS A 21 12.959 -21.439 8.815 1.00 0.00 N ATOM 0 H LYS A 21 7.704 -18.716 9.968 1.00 0.00 H new ATOM 0 HA LYS A 21 9.418 -16.627 8.660 1.00 0.00 H new ATOM 0 HB2 LYS A 21 11.032 -18.542 8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.315 -18.275 10.358 1.00 0.00 H new ATOM 0 HG2 LYS A 21 9.309 -20.331 10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 21 8.641 -20.078 8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 21 10.194 -21.959 8.611 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.922 -20.609 7.763 1.00 0.00 H new ATOM 0 HE2 LYS A 21 12.011 -20.057 10.150 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.659 -21.739 10.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 13.826 -21.505 9.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.752 -22.366 8.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 13.093 -20.736 8.060 1.00 0.00 H new ATOM 308 N SER A 22 7.757 -18.911 7.079 1.00 0.00 N ATOM 309 CA SER A 22 7.428 -19.355 5.692 1.00 0.00 C ATOM 310 C SER A 22 5.959 -19.780 5.587 1.00 0.00 C ATOM 311 O SER A 22 5.211 -19.719 6.542 1.00 0.00 O ATOM 312 CB SER A 22 8.347 -20.548 5.433 1.00 0.00 C ATOM 313 OG SER A 22 8.359 -20.842 4.043 1.00 0.00 O ATOM 0 H SER A 22 7.164 -19.295 7.814 1.00 0.00 H new ATOM 0 HA SER A 22 7.572 -18.555 4.965 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.357 -20.325 5.777 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.003 -21.415 5.996 1.00 0.00 H new ATOM 0 HG SER A 22 8.949 -21.606 3.875 1.00 0.00 H new ATOM 319 N TYR A 23 5.546 -20.208 4.423 1.00 0.00 N ATOM 320 CA TYR A 23 4.131 -20.640 4.233 1.00 0.00 C ATOM 321 C TYR A 23 4.058 -21.725 3.153 1.00 0.00 C ATOM 322 O TYR A 23 4.867 -21.758 2.246 1.00 0.00 O ATOM 323 CB TYR A 23 3.399 -19.382 3.772 1.00 0.00 C ATOM 324 CG TYR A 23 3.909 -18.981 2.408 1.00 0.00 C ATOM 325 CD1 TYR A 23 3.495 -19.687 1.273 1.00 0.00 C ATOM 326 CD2 TYR A 23 4.795 -17.906 2.278 1.00 0.00 C ATOM 327 CE1 TYR A 23 3.966 -19.315 0.008 1.00 0.00 C ATOM 328 CE2 TYR A 23 5.267 -17.534 1.015 1.00 0.00 C ATOM 329 CZ TYR A 23 4.852 -18.238 -0.121 1.00 0.00 C ATOM 330 OH TYR A 23 5.317 -17.872 -1.368 1.00 0.00 O ATOM 0 H TYR A 23 6.132 -20.277 3.591 1.00 0.00 H new ATOM 0 HA TYR A 23 3.696 -21.059 5.140 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.325 -19.566 3.732 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.558 -18.573 4.485 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.813 -20.518 1.373 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.115 -17.362 3.155 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.646 -19.859 -0.869 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.951 -16.704 0.917 1.00 0.00 H new ATOM 0 HH TYR A 23 5.921 -17.106 -1.280 1.00 0.00 H new ATOM 340 N PHE A 24 3.102 -22.613 3.234 1.00 0.00 N ATOM 341 CA PHE A 24 3.003 -23.680 2.195 1.00 0.00 C ATOM 342 C PHE A 24 1.548 -24.114 1.998 1.00 0.00 C ATOM 343 O PHE A 24 0.760 -24.126 2.923 1.00 0.00 O ATOM 344 CB PHE A 24 3.852 -24.840 2.731 1.00 0.00 C ATOM 345 CG PHE A 24 3.062 -25.647 3.738 1.00 0.00 C ATOM 346 CD1 PHE A 24 2.084 -26.552 3.301 1.00 0.00 C ATOM 347 CD2 PHE A 24 3.307 -25.490 5.108 1.00 0.00 C ATOM 348 CE1 PHE A 24 1.354 -27.298 4.234 1.00 0.00 C ATOM 349 CE2 PHE A 24 2.575 -26.237 6.040 1.00 0.00 C ATOM 350 CZ PHE A 24 1.599 -27.141 5.603 1.00 0.00 C ATOM 0 H PHE A 24 2.393 -22.646 3.966 1.00 0.00 H new ATOM 0 HA PHE A 24 3.354 -23.335 1.222 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.166 -25.481 1.907 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.758 -24.452 3.196 1.00 0.00 H new ATOM 0 HD1 PHE A 24 1.894 -26.673 2.245 1.00 0.00 H new ATOM 0 HD2 PHE A 24 4.060 -24.793 5.446 1.00 0.00 H new ATOM 0 HE1 PHE A 24 0.601 -27.995 3.897 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.764 -26.116 7.096 1.00 0.00 H new ATOM 0 HZ PHE A 24 1.035 -27.717 6.322 1.00 0.00 H new ATOM 360 N GLU A 25 1.190 -24.483 0.799 1.00 0.00 N ATOM 361 CA GLU A 25 -0.208 -24.929 0.540 1.00 0.00 C ATOM 362 C GLU A 25 -0.293 -26.453 0.671 1.00 0.00 C ATOM 363 O GLU A 25 0.585 -27.170 0.233 1.00 0.00 O ATOM 364 CB GLU A 25 -0.505 -24.497 -0.896 1.00 0.00 C ATOM 365 CG GLU A 25 -0.346 -22.980 -1.015 1.00 0.00 C ATOM 366 CD GLU A 25 -1.447 -22.420 -1.920 1.00 0.00 C ATOM 367 OE1 GLU A 25 -1.585 -22.913 -3.027 1.00 0.00 O ATOM 368 OE2 GLU A 25 -2.133 -21.508 -1.489 1.00 0.00 O ATOM 0 H GLU A 25 1.806 -24.495 -0.014 1.00 0.00 H new ATOM 0 HA GLU A 25 -0.921 -24.501 1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.173 -25.000 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.518 -24.790 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.402 -22.519 -0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.635 -22.738 -1.425 1.00 0.00 H new ATOM 375 N THR A 26 -1.337 -26.956 1.270 1.00 0.00 N ATOM 376 CA THR A 26 -1.461 -28.434 1.421 1.00 0.00 C ATOM 377 C THR A 26 -1.441 -29.103 0.047 1.00 0.00 C ATOM 378 O THR A 26 -1.114 -28.489 -0.949 1.00 0.00 O ATOM 379 CB THR A 26 -2.811 -28.653 2.104 1.00 0.00 C ATOM 380 OG1 THR A 26 -3.853 -28.346 1.190 1.00 0.00 O ATOM 381 CG2 THR A 26 -2.918 -27.747 3.331 1.00 0.00 C ATOM 0 H THR A 26 -2.106 -26.411 1.660 1.00 0.00 H new ATOM 0 HA THR A 26 -0.641 -28.862 1.998 1.00 0.00 H new ATOM 0 HB THR A 26 -2.897 -29.693 2.419 1.00 0.00 H new ATOM 0 HG1 THR A 26 -4.107 -29.156 0.700 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.881 -27.904 3.817 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.116 -27.985 4.030 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.833 -26.705 3.022 1.00 0.00 H new ATOM 389 N SER A 27 -1.787 -30.359 -0.016 1.00 0.00 N ATOM 390 CA SER A 27 -1.785 -31.063 -1.331 1.00 0.00 C ATOM 391 C SER A 27 -3.152 -31.670 -1.622 1.00 0.00 C ATOM 392 O SER A 27 -4.057 -31.622 -0.814 1.00 0.00 O ATOM 393 CB SER A 27 -0.748 -32.171 -1.197 1.00 0.00 C ATOM 394 OG SER A 27 -1.071 -33.230 -2.085 1.00 0.00 O ATOM 0 H SER A 27 -2.070 -30.927 0.782 1.00 0.00 H new ATOM 0 HA SER A 27 -1.557 -30.378 -2.147 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.246 -31.783 -1.422 1.00 0.00 H new ATOM 0 HB3 SER A 27 -0.722 -32.538 -0.171 1.00 0.00 H new ATOM 0 HG SER A 27 -0.404 -33.943 -2.001 1.00 0.00 H new ATOM 400 N SER A 28 -3.296 -32.256 -2.775 1.00 0.00 N ATOM 401 CA SER A 28 -4.597 -32.889 -3.134 1.00 0.00 C ATOM 402 C SER A 28 -4.813 -34.138 -2.285 1.00 0.00 C ATOM 403 O SER A 28 -5.918 -34.620 -2.129 1.00 0.00 O ATOM 404 CB SER A 28 -4.471 -33.253 -4.614 1.00 0.00 C ATOM 405 OG SER A 28 -3.834 -34.517 -4.739 1.00 0.00 O ATOM 0 H SER A 28 -2.569 -32.325 -3.487 1.00 0.00 H new ATOM 0 HA SER A 28 -5.446 -32.229 -2.956 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.457 -33.284 -5.077 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.896 -32.491 -5.139 1.00 0.00 H new ATOM 0 HG SER A 28 -3.755 -34.751 -5.687 1.00 0.00 H new ATOM 411 N GLU A 29 -3.758 -34.661 -1.738 1.00 0.00 N ATOM 412 CA GLU A 29 -3.875 -35.881 -0.891 1.00 0.00 C ATOM 413 C GLU A 29 -4.472 -35.527 0.472 1.00 0.00 C ATOM 414 O GLU A 29 -5.029 -36.366 1.151 1.00 0.00 O ATOM 415 CB GLU A 29 -2.444 -36.395 -0.734 1.00 0.00 C ATOM 416 CG GLU A 29 -2.406 -37.895 -1.038 1.00 0.00 C ATOM 417 CD GLU A 29 -2.400 -38.110 -2.552 1.00 0.00 C ATOM 418 OE1 GLU A 29 -2.391 -37.123 -3.270 1.00 0.00 O ATOM 419 OE2 GLU A 29 -2.404 -39.256 -2.968 1.00 0.00 O ATOM 0 H GLU A 29 -2.811 -34.296 -1.840 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.530 -36.630 -1.337 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.777 -35.859 -1.409 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.088 -36.209 0.279 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.518 -38.344 -0.593 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.270 -38.389 -0.594 1.00 0.00 H new ATOM 426 N CYS A 30 -4.358 -34.293 0.885 1.00 0.00 N ATOM 427 CA CYS A 30 -4.920 -33.906 2.211 1.00 0.00 C ATOM 428 C CYS A 30 -6.450 -33.910 2.173 1.00 0.00 C ATOM 429 O CYS A 30 -7.062 -33.474 1.218 1.00 0.00 O ATOM 430 CB CYS A 30 -4.406 -32.496 2.476 1.00 0.00 C ATOM 431 SG CYS A 30 -3.206 -32.543 3.828 1.00 0.00 S ATOM 0 H CYS A 30 -3.904 -33.542 0.366 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.619 -34.605 2.991 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -3.942 -32.090 1.577 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -5.235 -31.836 2.733 1.00 0.00 H new ATOM 436 N SER A 31 -7.066 -34.396 3.212 1.00 0.00 N ATOM 437 CA SER A 31 -8.556 -34.430 3.257 1.00 0.00 C ATOM 438 C SER A 31 -9.118 -33.008 3.273 1.00 0.00 C ATOM 439 O SER A 31 -10.300 -32.791 3.091 1.00 0.00 O ATOM 440 CB SER A 31 -8.896 -35.159 4.558 1.00 0.00 C ATOM 441 OG SER A 31 -9.418 -36.444 4.257 1.00 0.00 O ATOM 0 H SER A 31 -6.601 -34.774 4.037 1.00 0.00 H new ATOM 0 HA SER A 31 -8.985 -34.928 2.387 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.005 -35.253 5.179 1.00 0.00 H new ATOM 0 HB3 SER A 31 -9.624 -34.584 5.130 1.00 0.00 H new ATOM 0 HG SER A 31 -9.635 -36.912 5.090 1.00 0.00 H new ATOM 447 N LYS A 32 -8.276 -32.041 3.491 1.00 0.00 N ATOM 448 CA LYS A 32 -8.748 -30.626 3.525 1.00 0.00 C ATOM 449 C LYS A 32 -7.619 -29.687 3.092 1.00 0.00 C ATOM 450 O LYS A 32 -6.564 -29.667 3.695 1.00 0.00 O ATOM 451 CB LYS A 32 -9.124 -30.371 4.986 1.00 0.00 C ATOM 452 CG LYS A 32 -10.625 -30.599 5.176 1.00 0.00 C ATOM 453 CD LYS A 32 -11.064 -30.013 6.521 1.00 0.00 C ATOM 454 CE LYS A 32 -11.710 -28.645 6.296 1.00 0.00 C ATOM 455 NZ LYS A 32 -11.887 -28.074 7.661 1.00 0.00 N ATOM 0 H LYS A 32 -7.276 -32.167 3.648 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.587 -30.451 2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.559 -31.036 5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.862 -29.351 5.267 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.181 -30.130 4.364 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.849 -31.665 5.141 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.770 -30.685 7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.205 -29.916 7.185 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.077 -28.006 5.680 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.666 -28.740 5.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.326 -27.134 7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -12.499 -28.700 8.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.960 -27.989 8.125 1.00 0.00 H new ATOM 469 N PRO A 33 -7.878 -28.937 2.055 1.00 0.00 N ATOM 470 CA PRO A 33 -6.867 -27.986 1.536 1.00 0.00 C ATOM 471 C PRO A 33 -6.713 -26.792 2.478 1.00 0.00 C ATOM 472 O PRO A 33 -7.364 -26.702 3.499 1.00 0.00 O ATOM 473 CB PRO A 33 -7.439 -27.545 0.195 1.00 0.00 C ATOM 474 CG PRO A 33 -8.915 -27.757 0.315 1.00 0.00 C ATOM 475 CD PRO A 33 -9.122 -28.900 1.276 1.00 0.00 C ATOM 0 HA PRO A 33 -5.876 -28.430 1.447 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.206 -26.500 -0.009 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.021 -28.131 -0.624 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.405 -26.854 0.679 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.351 -27.987 -0.657 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.989 -28.732 1.915 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -9.291 -29.839 0.749 1.00 0.00 H new ATOM 483 N GLY A 34 -5.851 -25.876 2.138 1.00 0.00 N ATOM 484 CA GLY A 34 -5.648 -24.685 3.010 1.00 0.00 C ATOM 485 C GLY A 34 -4.162 -24.322 3.035 1.00 0.00 C ATOM 486 O GLY A 34 -3.308 -25.141 2.757 1.00 0.00 O ATOM 0 H GLY A 34 -5.278 -25.900 1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.233 -23.844 2.638 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.999 -24.896 4.020 1.00 0.00 H new ATOM 490 N VAL A 35 -3.847 -23.103 3.369 1.00 0.00 N ATOM 491 CA VAL A 35 -2.416 -22.688 3.416 1.00 0.00 C ATOM 492 C VAL A 35 -1.945 -22.613 4.869 1.00 0.00 C ATOM 493 O VAL A 35 -2.475 -21.862 5.664 1.00 0.00 O ATOM 494 CB VAL A 35 -2.386 -21.304 2.767 1.00 0.00 C ATOM 495 CG1 VAL A 35 -1.077 -20.595 3.122 1.00 0.00 C ATOM 496 CG2 VAL A 35 -2.489 -21.451 1.247 1.00 0.00 C ATOM 0 H VAL A 35 -4.518 -22.374 3.612 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.759 -23.390 2.903 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.226 -20.716 3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.060 -19.609 2.658 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.003 -20.488 4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.234 -21.183 2.757 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.468 -20.465 0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.650 -22.042 0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.423 -21.951 0.992 1.00 0.00 H new ATOM 506 N ILE A 36 -0.955 -23.385 5.226 1.00 0.00 N ATOM 507 CA ILE A 36 -0.462 -23.347 6.629 1.00 0.00 C ATOM 508 C ILE A 36 0.861 -22.587 6.703 1.00 0.00 C ATOM 509 O ILE A 36 1.782 -22.849 5.953 1.00 0.00 O ATOM 510 CB ILE A 36 -0.265 -24.812 7.033 1.00 0.00 C ATOM 511 CG1 ILE A 36 -1.620 -25.422 7.402 1.00 0.00 C ATOM 512 CG2 ILE A 36 0.678 -24.894 8.241 1.00 0.00 C ATOM 513 CD1 ILE A 36 -1.405 -26.770 8.093 1.00 0.00 C ATOM 0 H ILE A 36 -0.469 -24.037 4.609 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.160 -22.838 7.293 1.00 0.00 H new ATOM 0 HB ILE A 36 0.170 -25.362 6.199 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.167 -24.747 8.061 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.227 -25.554 6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.815 -25.937 8.525 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.643 -24.459 7.980 1.00 0.00 H new ATOM 0 HG23 ILE A 36 0.247 -24.344 9.077 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.371 -27.203 8.355 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.876 -27.444 7.419 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.815 -26.625 8.998 1.00 0.00 H new ATOM 525 N PHE A 37 0.971 -21.660 7.610 1.00 0.00 N ATOM 526 CA PHE A 37 2.246 -20.902 7.736 1.00 0.00 C ATOM 527 C PHE A 37 3.125 -21.572 8.793 1.00 0.00 C ATOM 528 O PHE A 37 2.660 -21.947 9.851 1.00 0.00 O ATOM 529 CB PHE A 37 1.841 -19.494 8.179 1.00 0.00 C ATOM 530 CG PHE A 37 0.977 -18.855 7.115 1.00 0.00 C ATOM 531 CD1 PHE A 37 -0.358 -19.250 6.969 1.00 0.00 C ATOM 532 CD2 PHE A 37 1.509 -17.865 6.277 1.00 0.00 C ATOM 533 CE1 PHE A 37 -1.161 -18.658 5.987 1.00 0.00 C ATOM 534 CE2 PHE A 37 0.704 -17.273 5.295 1.00 0.00 C ATOM 535 CZ PHE A 37 -0.630 -17.670 5.151 1.00 0.00 C ATOM 0 H PHE A 37 0.238 -21.394 8.267 1.00 0.00 H new ATOM 0 HA PHE A 37 2.813 -20.874 6.806 1.00 0.00 H new ATOM 0 HB2 PHE A 37 1.298 -19.541 9.123 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.730 -18.887 8.353 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.769 -20.012 7.615 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.539 -17.559 6.388 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.191 -18.964 5.875 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.113 -16.510 4.649 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.250 -17.213 4.394 1.00 0.00 H new ATOM 545 N LEU A 38 4.388 -21.732 8.519 1.00 0.00 N ATOM 546 CA LEU A 38 5.282 -22.387 9.515 1.00 0.00 C ATOM 547 C LEU A 38 6.043 -21.322 10.302 1.00 0.00 C ATOM 548 O LEU A 38 6.699 -20.471 9.738 1.00 0.00 O ATOM 549 CB LEU A 38 6.243 -23.240 8.687 1.00 0.00 C ATOM 550 CG LEU A 38 6.110 -24.707 9.106 1.00 0.00 C ATOM 551 CD1 LEU A 38 6.376 -24.832 10.607 1.00 0.00 C ATOM 552 CD2 LEU A 38 4.697 -25.201 8.795 1.00 0.00 C ATOM 0 H LEU A 38 4.840 -21.439 7.653 1.00 0.00 H new ATOM 0 HA LEU A 38 4.733 -22.990 10.239 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.020 -23.132 7.625 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.268 -22.900 8.834 1.00 0.00 H new ATOM 0 HG LEU A 38 6.833 -25.310 8.556 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.282 -25.876 10.908 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.384 -24.480 10.829 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.652 -24.230 11.156 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.603 -26.245 9.093 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.972 -24.600 9.344 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.507 -25.111 7.725 1.00 0.00 H new ATOM 564 N THR A 39 5.943 -21.355 11.603 1.00 0.00 N ATOM 565 CA THR A 39 6.645 -20.335 12.435 1.00 0.00 C ATOM 566 C THR A 39 8.025 -20.839 12.852 1.00 0.00 C ATOM 567 O THR A 39 8.239 -22.018 13.051 1.00 0.00 O ATOM 568 CB THR A 39 5.754 -20.144 13.665 1.00 0.00 C ATOM 569 OG1 THR A 39 5.948 -21.228 14.561 1.00 0.00 O ATOM 570 CG2 THR A 39 4.285 -20.090 13.239 1.00 0.00 C ATOM 0 H THR A 39 5.405 -22.045 12.127 1.00 0.00 H new ATOM 0 HA THR A 39 6.801 -19.403 11.891 1.00 0.00 H new ATOM 0 HB THR A 39 6.018 -19.209 14.159 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.274 -20.888 15.420 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.656 -19.954 14.119 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.135 -19.256 12.553 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.016 -21.022 12.741 1.00 0.00 H new ATOM 578 N LYS A 40 8.965 -19.945 12.985 1.00 0.00 N ATOM 579 CA LYS A 40 10.338 -20.362 13.390 1.00 0.00 C ATOM 580 C LYS A 40 10.331 -20.913 14.820 1.00 0.00 C ATOM 581 O LYS A 40 11.138 -21.750 15.174 1.00 0.00 O ATOM 582 CB LYS A 40 11.178 -19.087 13.310 1.00 0.00 C ATOM 583 CG LYS A 40 12.566 -19.353 13.894 1.00 0.00 C ATOM 584 CD LYS A 40 12.625 -18.820 15.327 1.00 0.00 C ATOM 585 CE LYS A 40 14.085 -18.609 15.734 1.00 0.00 C ATOM 586 NZ LYS A 40 14.080 -17.352 16.535 1.00 0.00 N ATOM 0 H LYS A 40 8.843 -18.944 12.831 1.00 0.00 H new ATOM 0 HA LYS A 40 10.732 -21.152 12.751 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.264 -18.760 12.274 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.689 -18.282 13.859 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.779 -20.422 13.883 1.00 0.00 H new ATOM 0 HG3 LYS A 40 13.328 -18.870 13.283 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.077 -17.881 15.400 1.00 0.00 H new ATOM 0 HD3 LYS A 40 12.145 -19.523 16.008 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.458 -19.449 16.319 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.730 -18.518 14.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.047 -17.138 16.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 13.726 -16.569 15.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 13.463 -17.471 17.364 1.00 0.00 H new ATOM 600 N LYS A 41 9.432 -20.452 15.647 1.00 0.00 N ATOM 601 CA LYS A 41 9.386 -20.955 17.051 1.00 0.00 C ATOM 602 C LYS A 41 8.885 -22.402 17.086 1.00 0.00 C ATOM 603 O LYS A 41 8.826 -23.023 18.127 1.00 0.00 O ATOM 604 CB LYS A 41 8.410 -20.033 17.782 1.00 0.00 C ATOM 605 CG LYS A 41 8.473 -20.322 19.285 1.00 0.00 C ATOM 606 CD LYS A 41 7.768 -19.202 20.054 1.00 0.00 C ATOM 607 CE LYS A 41 6.751 -19.810 21.022 1.00 0.00 C ATOM 608 NZ LYS A 41 5.592 -18.874 20.997 1.00 0.00 N ATOM 0 H LYS A 41 8.729 -19.751 15.413 1.00 0.00 H new ATOM 0 HA LYS A 41 10.372 -20.950 17.515 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.662 -18.990 17.589 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.397 -20.189 17.412 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.999 -21.279 19.501 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.511 -20.400 19.607 1.00 0.00 H new ATOM 0 HD2 LYS A 41 8.498 -18.608 20.603 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.267 -18.529 19.359 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.457 -20.812 20.709 1.00 0.00 H new ATOM 0 HE3 LYS A 41 7.165 -19.899 22.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.850 -19.223 21.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.901 -17.930 21.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 5.214 -18.815 20.030 1.00 0.00 H new ATOM 622 N GLY A 42 8.526 -22.941 15.956 1.00 0.00 N ATOM 623 CA GLY A 42 8.032 -24.347 15.926 1.00 0.00 C ATOM 624 C GLY A 42 6.510 -24.358 16.084 1.00 0.00 C ATOM 625 O GLY A 42 5.978 -24.875 17.045 1.00 0.00 O ATOM 0 H GLY A 42 8.553 -22.470 15.052 1.00 0.00 H new ATOM 0 HA2 GLY A 42 8.314 -24.823 14.987 1.00 0.00 H new ATOM 0 HA3 GLY A 42 8.495 -24.923 16.727 1.00 0.00 H new ATOM 629 N ARG A 43 5.804 -23.790 15.144 1.00 0.00 N ATOM 630 CA ARG A 43 4.318 -23.765 15.234 1.00 0.00 C ATOM 631 C ARG A 43 3.714 -23.768 13.829 1.00 0.00 C ATOM 632 O ARG A 43 4.419 -23.683 12.845 1.00 0.00 O ATOM 633 CB ARG A 43 3.996 -22.457 15.953 1.00 0.00 C ATOM 634 CG ARG A 43 2.713 -22.620 16.766 1.00 0.00 C ATOM 635 CD ARG A 43 2.941 -23.636 17.886 1.00 0.00 C ATOM 636 NE ARG A 43 1.989 -23.236 18.961 1.00 0.00 N ATOM 637 CZ ARG A 43 1.759 -24.041 19.962 1.00 0.00 C ATOM 638 NH1 ARG A 43 2.683 -24.877 20.352 1.00 0.00 N ATOM 639 NH2 ARG A 43 0.606 -24.011 20.573 1.00 0.00 N ATOM 0 H ARG A 43 6.195 -23.341 14.316 1.00 0.00 H new ATOM 0 HA ARG A 43 3.913 -24.630 15.759 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.821 -22.178 16.609 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.879 -21.651 15.228 1.00 0.00 H new ATOM 0 HG2 ARG A 43 2.413 -21.660 17.187 1.00 0.00 H new ATOM 0 HG3 ARG A 43 1.901 -22.952 16.120 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.747 -24.653 17.544 1.00 0.00 H new ATOM 0 HD3 ARG A 43 3.972 -23.610 18.240 1.00 0.00 H new ATOM 0 HE ARG A 43 1.517 -22.333 18.914 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.584 -24.901 19.874 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.504 -25.506 21.134 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.116 -23.358 20.268 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.427 -24.641 21.355 1.00 0.00 H new ATOM 653 N GLN A 44 2.418 -23.863 13.721 1.00 0.00 N ATOM 654 CA GLN A 44 1.791 -23.864 12.368 1.00 0.00 C ATOM 655 C GLN A 44 0.405 -23.222 12.421 1.00 0.00 C ATOM 656 O GLN A 44 -0.401 -23.523 13.280 1.00 0.00 O ATOM 657 CB GLN A 44 1.680 -25.335 11.964 1.00 0.00 C ATOM 658 CG GLN A 44 2.951 -26.085 12.376 1.00 0.00 C ATOM 659 CD GLN A 44 2.934 -27.492 11.773 1.00 0.00 C ATOM 660 OE1 GLN A 44 3.962 -28.013 11.390 1.00 0.00 O ATOM 661 NE2 GLN A 44 1.802 -28.134 11.673 1.00 0.00 N ATOM 0 H GLN A 44 1.769 -23.940 14.504 1.00 0.00 H new ATOM 0 HA GLN A 44 2.381 -23.292 11.652 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.810 -25.787 12.440 1.00 0.00 H new ATOM 0 HB3 GLN A 44 1.532 -25.415 10.887 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.833 -25.542 12.035 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.014 -26.145 13.463 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.938 -27.697 11.994 1.00 0.00 H new ATOM 0 HE22 GLN A 44 1.781 -29.072 11.274 1.00 0.00 H new ATOM 670 N VAL A 45 0.122 -22.349 11.499 1.00 0.00 N ATOM 671 CA VAL A 45 -1.214 -21.690 11.473 1.00 0.00 C ATOM 672 C VAL A 45 -2.025 -22.245 10.302 1.00 0.00 C ATOM 673 O VAL A 45 -1.471 -22.687 9.316 1.00 0.00 O ATOM 674 CB VAL A 45 -0.922 -20.202 11.282 1.00 0.00 C ATOM 675 CG1 VAL A 45 -2.226 -19.459 10.987 1.00 0.00 C ATOM 676 CG2 VAL A 45 -0.292 -19.642 12.559 1.00 0.00 C ATOM 0 H VAL A 45 0.760 -22.061 10.758 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.793 -21.865 12.380 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.234 -20.069 10.447 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.017 -18.398 10.851 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.676 -19.860 10.079 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.916 -19.589 11.821 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.082 -18.581 12.426 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.981 -19.774 13.393 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.637 -20.172 12.769 1.00 0.00 H new ATOM 686 N CYS A 46 -3.327 -22.236 10.399 1.00 0.00 N ATOM 687 CA CYS A 46 -4.152 -22.782 9.280 1.00 0.00 C ATOM 688 C CYS A 46 -4.980 -21.672 8.634 1.00 0.00 C ATOM 689 O CYS A 46 -5.669 -20.933 9.303 1.00 0.00 O ATOM 690 CB CYS A 46 -5.068 -23.821 9.930 1.00 0.00 C ATOM 691 SG CYS A 46 -4.428 -25.487 9.614 1.00 0.00 S ATOM 0 H CYS A 46 -3.853 -21.878 11.196 1.00 0.00 H new ATOM 0 HA CYS A 46 -3.535 -23.215 8.492 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -5.131 -23.643 11.004 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.078 -23.728 9.532 1.00 0.00 H new ATOM 696 N ALA A 47 -4.923 -21.553 7.336 1.00 0.00 N ATOM 697 CA ALA A 47 -5.714 -20.492 6.652 1.00 0.00 C ATOM 698 C ALA A 47 -6.499 -21.091 5.482 1.00 0.00 C ATOM 699 O ALA A 47 -6.135 -22.113 4.936 1.00 0.00 O ATOM 700 CB ALA A 47 -4.679 -19.490 6.142 1.00 0.00 C ATOM 0 H ALA A 47 -4.364 -22.144 6.721 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.439 -20.025 7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.186 -18.675 5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.114 -19.090 6.984 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.998 -19.989 5.453 1.00 0.00 H new ATOM 706 N LYS A 48 -7.572 -20.460 5.091 1.00 0.00 N ATOM 707 CA LYS A 48 -8.374 -20.993 3.953 1.00 0.00 C ATOM 708 C LYS A 48 -7.544 -20.955 2.667 1.00 0.00 C ATOM 709 O LYS A 48 -6.424 -20.485 2.667 1.00 0.00 O ATOM 710 CB LYS A 48 -9.577 -20.056 3.843 1.00 0.00 C ATOM 711 CG LYS A 48 -10.833 -20.777 4.335 1.00 0.00 C ATOM 712 CD LYS A 48 -12.023 -20.389 3.453 1.00 0.00 C ATOM 713 CE LYS A 48 -12.636 -21.650 2.840 1.00 0.00 C ATOM 714 NZ LYS A 48 -13.266 -22.364 3.986 1.00 0.00 N ATOM 0 H LYS A 48 -7.928 -19.600 5.509 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.679 -22.028 4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.406 -19.157 4.435 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.709 -19.737 2.809 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.681 -21.856 4.305 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.034 -20.512 5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.770 -19.859 4.044 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.699 -19.709 2.665 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.373 -21.400 2.076 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.876 -22.266 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.078 -22.918 3.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.570 -23.002 4.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.590 -21.671 4.691 1.00 0.00 H new ATOM 728 N PRO A 49 -8.127 -21.450 1.610 1.00 0.00 N ATOM 729 CA PRO A 49 -7.431 -21.469 0.301 1.00 0.00 C ATOM 730 C PRO A 49 -7.349 -20.054 -0.274 1.00 0.00 C ATOM 731 O PRO A 49 -6.403 -19.701 -0.950 1.00 0.00 O ATOM 732 CB PRO A 49 -8.316 -22.361 -0.563 1.00 0.00 C ATOM 733 CG PRO A 49 -9.675 -22.277 0.058 1.00 0.00 C ATOM 734 CD PRO A 49 -9.472 -22.032 1.532 1.00 0.00 C ATOM 0 HA PRO A 49 -6.405 -21.832 0.362 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -8.333 -22.017 -1.597 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.950 -23.388 -0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -10.255 -21.470 -0.391 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -10.232 -23.199 -0.106 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -10.225 -21.353 1.932 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -9.541 -22.957 2.104 1.00 0.00 H new ATOM 742 N SER A 50 -8.334 -19.241 -0.008 1.00 0.00 N ATOM 743 CA SER A 50 -8.315 -17.846 -0.536 1.00 0.00 C ATOM 744 C SER A 50 -8.645 -16.857 0.584 1.00 0.00 C ATOM 745 O SER A 50 -9.325 -15.871 0.376 1.00 0.00 O ATOM 746 CB SER A 50 -9.395 -17.816 -1.617 1.00 0.00 C ATOM 747 OG SER A 50 -9.264 -18.958 -2.449 1.00 0.00 O ATOM 0 H SER A 50 -9.152 -19.482 0.552 1.00 0.00 H new ATOM 0 HA SER A 50 -7.339 -17.565 -0.931 1.00 0.00 H new ATOM 0 HB2 SER A 50 -10.383 -17.799 -1.158 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.304 -16.907 -2.212 1.00 0.00 H new ATOM 0 HG SER A 50 -9.957 -18.940 -3.141 1.00 0.00 H new ATOM 753 N GLY A 51 -8.170 -17.112 1.773 1.00 0.00 N ATOM 754 CA GLY A 51 -8.458 -16.187 2.905 1.00 0.00 C ATOM 755 C GLY A 51 -8.052 -14.764 2.517 1.00 0.00 C ATOM 756 O GLY A 51 -7.039 -14.560 1.877 1.00 0.00 O ATOM 0 H GLY A 51 -7.595 -17.921 2.009 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.519 -16.219 3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.912 -16.503 3.794 1.00 0.00 H new ATOM 760 N PRO A 52 -8.860 -13.825 2.922 1.00 0.00 N ATOM 761 CA PRO A 52 -8.588 -12.399 2.616 1.00 0.00 C ATOM 762 C PRO A 52 -7.368 -11.910 3.401 1.00 0.00 C ATOM 763 O PRO A 52 -7.487 -11.392 4.494 1.00 0.00 O ATOM 764 CB PRO A 52 -9.858 -11.686 3.072 1.00 0.00 C ATOM 765 CG PRO A 52 -10.454 -12.590 4.103 1.00 0.00 C ATOM 766 CD PRO A 52 -10.092 -13.996 3.702 1.00 0.00 C ATOM 0 HA PRO A 52 -8.362 -12.219 1.565 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.633 -10.705 3.489 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.544 -11.529 2.240 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.065 -12.357 5.094 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.536 -12.466 4.148 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.931 -14.632 4.572 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.881 -14.460 3.110 1.00 0.00 H new ATOM 774 N GLY A 53 -6.197 -12.073 2.852 1.00 0.00 N ATOM 775 CA GLY A 53 -4.970 -11.620 3.564 1.00 0.00 C ATOM 776 C GLY A 53 -3.982 -12.784 3.666 1.00 0.00 C ATOM 777 O GLY A 53 -2.793 -12.587 3.804 1.00 0.00 O ATOM 0 H GLY A 53 -6.036 -12.501 1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -4.513 -10.787 3.030 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.227 -11.258 4.560 1.00 0.00 H new ATOM 781 N VAL A 54 -4.466 -13.997 3.602 1.00 0.00 N ATOM 782 CA VAL A 54 -3.549 -15.171 3.695 1.00 0.00 C ATOM 783 C VAL A 54 -2.571 -15.168 2.521 1.00 0.00 C ATOM 784 O VAL A 54 -1.392 -15.411 2.684 1.00 0.00 O ATOM 785 CB VAL A 54 -4.462 -16.396 3.634 1.00 0.00 C ATOM 786 CG1 VAL A 54 -3.614 -17.656 3.448 1.00 0.00 C ATOM 787 CG2 VAL A 54 -5.258 -16.504 4.937 1.00 0.00 C ATOM 0 H VAL A 54 -5.454 -14.225 3.490 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.951 -15.158 4.606 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.150 -16.295 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.265 -18.529 3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.047 -17.579 2.520 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.925 -17.758 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.909 -17.377 4.894 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.570 -16.605 5.776 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -5.862 -15.607 5.070 1.00 0.00 H new ATOM 797 N GLN A 55 -3.047 -14.889 1.340 1.00 0.00 N ATOM 798 CA GLN A 55 -2.128 -14.865 0.167 1.00 0.00 C ATOM 799 C GLN A 55 -1.170 -13.690 0.312 1.00 0.00 C ATOM 800 O GLN A 55 -0.013 -13.768 -0.052 1.00 0.00 O ATOM 801 CB GLN A 55 -3.033 -14.683 -1.052 1.00 0.00 C ATOM 802 CG GLN A 55 -2.173 -14.542 -2.310 1.00 0.00 C ATOM 803 CD GLN A 55 -2.401 -15.746 -3.225 1.00 0.00 C ATOM 804 OE1 GLN A 55 -3.494 -15.955 -3.713 1.00 0.00 O ATOM 805 NE2 GLN A 55 -1.409 -16.554 -3.478 1.00 0.00 N ATOM 0 H GLN A 55 -4.024 -14.678 1.136 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.528 -15.771 0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.704 -15.537 -1.151 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.658 -13.799 -0.925 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.426 -13.621 -2.835 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.120 -14.474 -2.037 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.491 -16.379 -3.069 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -1.551 -17.361 -4.085 1.00 0.00 H new ATOM 814 N ASP A 56 -1.636 -12.606 0.866 1.00 0.00 N ATOM 815 CA ASP A 56 -0.743 -11.437 1.059 1.00 0.00 C ATOM 816 C ASP A 56 0.333 -11.799 2.082 1.00 0.00 C ATOM 817 O ASP A 56 1.451 -11.330 2.015 1.00 0.00 O ATOM 818 CB ASP A 56 -1.644 -10.324 1.592 1.00 0.00 C ATOM 819 CG ASP A 56 -0.871 -9.003 1.599 1.00 0.00 C ATOM 820 OD1 ASP A 56 -0.175 -8.742 0.631 1.00 0.00 O ATOM 821 OD2 ASP A 56 -0.987 -8.276 2.573 1.00 0.00 O ATOM 0 H ASP A 56 -2.595 -12.482 1.192 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.240 -11.131 0.142 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.535 -10.233 0.971 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.982 -10.566 2.600 1.00 0.00 H new ATOM 826 N CYS A 57 0.005 -12.646 3.024 1.00 0.00 N ATOM 827 CA CYS A 57 1.018 -13.046 4.036 1.00 0.00 C ATOM 828 C CYS A 57 2.130 -13.837 3.349 1.00 0.00 C ATOM 829 O CYS A 57 3.301 -13.613 3.585 1.00 0.00 O ATOM 830 CB CYS A 57 0.268 -13.922 5.042 1.00 0.00 C ATOM 831 SG CYS A 57 1.358 -14.351 6.430 1.00 0.00 S ATOM 0 H CYS A 57 -0.915 -13.073 3.133 1.00 0.00 H new ATOM 0 HA CYS A 57 1.480 -12.191 4.529 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -0.612 -13.395 5.410 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -0.086 -14.830 4.553 1.00 0.00 H new ATOM 836 N MET A 58 1.775 -14.756 2.488 1.00 0.00 N ATOM 837 CA MET A 58 2.821 -15.545 1.783 1.00 0.00 C ATOM 838 C MET A 58 3.602 -14.636 0.836 1.00 0.00 C ATOM 839 O MET A 58 4.782 -14.821 0.614 1.00 0.00 O ATOM 840 CB MET A 58 2.068 -16.611 0.993 1.00 0.00 C ATOM 841 CG MET A 58 1.124 -17.372 1.923 1.00 0.00 C ATOM 842 SD MET A 58 0.622 -18.924 1.135 1.00 0.00 S ATOM 843 CE MET A 58 0.115 -18.224 -0.455 1.00 0.00 C ATOM 0 H MET A 58 0.812 -14.991 2.246 1.00 0.00 H new ATOM 0 HA MET A 58 3.536 -15.990 2.475 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.502 -16.147 0.185 1.00 0.00 H new ATOM 0 HB3 MET A 58 2.774 -17.302 0.531 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.619 -17.577 2.872 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.247 -16.764 2.145 1.00 0.00 H new ATOM 0 HE1 MET A 58 -0.643 -18.863 -0.909 1.00 0.00 H new ATOM 0 HE2 MET A 58 -0.297 -17.227 -0.299 1.00 0.00 H new ATOM 0 HE3 MET A 58 0.979 -18.160 -1.116 1.00 0.00 H new ATOM 853 N LYS A 59 2.956 -13.648 0.279 1.00 0.00 N ATOM 854 CA LYS A 59 3.668 -12.727 -0.644 1.00 0.00 C ATOM 855 C LYS A 59 4.733 -11.961 0.140 1.00 0.00 C ATOM 856 O LYS A 59 5.842 -11.771 -0.318 1.00 0.00 O ATOM 857 CB LYS A 59 2.588 -11.778 -1.166 1.00 0.00 C ATOM 858 CG LYS A 59 2.243 -12.144 -2.611 1.00 0.00 C ATOM 859 CD LYS A 59 3.131 -11.342 -3.566 1.00 0.00 C ATOM 860 CE LYS A 59 2.313 -10.918 -4.788 1.00 0.00 C ATOM 861 NZ LYS A 59 3.080 -9.787 -5.385 1.00 0.00 N ATOM 0 H LYS A 59 1.968 -13.441 0.424 1.00 0.00 H new ATOM 0 HA LYS A 59 4.171 -13.244 -1.461 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.698 -11.844 -0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.939 -10.747 -1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.389 -13.212 -2.772 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.192 -11.933 -2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.529 -10.463 -3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.985 -11.944 -3.877 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.204 -11.740 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.308 -10.608 -4.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.584 -9.439 -6.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.162 -9.018 -4.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.030 -10.115 -5.652 1.00 0.00 H new ATOM 875 N LYS A 60 4.407 -11.538 1.330 1.00 0.00 N ATOM 876 CA LYS A 60 5.399 -10.803 2.159 1.00 0.00 C ATOM 877 C LYS A 60 6.505 -11.759 2.613 1.00 0.00 C ATOM 878 O LYS A 60 7.618 -11.353 2.884 1.00 0.00 O ATOM 879 CB LYS A 60 4.609 -10.286 3.363 1.00 0.00 C ATOM 880 CG LYS A 60 4.474 -8.764 3.270 1.00 0.00 C ATOM 881 CD LYS A 60 5.862 -8.124 3.333 1.00 0.00 C ATOM 882 CE LYS A 60 5.718 -6.613 3.531 1.00 0.00 C ATOM 883 NZ LYS A 60 6.351 -6.340 4.854 1.00 0.00 N ATOM 0 H LYS A 60 3.493 -11.671 1.764 1.00 0.00 H new ATOM 0 HA LYS A 60 5.878 -9.991 1.612 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.622 -10.748 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.115 -10.561 4.289 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.977 -8.489 2.340 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.853 -8.393 4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.437 -8.556 4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.412 -8.331 2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.215 -6.060 2.733 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.671 -6.311 3.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.293 -5.323 5.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.853 -6.875 5.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.349 -6.632 4.828 1.00 0.00 H new ATOM 897 N LEU A 61 6.209 -13.031 2.699 1.00 0.00 N ATOM 898 CA LEU A 61 7.247 -14.010 3.136 1.00 0.00 C ATOM 899 C LEU A 61 8.241 -14.272 2.001 1.00 0.00 C ATOM 900 O LEU A 61 9.155 -15.061 2.133 1.00 0.00 O ATOM 901 CB LEU A 61 6.475 -15.287 3.484 1.00 0.00 C ATOM 902 CG LEU A 61 5.737 -15.099 4.814 1.00 0.00 C ATOM 903 CD1 LEU A 61 5.201 -16.449 5.296 1.00 0.00 C ATOM 904 CD2 LEU A 61 6.698 -14.534 5.862 1.00 0.00 C ATOM 0 H LEU A 61 5.296 -13.432 2.486 1.00 0.00 H new ATOM 0 HA LEU A 61 7.825 -13.644 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.763 -15.520 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.162 -16.131 3.554 1.00 0.00 H new ATOM 0 HG LEU A 61 4.908 -14.406 4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 61 4.676 -16.315 6.242 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.513 -16.854 4.553 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.031 -17.141 5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.170 -14.402 6.806 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.528 -15.226 6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.081 -13.572 5.523 1.00 0.00 H new ATOM 916 N LYS A 62 8.072 -13.614 0.887 1.00 0.00 N ATOM 917 CA LYS A 62 9.007 -13.824 -0.254 1.00 0.00 C ATOM 918 C LYS A 62 9.782 -12.535 -0.546 1.00 0.00 C ATOM 919 O LYS A 62 9.483 -11.830 -1.489 1.00 0.00 O ATOM 920 CB LYS A 62 8.110 -14.194 -1.436 1.00 0.00 C ATOM 921 CG LYS A 62 8.967 -14.398 -2.686 1.00 0.00 C ATOM 922 CD LYS A 62 8.260 -15.367 -3.634 1.00 0.00 C ATOM 923 CE LYS A 62 8.099 -14.712 -5.007 1.00 0.00 C ATOM 924 NZ LYS A 62 8.456 -15.780 -5.982 1.00 0.00 N ATOM 0 H LYS A 62 7.326 -12.939 0.718 1.00 0.00 H new ATOM 0 HA LYS A 62 9.747 -14.597 -0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.553 -15.104 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.377 -13.406 -1.610 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.136 -13.443 -3.184 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.945 -14.791 -2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.835 -16.289 -3.724 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.284 -15.638 -3.232 1.00 0.00 H new ATOM 0 HE2 LYS A 62 7.079 -14.361 -5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.753 -13.846 -5.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.370 -15.409 -6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.435 -16.089 -5.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.812 -16.588 -5.863 1.00 0.00 H new ATOM 938 N PRO A 63 10.755 -12.274 0.282 1.00 0.00 N ATOM 939 CA PRO A 63 11.587 -11.058 0.127 1.00 0.00 C ATOM 940 C PRO A 63 12.609 -11.244 -1.000 1.00 0.00 C ATOM 941 O PRO A 63 13.778 -11.470 -0.758 1.00 0.00 O ATOM 942 CB PRO A 63 12.291 -10.933 1.473 1.00 0.00 C ATOM 943 CG PRO A 63 12.322 -12.323 2.033 1.00 0.00 C ATOM 944 CD PRO A 63 11.163 -13.082 1.436 1.00 0.00 C ATOM 0 HA PRO A 63 11.004 -10.174 -0.132 1.00 0.00 H new ATOM 0 HB2 PRO A 63 13.298 -10.534 1.355 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.755 -10.254 2.136 1.00 0.00 H new ATOM 0 HG2 PRO A 63 13.265 -12.812 1.791 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.245 -12.300 3.120 1.00 0.00 H new ATOM 0 HD2 PRO A 63 11.459 -14.086 1.133 1.00 0.00 H new ATOM 0 HD3 PRO A 63 10.349 -13.192 2.152 1.00 0.00 H new ATOM 952 N TYR A 64 12.180 -11.147 -2.228 1.00 0.00 N ATOM 953 CA TYR A 64 13.131 -11.315 -3.366 1.00 0.00 C ATOM 954 C TYR A 64 12.707 -10.435 -4.544 1.00 0.00 C ATOM 955 O TYR A 64 12.705 -10.863 -5.681 1.00 0.00 O ATOM 956 CB TYR A 64 13.048 -12.794 -3.737 1.00 0.00 C ATOM 957 CG TYR A 64 14.245 -13.522 -3.170 1.00 0.00 C ATOM 958 CD1 TYR A 64 15.518 -13.299 -3.709 1.00 0.00 C ATOM 959 CD2 TYR A 64 14.081 -14.416 -2.107 1.00 0.00 C ATOM 960 CE1 TYR A 64 16.628 -13.972 -3.183 1.00 0.00 C ATOM 961 CE2 TYR A 64 15.191 -15.089 -1.581 1.00 0.00 C ATOM 962 CZ TYR A 64 16.464 -14.867 -2.120 1.00 0.00 C ATOM 963 OH TYR A 64 17.558 -15.530 -1.601 1.00 0.00 O ATOM 0 H TYR A 64 11.213 -10.959 -2.494 1.00 0.00 H new ATOM 0 HA TYR A 64 14.147 -11.020 -3.103 1.00 0.00 H new ATOM 0 HB2 TYR A 64 12.127 -13.227 -3.347 1.00 0.00 H new ATOM 0 HB3 TYR A 64 13.019 -12.907 -4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 64 15.644 -12.608 -4.530 1.00 0.00 H new ATOM 0 HD2 TYR A 64 13.099 -14.587 -1.692 1.00 0.00 H new ATOM 0 HE1 TYR A 64 17.610 -13.800 -3.598 1.00 0.00 H new ATOM 0 HE2 TYR A 64 15.065 -15.779 -0.760 1.00 0.00 H new ATOM 0 HH TYR A 64 17.270 -16.112 -0.867 1.00 0.00 H new ATOM 973 N SER A 65 12.348 -9.208 -4.280 1.00 0.00 N ATOM 974 CA SER A 65 11.925 -8.299 -5.383 1.00 0.00 C ATOM 975 C SER A 65 12.723 -6.994 -5.326 1.00 0.00 C ATOM 976 O SER A 65 12.770 -6.327 -4.311 1.00 0.00 O ATOM 977 CB SER A 65 10.441 -8.034 -5.130 1.00 0.00 C ATOM 978 OG SER A 65 10.294 -6.821 -4.406 1.00 0.00 O ATOM 0 H SER A 65 12.329 -8.796 -3.347 1.00 0.00 H new ATOM 0 HA SER A 65 12.098 -8.734 -6.368 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.905 -7.972 -6.077 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.003 -8.860 -4.569 1.00 0.00 H new ATOM 0 HG SER A 65 11.123 -6.628 -3.920 1.00 0.00 H new ATOM 984 N ILE A 66 13.354 -6.627 -6.407 1.00 0.00 N ATOM 985 CA ILE A 66 14.151 -5.366 -6.416 1.00 0.00 C ATOM 986 C ILE A 66 13.265 -4.181 -6.811 1.00 0.00 C ATOM 987 O ILE A 66 12.089 -4.212 -6.486 1.00 0.00 O ATOM 988 CB ILE A 66 15.240 -5.594 -7.465 1.00 0.00 C ATOM 989 CG1 ILE A 66 14.589 -5.897 -8.818 1.00 0.00 C ATOM 990 CG2 ILE A 66 16.114 -6.778 -7.044 1.00 0.00 C ATOM 991 CD1 ILE A 66 15.621 -5.718 -9.933 1.00 0.00 C ATOM 992 OXT ILE A 66 13.778 -3.265 -7.432 1.00 0.00 O ATOM 0 H ILE A 66 13.353 -7.145 -7.285 1.00 0.00 H new ATOM 0 HA ILE A 66 14.570 -5.136 -5.436 1.00 0.00 H new ATOM 0 HB ILE A 66 15.856 -4.699 -7.550 1.00 0.00 H new ATOM 0 HG12 ILE A 66 14.201 -6.916 -8.827 1.00 0.00 H new ATOM 0 HG13 ILE A 66 13.741 -5.232 -8.983 1.00 0.00 H new ATOM 0 HG21 ILE A 66 16.890 -6.941 -7.791 1.00 0.00 H new ATOM 0 HG22 ILE A 66 16.577 -6.564 -6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 66 15.498 -7.673 -6.960 1.00 0.00 H new ATOM 0 HD11 ILE A 66 15.158 -5.934 -10.896 1.00 0.00 H new ATOM 0 HD12 ILE A 66 15.987 -4.691 -9.928 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.455 -6.401 -9.770 1.00 0.00 H new TER 1004 ILE A 66