USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 522 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 20 ASN : amide:sc= -0.677 K(o=-1.5,f=0.089) USER MOD Set 1.2: A 24 ASN : amide:sc= -0.805 K(o=-1.5,f=-0.65) USER MOD Single : A 2 SER OG : rot 34:sc= 0.617 USER MOD Single : A 3 SER OG : rot 67:sc= 1.44 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 180:sc= -0.573 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 10 THR OG1 : rot -87:sc= 1.11 USER MOD Single : A 16 SER OG : rot 29:sc= 0.0245 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.529 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0476 X(o=-0.048,f=-0.28) USER MOD Single : A 53 GLN : amide:sc= -0.227 K(o=-0.23,f=-0.86) USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -13.492 -1.997 8.734 1.00 1.24 N ATOM 18 CA SER A 2 -12.118 -1.533 8.594 1.00 0.91 C ATOM 19 C SER A 2 -11.151 -2.661 8.964 1.00 0.74 C ATOM 20 O SER A 2 -11.266 -3.184 10.072 1.00 1.11 O ATOM 21 CB SER A 2 -11.877 -0.334 9.518 1.00 1.44 C ATOM 22 OG SER A 2 -12.168 -0.686 10.860 1.00 2.63 O ATOM 0 HA SER A 2 -11.948 -1.233 7.560 1.00 0.91 H new ATOM 0 HB2 SER A 2 -10.841 -0.005 9.437 1.00 1.44 H new ATOM 0 HB3 SER A 2 -12.503 0.504 9.210 1.00 1.44 H new ATOM 0 HG SER A 2 -11.925 -1.623 11.012 1.00 2.63 H new ATOM 28 N SER A 3 -10.187 -2.991 8.103 1.00 0.60 N ATOM 29 CA SER A 3 -9.192 -4.032 8.332 1.00 0.56 C ATOM 30 C SER A 3 -7.796 -3.502 7.992 1.00 0.48 C ATOM 31 O SER A 3 -7.668 -2.491 7.304 1.00 0.52 O ATOM 32 CB SER A 3 -9.560 -5.268 7.503 1.00 0.80 C ATOM 33 OG SER A 3 -9.877 -4.893 6.179 1.00 2.15 O ATOM 0 H SER A 3 -10.077 -2.526 7.202 1.00 0.60 H new ATOM 0 HA SER A 3 -9.180 -4.322 9.383 1.00 0.56 H new ATOM 0 HB2 SER A 3 -8.728 -5.973 7.499 1.00 0.80 H new ATOM 0 HB3 SER A 3 -10.409 -5.779 7.957 1.00 0.80 H new ATOM 0 HG SER A 3 -9.071 -4.560 5.731 1.00 2.15 H new ATOM 39 N LYS A 4 -6.746 -4.149 8.508 1.00 0.47 N ATOM 40 CA LYS A 4 -5.365 -3.827 8.172 1.00 0.52 C ATOM 41 C LYS A 4 -4.949 -4.678 6.977 1.00 0.52 C ATOM 42 O LYS A 4 -4.852 -5.891 7.113 1.00 0.91 O ATOM 43 CB LYS A 4 -4.438 -4.103 9.362 1.00 0.67 C ATOM 44 CG LYS A 4 -4.719 -3.174 10.551 1.00 1.35 C ATOM 45 CD LYS A 4 -3.625 -3.378 11.608 1.00 1.69 C ATOM 46 CE LYS A 4 -3.889 -2.525 12.857 1.00 2.78 C ATOM 47 NZ LYS A 4 -2.808 -2.663 13.856 1.00 3.26 N ATOM 0 H LYS A 4 -6.837 -4.916 9.175 1.00 0.47 H new ATOM 0 HA LYS A 4 -5.287 -2.768 7.926 1.00 0.52 H new ATOM 0 HB2 LYS A 4 -4.556 -5.139 9.678 1.00 0.67 H new ATOM 0 HB3 LYS A 4 -3.401 -3.982 9.047 1.00 0.67 H new ATOM 0 HG2 LYS A 4 -4.737 -2.135 10.222 1.00 1.35 H new ATOM 0 HG3 LYS A 4 -5.699 -3.391 10.976 1.00 1.35 H new ATOM 0 HD2 LYS A 4 -3.578 -4.431 11.887 1.00 1.69 H new ATOM 0 HD3 LYS A 4 -2.655 -3.117 11.185 1.00 1.69 H new ATOM 0 HE2 LYS A 4 -3.985 -1.478 12.568 1.00 2.78 H new ATOM 0 HE3 LYS A 4 -4.838 -2.821 13.305 1.00 2.78 H new ATOM 0 HZ1 LYS A 4 -3.023 -2.072 14.684 1.00 3.26 H new ATOM 0 HZ2 LYS A 4 -2.732 -3.658 14.151 1.00 3.26 H new ATOM 0 HZ3 LYS A 4 -1.907 -2.357 13.437 1.00 3.26 H new ATOM 61 N CYS A 5 -4.688 -4.062 5.823 1.00 0.42 N ATOM 62 CA CYS A 5 -4.159 -4.779 4.675 1.00 0.48 C ATOM 63 C CYS A 5 -2.648 -4.873 4.838 1.00 0.42 C ATOM 64 O CYS A 5 -1.976 -3.849 4.984 1.00 0.47 O ATOM 65 CB CYS A 5 -4.479 -4.044 3.376 1.00 0.68 C ATOM 66 SG CYS A 5 -4.340 -5.225 2.029 1.00 1.60 S ATOM 0 H CYS A 5 -4.837 -3.065 5.664 1.00 0.42 H new ATOM 0 HA CYS A 5 -4.613 -5.769 4.625 1.00 0.48 H new ATOM 0 HB2 CYS A 5 -5.484 -3.623 3.413 1.00 0.68 H new ATOM 0 HB3 CYS A 5 -3.790 -3.212 3.228 1.00 0.68 H new ATOM 0 HG CYS A 5 -4.609 -4.633 0.903 1.00 1.60 H new ATOM 72 N TYR A 6 -2.104 -6.087 4.843 1.00 0.41 N ATOM 73 CA TYR A 6 -0.668 -6.278 4.951 1.00 0.40 C ATOM 74 C TYR A 6 -0.138 -6.329 3.528 1.00 0.40 C ATOM 75 O TYR A 6 -0.543 -7.194 2.763 1.00 0.58 O ATOM 76 CB TYR A 6 -0.360 -7.569 5.724 1.00 0.55 C ATOM 77 CG TYR A 6 0.418 -7.349 7.005 1.00 0.70 C ATOM 78 CD1 TYR A 6 -0.212 -6.776 8.124 1.00 1.91 C ATOM 79 CD2 TYR A 6 1.778 -7.699 7.069 1.00 1.97 C ATOM 80 CE1 TYR A 6 0.507 -6.593 9.320 1.00 2.24 C ATOM 81 CE2 TYR A 6 2.496 -7.516 8.263 1.00 2.18 C ATOM 82 CZ TYR A 6 1.859 -6.971 9.389 1.00 1.65 C ATOM 83 OH TYR A 6 2.561 -6.819 10.547 1.00 2.19 O ATOM 0 H TYR A 6 -2.640 -6.952 4.773 1.00 0.41 H new ATOM 0 HA TYR A 6 -0.190 -5.469 5.504 1.00 0.40 H new ATOM 0 HB2 TYR A 6 -1.298 -8.070 5.962 1.00 0.55 H new ATOM 0 HB3 TYR A 6 0.205 -8.241 5.078 1.00 0.55 H new ATOM 0 HD1 TYR A 6 -1.248 -6.476 8.066 1.00 1.91 H new ATOM 0 HD2 TYR A 6 2.271 -8.109 6.200 1.00 1.97 H new ATOM 0 HE1 TYR A 6 0.021 -6.163 10.183 1.00 2.24 H new ATOM 0 HE2 TYR A 6 3.538 -7.795 8.314 1.00 2.18 H new ATOM 0 HH TYR A 6 3.480 -7.133 10.416 1.00 2.19 H new ATOM 93 N ILE A 7 0.738 -5.410 3.142 1.00 0.32 N ATOM 94 CA ILE A 7 1.344 -5.414 1.820 1.00 0.31 C ATOM 95 C ILE A 7 2.856 -5.426 2.046 1.00 0.38 C ATOM 96 O ILE A 7 3.325 -5.056 3.125 1.00 0.41 O ATOM 97 CB ILE A 7 0.802 -4.237 0.971 1.00 0.37 C ATOM 98 CG1 ILE A 7 -0.717 -4.072 1.199 1.00 0.60 C ATOM 99 CG2 ILE A 7 1.081 -4.450 -0.528 1.00 0.32 C ATOM 100 CD1 ILE A 7 -1.408 -3.130 0.210 1.00 0.77 C ATOM 0 H ILE A 7 1.047 -4.642 3.738 1.00 0.32 H new ATOM 0 HA ILE A 7 1.085 -6.292 1.228 1.00 0.31 H new ATOM 0 HB ILE A 7 1.319 -3.332 1.289 1.00 0.37 H new ATOM 0 HG12 ILE A 7 -1.189 -5.052 1.138 1.00 0.60 H new ATOM 0 HG13 ILE A 7 -0.882 -3.701 2.211 1.00 0.60 H new ATOM 0 HG21 ILE A 7 0.688 -3.606 -1.095 1.00 0.32 H new ATOM 0 HG22 ILE A 7 2.156 -4.527 -0.691 1.00 0.32 H new ATOM 0 HG23 ILE A 7 0.597 -5.368 -0.861 1.00 0.32 H new ATOM 0 HD11 ILE A 7 -2.471 -3.073 0.444 1.00 0.77 H new ATOM 0 HD12 ILE A 7 -0.967 -2.136 0.285 1.00 0.77 H new ATOM 0 HD13 ILE A 7 -1.279 -3.509 -0.804 1.00 0.77 H new ATOM 112 N GLN A 8 3.631 -5.897 1.069 1.00 0.59 N ATOM 113 CA GLN A 8 5.085 -5.806 1.089 1.00 0.73 C ATOM 114 C GLN A 8 5.536 -5.404 -0.316 1.00 0.75 C ATOM 115 O GLN A 8 4.781 -5.606 -1.270 1.00 0.66 O ATOM 116 CB GLN A 8 5.721 -7.118 1.585 1.00 0.86 C ATOM 117 CG GLN A 8 4.981 -7.698 2.804 1.00 2.02 C ATOM 118 CD GLN A 8 5.678 -8.903 3.425 1.00 1.83 C ATOM 119 OE1 GLN A 8 6.727 -9.344 2.970 1.00 1.28 O ATOM 120 NE2 GLN A 8 5.101 -9.441 4.498 1.00 3.37 N ATOM 0 H GLN A 8 3.261 -6.355 0.236 1.00 0.59 H new ATOM 0 HA GLN A 8 5.422 -5.049 1.798 1.00 0.73 H new ATOM 0 HB2 GLN A 8 5.717 -7.850 0.777 1.00 0.86 H new ATOM 0 HB3 GLN A 8 6.764 -6.938 1.847 1.00 0.86 H new ATOM 0 HG2 GLN A 8 4.877 -6.919 3.560 1.00 2.02 H new ATOM 0 HG3 GLN A 8 3.974 -7.987 2.504 1.00 2.02 H new ATOM 0 HE21 GLN A 8 4.228 -9.054 4.856 1.00 3.37 H new ATOM 0 HE22 GLN A 8 5.532 -10.240 4.962 1.00 3.37 H new ATOM 129 N VAL A 9 6.716 -4.783 -0.428 1.00 0.88 N ATOM 130 CA VAL A 9 7.221 -4.196 -1.666 1.00 0.99 C ATOM 131 C VAL A 9 8.723 -4.457 -1.767 1.00 1.09 C ATOM 132 O VAL A 9 9.464 -4.263 -0.805 1.00 1.37 O ATOM 133 CB VAL A 9 6.922 -2.684 -1.710 1.00 1.07 C ATOM 134 CG1 VAL A 9 7.590 -2.019 -2.924 1.00 1.97 C ATOM 135 CG2 VAL A 9 5.413 -2.418 -1.779 1.00 2.07 C ATOM 0 H VAL A 9 7.357 -4.674 0.358 1.00 0.88 H new ATOM 0 HA VAL A 9 6.720 -4.657 -2.517 1.00 0.99 H new ATOM 0 HB VAL A 9 7.326 -2.258 -0.792 1.00 1.07 H new ATOM 0 HG11 VAL A 9 7.361 -0.953 -2.927 1.00 1.97 H new ATOM 0 HG12 VAL A 9 8.670 -2.158 -2.867 1.00 1.97 H new ATOM 0 HG13 VAL A 9 7.214 -2.474 -3.841 1.00 1.97 H new ATOM 0 HG21 VAL A 9 5.234 -1.343 -1.809 1.00 2.07 H new ATOM 0 HG22 VAL A 9 5.003 -2.879 -2.677 1.00 2.07 H new ATOM 0 HG23 VAL A 9 4.928 -2.842 -0.900 1.00 2.07 H new ATOM 145 N THR A 10 9.175 -4.872 -2.948 1.00 1.04 N ATOM 146 CA THR A 10 10.527 -5.332 -3.209 1.00 1.14 C ATOM 147 C THR A 10 11.425 -4.195 -3.707 1.00 1.11 C ATOM 148 O THR A 10 12.082 -4.308 -4.738 1.00 1.09 O ATOM 149 CB THR A 10 10.409 -6.519 -4.180 1.00 1.43 C ATOM 150 OG1 THR A 10 9.425 -6.240 -5.167 1.00 2.31 O ATOM 151 CG2 THR A 10 9.977 -7.776 -3.417 1.00 1.85 C ATOM 0 H THR A 10 8.583 -4.896 -3.778 1.00 1.04 H new ATOM 0 HA THR A 10 11.022 -5.669 -2.298 1.00 1.14 H new ATOM 0 HB THR A 10 11.379 -6.679 -4.650 1.00 1.43 H new ATOM 0 HG1 THR A 10 8.544 -6.518 -4.839 1.00 2.31 H new ATOM 0 HG21 THR A 10 9.895 -8.613 -4.111 1.00 1.85 H new ATOM 0 HG22 THR A 10 10.717 -8.010 -2.652 1.00 1.85 H new ATOM 0 HG23 THR A 10 9.010 -7.601 -2.945 1.00 1.85 H new ATOM 218 N SER A 16 12.911 7.240 -2.274 1.00 1.41 N ATOM 219 CA SER A 16 11.498 7.570 -2.297 1.00 1.57 C ATOM 220 C SER A 16 10.762 6.543 -3.156 1.00 1.81 C ATOM 221 O SER A 16 10.925 6.519 -4.374 1.00 3.12 O ATOM 222 CB SER A 16 11.293 8.986 -2.839 1.00 2.03 C ATOM 223 OG SER A 16 11.886 9.941 -1.979 1.00 1.75 O ATOM 0 HA SER A 16 11.096 7.541 -1.284 1.00 1.57 H new ATOM 0 HB2 SER A 16 11.728 9.066 -3.835 1.00 2.03 H new ATOM 0 HB3 SER A 16 10.227 9.192 -2.939 1.00 2.03 H new ATOM 0 HG SER A 16 12.649 9.536 -1.517 1.00 1.75 H new ATOM 229 N CYS A 17 9.938 5.709 -2.520 1.00 1.17 N ATOM 230 CA CYS A 17 8.950 4.869 -3.194 1.00 1.35 C ATOM 231 C CYS A 17 7.637 4.926 -2.411 1.00 1.16 C ATOM 232 O CYS A 17 6.595 5.297 -2.952 1.00 1.25 O ATOM 233 CB CYS A 17 9.456 3.431 -3.423 1.00 1.49 C ATOM 234 SG CYS A 17 9.869 2.538 -1.901 1.00 3.60 S ATOM 0 H CYS A 17 9.939 5.597 -1.506 1.00 1.17 H new ATOM 0 HA CYS A 17 8.773 5.259 -4.196 1.00 1.35 H new ATOM 0 HB2 CYS A 17 8.693 2.871 -3.964 1.00 1.49 H new ATOM 0 HB3 CYS A 17 10.339 3.466 -4.062 1.00 1.49 H new ATOM 0 HG CYS A 17 10.281 1.341 -2.198 1.00 3.60 H new ATOM 240 N VAL A 18 7.702 4.625 -1.114 1.00 0.93 N ATOM 241 CA VAL A 18 6.554 4.550 -0.235 1.00 0.79 C ATOM 242 C VAL A 18 5.815 5.885 -0.199 1.00 0.74 C ATOM 243 O VAL A 18 4.610 5.907 -0.387 1.00 0.75 O ATOM 244 CB VAL A 18 7.017 4.056 1.145 1.00 0.68 C ATOM 245 CG1 VAL A 18 5.997 4.370 2.236 1.00 1.96 C ATOM 246 CG2 VAL A 18 7.317 2.554 1.082 1.00 1.79 C ATOM 0 H VAL A 18 8.583 4.422 -0.641 1.00 0.93 H new ATOM 0 HA VAL A 18 5.827 3.829 -0.609 1.00 0.79 H new ATOM 0 HB VAL A 18 7.930 4.590 1.409 1.00 0.68 H new ATOM 0 HG11 VAL A 18 6.365 4.003 3.194 1.00 1.96 H new ATOM 0 HG12 VAL A 18 5.846 5.448 2.294 1.00 1.96 H new ATOM 0 HG13 VAL A 18 5.051 3.883 2.000 1.00 1.96 H new ATOM 0 HG21 VAL A 18 7.645 2.207 2.062 1.00 1.79 H new ATOM 0 HG22 VAL A 18 6.416 2.015 0.789 1.00 1.79 H new ATOM 0 HG23 VAL A 18 8.104 2.370 0.350 1.00 1.79 H new ATOM 256 N ALA A 19 6.530 6.991 0.001 1.00 0.77 N ATOM 257 CA ALA A 19 5.962 8.327 0.179 1.00 0.78 C ATOM 258 C ALA A 19 4.863 8.678 -0.838 1.00 0.76 C ATOM 259 O ALA A 19 3.877 9.331 -0.496 1.00 0.67 O ATOM 260 CB ALA A 19 7.092 9.360 0.122 1.00 0.88 C ATOM 0 H ALA A 19 7.549 6.982 0.045 1.00 0.77 H new ATOM 0 HA ALA A 19 5.473 8.340 1.153 1.00 0.78 H new ATOM 0 HB1 ALA A 19 6.678 10.360 0.254 1.00 0.88 H new ATOM 0 HB2 ALA A 19 7.811 9.157 0.916 1.00 0.88 H new ATOM 0 HB3 ALA A 19 7.592 9.299 -0.844 1.00 0.88 H new ATOM 266 N ASN A 20 5.028 8.264 -2.098 1.00 0.87 N ATOM 267 CA ASN A 20 4.014 8.495 -3.122 1.00 0.89 C ATOM 268 C ASN A 20 2.790 7.619 -2.846 1.00 0.85 C ATOM 269 O ASN A 20 1.661 8.104 -2.745 1.00 0.87 O ATOM 270 CB ASN A 20 4.602 8.209 -4.507 1.00 0.98 C ATOM 271 CG ASN A 20 3.604 8.546 -5.610 1.00 0.94 C ATOM 272 OD1 ASN A 20 3.205 9.696 -5.754 1.00 1.14 O ATOM 273 ND2 ASN A 20 3.208 7.565 -6.416 1.00 1.27 N ATOM 0 H ASN A 20 5.855 7.768 -2.430 1.00 0.87 H new ATOM 0 HA ASN A 20 3.697 9.538 -3.097 1.00 0.89 H new ATOM 0 HB2 ASN A 20 5.512 8.792 -4.646 1.00 0.98 H new ATOM 0 HB3 ASN A 20 4.883 7.158 -4.576 1.00 0.98 H new ATOM 0 HD21 ASN A 20 2.557 7.761 -7.176 1.00 1.27 H new ATOM 0 HD22 ASN A 20 3.556 6.617 -6.274 1.00 1.27 H new ATOM 280 N ILE A 21 3.044 6.314 -2.701 1.00 0.81 N ATOM 281 CA ILE A 21 2.043 5.315 -2.360 1.00 0.80 C ATOM 282 C ILE A 21 1.266 5.749 -1.105 1.00 0.76 C ATOM 283 O ILE A 21 0.048 5.588 -1.086 1.00 0.93 O ATOM 284 CB ILE A 21 2.710 3.928 -2.214 1.00 0.77 C ATOM 285 CG1 ILE A 21 3.314 3.390 -3.528 1.00 0.77 C ATOM 286 CG2 ILE A 21 1.698 2.913 -1.692 1.00 0.87 C ATOM 287 CD1 ILE A 21 4.426 2.368 -3.255 1.00 1.99 C ATOM 0 H ILE A 21 3.977 5.920 -2.822 1.00 0.81 H new ATOM 0 HA ILE A 21 1.312 5.230 -3.164 1.00 0.80 H new ATOM 0 HB ILE A 21 3.531 4.064 -1.510 1.00 0.77 H new ATOM 0 HG12 ILE A 21 2.531 2.926 -4.127 1.00 0.77 H new ATOM 0 HG13 ILE A 21 3.714 4.218 -4.112 1.00 0.77 H new ATOM 0 HG21 ILE A 21 2.178 1.939 -1.593 1.00 0.87 H new ATOM 0 HG22 ILE A 21 1.327 3.236 -0.719 1.00 0.87 H new ATOM 0 HG23 ILE A 21 0.865 2.838 -2.391 1.00 0.87 H new ATOM 0 HD11 ILE A 21 4.830 2.009 -4.201 1.00 1.99 H new ATOM 0 HD12 ILE A 21 5.220 2.840 -2.677 1.00 1.99 H new ATOM 0 HD13 ILE A 21 4.018 1.528 -2.692 1.00 1.99 H new ATOM 299 N GLU A 22 1.931 6.308 -0.080 1.00 0.61 N ATOM 300 CA GLU A 22 1.283 6.871 1.091 1.00 0.60 C ATOM 301 C GLU A 22 0.173 7.818 0.652 1.00 0.75 C ATOM 302 O GLU A 22 -0.973 7.416 0.681 1.00 0.98 O ATOM 303 CB GLU A 22 2.266 7.591 2.023 1.00 0.61 C ATOM 304 CG GLU A 22 3.099 6.652 2.898 1.00 0.61 C ATOM 305 CD GLU A 22 3.954 7.469 3.858 1.00 0.93 C ATOM 306 OE1 GLU A 22 3.341 8.232 4.637 1.00 2.22 O ATOM 307 OE2 GLU A 22 5.193 7.361 3.763 1.00 1.55 O ATOM 0 H GLU A 22 2.948 6.377 -0.052 1.00 0.61 H new ATOM 0 HA GLU A 22 0.862 6.045 1.663 1.00 0.60 H new ATOM 0 HB2 GLU A 22 2.939 8.202 1.422 1.00 0.61 H new ATOM 0 HB3 GLU A 22 1.708 8.271 2.667 1.00 0.61 H new ATOM 0 HG2 GLU A 22 2.444 5.984 3.457 1.00 0.61 H new ATOM 0 HG3 GLU A 22 3.735 6.025 2.273 1.00 0.61 H new ATOM 314 N ARG A 23 0.477 9.056 0.259 1.00 0.80 N ATOM 315 CA ARG A 23 -0.511 10.039 -0.184 1.00 1.01 C ATOM 316 C ARG A 23 -1.606 9.436 -1.069 1.00 1.08 C ATOM 317 O ARG A 23 -2.782 9.721 -0.837 1.00 1.44 O ATOM 318 CB ARG A 23 0.155 11.241 -0.866 1.00 1.21 C ATOM 319 CG ARG A 23 0.767 12.208 0.163 1.00 1.40 C ATOM 320 CD ARG A 23 0.549 13.674 -0.237 1.00 1.61 C ATOM 321 NE ARG A 23 1.334 14.040 -1.426 1.00 2.40 N ATOM 322 CZ ARG A 23 1.308 15.250 -2.012 1.00 3.17 C ATOM 323 NH1 ARG A 23 0.439 16.176 -1.590 1.00 3.46 N ATOM 324 NH2 ARG A 23 2.152 15.531 -3.011 1.00 4.40 N ATOM 0 H ARG A 23 1.434 9.409 0.240 1.00 0.80 H new ATOM 0 HA ARG A 23 -1.007 10.394 0.720 1.00 1.01 H new ATOM 0 HB2 ARG A 23 0.933 10.890 -1.544 1.00 1.21 H new ATOM 0 HB3 ARG A 23 -0.581 11.771 -1.471 1.00 1.21 H new ATOM 0 HG2 ARG A 23 0.322 12.028 1.142 1.00 1.40 H new ATOM 0 HG3 ARG A 23 1.835 12.011 0.257 1.00 1.40 H new ATOM 0 HD2 ARG A 23 -0.510 13.843 -0.435 1.00 1.61 H new ATOM 0 HD3 ARG A 23 0.826 14.322 0.594 1.00 1.61 H new ATOM 0 HE ARG A 23 1.939 13.327 -1.834 1.00 2.40 H new ATOM 0 HH11 ARG A 23 -0.202 15.963 -0.825 1.00 3.46 H new ATOM 0 HH12 ARG A 23 0.417 17.095 -2.033 1.00 3.46 H new ATOM 0 HH21 ARG A 23 2.817 14.827 -3.330 1.00 4.40 H new ATOM 0 HH22 ARG A 23 2.130 16.450 -3.454 1.00 4.40 H new ATOM 338 N ASN A 24 -1.237 8.608 -2.054 1.00 0.86 N ATOM 339 CA ASN A 24 -2.216 7.899 -2.876 1.00 0.97 C ATOM 340 C ASN A 24 -3.238 7.191 -1.980 1.00 0.94 C ATOM 341 O ASN A 24 -4.430 7.495 -2.005 1.00 1.05 O ATOM 342 CB ASN A 24 -1.521 6.878 -3.792 1.00 1.10 C ATOM 343 CG ASN A 24 -0.528 7.494 -4.768 1.00 1.38 C ATOM 344 OD1 ASN A 24 -0.543 8.693 -5.028 1.00 2.32 O ATOM 345 ND2 ASN A 24 0.363 6.668 -5.306 1.00 1.97 N ATOM 0 H ASN A 24 -0.266 8.415 -2.299 1.00 0.86 H new ATOM 0 HA ASN A 24 -2.732 8.627 -3.502 1.00 0.97 H new ATOM 0 HB2 ASN A 24 -1.000 6.147 -3.174 1.00 1.10 H new ATOM 0 HB3 ASN A 24 -2.280 6.336 -4.356 1.00 1.10 H new ATOM 0 HD21 ASN A 24 1.062 7.026 -5.957 1.00 1.97 H new ATOM 0 HD22 ASN A 24 0.348 5.676 -5.068 1.00 1.97 H new ATOM 352 N LEU A 25 -2.755 6.271 -1.147 1.00 0.86 N ATOM 353 CA LEU A 25 -3.591 5.522 -0.227 1.00 0.82 C ATOM 354 C LEU A 25 -4.283 6.457 0.771 1.00 0.73 C ATOM 355 O LEU A 25 -5.476 6.319 0.993 1.00 0.98 O ATOM 356 CB LEU A 25 -2.760 4.414 0.438 1.00 0.85 C ATOM 357 CG LEU A 25 -2.730 3.110 -0.384 1.00 1.18 C ATOM 358 CD1 LEU A 25 -2.491 3.286 -1.891 1.00 1.55 C ATOM 359 CD2 LEU A 25 -1.623 2.206 0.163 1.00 1.87 C ATOM 0 H LEU A 25 -1.766 6.027 -1.096 1.00 0.86 H new ATOM 0 HA LEU A 25 -4.397 5.031 -0.772 1.00 0.82 H new ATOM 0 HB2 LEU A 25 -1.740 4.770 0.583 1.00 0.85 H new ATOM 0 HB3 LEU A 25 -3.168 4.205 1.427 1.00 0.85 H new ATOM 0 HG LEU A 25 -3.727 2.681 -0.279 1.00 1.18 H new ATOM 0 HD11 LEU A 25 -2.488 2.310 -2.375 1.00 1.55 H new ATOM 0 HD12 LEU A 25 -3.285 3.900 -2.316 1.00 1.55 H new ATOM 0 HD13 LEU A 25 -1.530 3.774 -2.052 1.00 1.55 H new ATOM 0 HD21 LEU A 25 -1.592 1.280 -0.411 1.00 1.87 H new ATOM 0 HD22 LEU A 25 -0.663 2.716 0.081 1.00 1.87 H new ATOM 0 HD23 LEU A 25 -1.824 1.977 1.210 1.00 1.87 H new ATOM 371 N ARG A 26 -3.588 7.435 1.358 1.00 0.62 N ATOM 372 CA ARG A 26 -4.150 8.381 2.304 1.00 0.62 C ATOM 373 C ARG A 26 -5.444 8.984 1.738 1.00 1.04 C ATOM 374 O ARG A 26 -6.386 9.246 2.481 1.00 1.56 O ATOM 375 CB ARG A 26 -3.147 9.495 2.668 1.00 0.66 C ATOM 376 CG ARG A 26 -2.896 9.574 4.184 1.00 2.45 C ATOM 377 CD ARG A 26 -2.776 11.008 4.707 1.00 3.02 C ATOM 378 NE ARG A 26 -2.353 10.999 6.119 1.00 4.47 N ATOM 379 CZ ARG A 26 -2.231 12.081 6.905 1.00 5.57 C ATOM 380 NH1 ARG A 26 -2.561 13.287 6.430 1.00 5.65 N ATOM 381 NH2 ARG A 26 -1.779 11.950 8.158 1.00 6.98 N ATOM 0 H ARG A 26 -2.596 7.588 1.179 1.00 0.62 H new ATOM 0 HA ARG A 26 -4.378 7.839 3.222 1.00 0.62 H new ATOM 0 HB2 ARG A 26 -2.203 9.315 2.153 1.00 0.66 H new ATOM 0 HB3 ARG A 26 -3.526 10.454 2.313 1.00 0.66 H new ATOM 0 HG2 ARG A 26 -3.710 9.072 4.706 1.00 2.45 H new ATOM 0 HG3 ARG A 26 -1.982 9.031 4.422 1.00 2.45 H new ATOM 0 HD2 ARG A 26 -2.055 11.563 4.107 1.00 3.02 H new ATOM 0 HD3 ARG A 26 -3.733 11.520 4.609 1.00 3.02 H new ATOM 0 HE ARG A 26 -2.134 10.094 6.535 1.00 4.47 H new ATOM 0 HH11 ARG A 26 -2.904 13.382 5.474 1.00 5.65 H new ATOM 0 HH12 ARG A 26 -2.470 14.111 7.024 1.00 5.65 H new ATOM 0 HH21 ARG A 26 -1.527 11.029 8.516 1.00 6.98 H new ATOM 0 HH22 ARG A 26 -1.686 12.772 8.755 1.00 6.98 H new ATOM 395 N ARG A 27 -5.453 9.233 0.422 1.00 1.28 N ATOM 396 CA ARG A 27 -6.585 9.784 -0.307 1.00 2.00 C ATOM 397 C ARG A 27 -7.632 8.738 -0.716 1.00 1.39 C ATOM 398 O ARG A 27 -8.805 9.092 -0.788 1.00 2.00 O ATOM 399 CB ARG A 27 -6.064 10.537 -1.534 1.00 3.04 C ATOM 400 CG ARG A 27 -5.377 11.837 -1.102 1.00 3.50 C ATOM 401 CD ARG A 27 -4.748 12.527 -2.315 1.00 5.11 C ATOM 402 NE ARG A 27 -4.538 13.958 -2.053 1.00 5.37 N ATOM 403 CZ ARG A 27 -4.185 14.854 -2.986 1.00 6.76 C ATOM 404 NH1 ARG A 27 -3.804 14.433 -4.197 1.00 8.19 N ATOM 405 NH2 ARG A 27 -4.219 16.163 -2.705 1.00 7.12 N ATOM 0 H ARG A 27 -4.647 9.049 -0.175 1.00 1.28 H new ATOM 0 HA ARG A 27 -7.106 10.462 0.369 1.00 2.00 H new ATOM 0 HB2 ARG A 27 -5.361 9.911 -2.083 1.00 3.04 H new ATOM 0 HB3 ARG A 27 -6.889 10.760 -2.211 1.00 3.04 H new ATOM 0 HG2 ARG A 27 -6.102 12.501 -0.631 1.00 3.50 H new ATOM 0 HG3 ARG A 27 -4.610 11.622 -0.358 1.00 3.50 H new ATOM 0 HD2 ARG A 27 -3.796 12.053 -2.555 1.00 5.11 H new ATOM 0 HD3 ARG A 27 -5.394 12.403 -3.184 1.00 5.11 H new ATOM 0 HE ARG A 27 -4.670 14.292 -1.098 1.00 5.37 H new ATOM 0 HH11 ARG A 27 -3.783 13.435 -4.407 1.00 8.19 H new ATOM 0 HH12 ARG A 27 -3.534 15.110 -4.911 1.00 8.19 H new ATOM 0 HH21 ARG A 27 -4.513 16.479 -1.781 1.00 7.12 H new ATOM 0 HH22 ARG A 27 -3.950 16.844 -3.415 1.00 7.12 H new ATOM 419 N GLU A 28 -7.234 7.497 -1.028 1.00 0.79 N ATOM 420 CA GLU A 28 -8.148 6.439 -1.464 1.00 0.90 C ATOM 421 C GLU A 28 -9.419 6.379 -0.602 1.00 1.14 C ATOM 422 O GLU A 28 -9.350 6.160 0.610 1.00 2.01 O ATOM 423 CB GLU A 28 -7.442 5.079 -1.415 1.00 1.02 C ATOM 424 CG GLU A 28 -6.653 4.736 -2.681 1.00 1.24 C ATOM 425 CD GLU A 28 -7.557 4.043 -3.688 1.00 1.62 C ATOM 426 OE1 GLU A 28 -8.312 4.769 -4.368 1.00 2.49 O ATOM 427 OE2 GLU A 28 -7.502 2.793 -3.726 1.00 2.33 O ATOM 0 H GLU A 28 -6.259 7.199 -0.984 1.00 0.79 H new ATOM 0 HA GLU A 28 -8.444 6.673 -2.487 1.00 0.90 H new ATOM 0 HB2 GLU A 28 -6.763 5.065 -0.562 1.00 1.02 H new ATOM 0 HB3 GLU A 28 -8.186 4.302 -1.242 1.00 1.02 H new ATOM 0 HG2 GLU A 28 -6.238 5.644 -3.118 1.00 1.24 H new ATOM 0 HG3 GLU A 28 -5.812 4.090 -2.431 1.00 1.24 H new ATOM 434 N GLU A 29 -10.582 6.537 -1.241 1.00 1.10 N ATOM 435 CA GLU A 29 -11.888 6.549 -0.601 1.00 1.44 C ATOM 436 C GLU A 29 -12.208 5.178 0.004 1.00 1.15 C ATOM 437 O GLU A 29 -12.887 4.350 -0.600 1.00 1.19 O ATOM 438 CB GLU A 29 -12.954 7.001 -1.606 1.00 2.11 C ATOM 439 CG GLU A 29 -12.752 8.474 -1.999 1.00 2.79 C ATOM 440 CD GLU A 29 -13.831 8.985 -2.949 1.00 3.18 C ATOM 441 OE1 GLU A 29 -14.864 8.292 -3.077 1.00 3.62 O ATOM 442 OE2 GLU A 29 -13.604 10.072 -3.521 1.00 3.82 O ATOM 0 H GLU A 29 -10.635 6.664 -2.252 1.00 1.10 H new ATOM 0 HA GLU A 29 -11.881 7.263 0.222 1.00 1.44 H new ATOM 0 HB2 GLU A 29 -12.909 6.374 -2.496 1.00 2.11 H new ATOM 0 HB3 GLU A 29 -13.946 6.869 -1.174 1.00 2.11 H new ATOM 0 HG2 GLU A 29 -12.746 9.088 -1.099 1.00 2.79 H new ATOM 0 HG3 GLU A 29 -11.776 8.589 -2.470 1.00 2.79 H new ATOM 449 N GLY A 30 -11.711 4.956 1.220 1.00 1.15 N ATOM 450 CA GLY A 30 -11.860 3.714 1.959 1.00 0.91 C ATOM 451 C GLY A 30 -10.628 3.398 2.804 1.00 0.82 C ATOM 452 O GLY A 30 -10.715 2.564 3.704 1.00 1.01 O ATOM 0 H GLY A 30 -11.178 5.661 1.729 1.00 1.15 H new ATOM 0 HA2 GLY A 30 -12.735 3.780 2.605 1.00 0.91 H new ATOM 0 HA3 GLY A 30 -12.040 2.896 1.261 1.00 0.91 H new ATOM 456 N ILE A 31 -9.484 4.041 2.539 1.00 0.63 N ATOM 457 CA ILE A 31 -8.339 3.949 3.428 1.00 0.62 C ATOM 458 C ILE A 31 -8.612 4.694 4.733 1.00 0.73 C ATOM 459 O ILE A 31 -9.280 5.724 4.756 1.00 0.92 O ATOM 460 CB ILE A 31 -7.077 4.465 2.721 1.00 0.75 C ATOM 461 CG1 ILE A 31 -6.653 3.498 1.603 1.00 0.82 C ATOM 462 CG2 ILE A 31 -5.900 4.719 3.676 1.00 0.98 C ATOM 463 CD1 ILE A 31 -6.377 2.073 2.070 1.00 1.81 C ATOM 0 H ILE A 31 -9.335 4.626 1.717 1.00 0.63 H new ATOM 0 HA ILE A 31 -8.168 2.904 3.685 1.00 0.62 H new ATOM 0 HB ILE A 31 -7.343 5.431 2.292 1.00 0.75 H new ATOM 0 HG12 ILE A 31 -7.436 3.473 0.845 1.00 0.82 H new ATOM 0 HG13 ILE A 31 -5.756 3.889 1.122 1.00 0.82 H new ATOM 0 HG21 ILE A 31 -5.043 5.082 3.109 1.00 0.98 H new ATOM 0 HG22 ILE A 31 -6.187 5.465 4.417 1.00 0.98 H new ATOM 0 HG23 ILE A 31 -5.634 3.790 4.181 1.00 0.98 H new ATOM 0 HD11 ILE A 31 -6.085 1.461 1.217 1.00 1.81 H new ATOM 0 HD12 ILE A 31 -5.572 2.080 2.804 1.00 1.81 H new ATOM 0 HD13 ILE A 31 -7.277 1.658 2.523 1.00 1.81 H new ATOM 475 N TYR A 32 -8.068 4.145 5.819 1.00 0.65 N ATOM 476 CA TYR A 32 -8.067 4.711 7.157 1.00 0.75 C ATOM 477 C TYR A 32 -6.650 5.132 7.551 1.00 0.67 C ATOM 478 O TYR A 32 -6.488 6.082 8.313 1.00 0.79 O ATOM 479 CB TYR A 32 -8.605 3.672 8.146 1.00 0.80 C ATOM 480 CG TYR A 32 -10.092 3.410 8.036 1.00 1.06 C ATOM 481 CD1 TYR A 32 -10.596 2.650 6.965 1.00 2.21 C ATOM 482 CD2 TYR A 32 -10.979 3.935 8.996 1.00 1.89 C ATOM 483 CE1 TYR A 32 -11.976 2.428 6.852 1.00 2.60 C ATOM 484 CE2 TYR A 32 -12.352 3.643 8.919 1.00 2.03 C ATOM 485 CZ TYR A 32 -12.850 2.877 7.855 1.00 1.93 C ATOM 486 OH TYR A 32 -14.141 2.441 7.882 1.00 2.55 O ATOM 0 H TYR A 32 -7.591 3.244 5.781 1.00 0.65 H new ATOM 0 HA TYR A 32 -8.707 5.593 7.177 1.00 0.75 H new ATOM 0 HB2 TYR A 32 -8.072 2.734 7.993 1.00 0.80 H new ATOM 0 HB3 TYR A 32 -8.382 4.004 9.160 1.00 0.80 H new ATOM 0 HD1 TYR A 32 -9.920 2.238 6.230 1.00 2.21 H new ATOM 0 HD2 TYR A 32 -10.604 4.562 9.791 1.00 1.89 H new ATOM 0 HE1 TYR A 32 -12.368 1.909 5.990 1.00 2.60 H new ATOM 0 HE2 TYR A 32 -13.025 4.009 9.681 1.00 2.03 H new ATOM 0 HH TYR A 32 -14.608 2.848 8.641 1.00 2.55 H new ATOM 496 N SER A 33 -5.620 4.421 7.077 1.00 0.53 N ATOM 497 CA SER A 33 -4.233 4.768 7.358 1.00 0.50 C ATOM 498 C SER A 33 -3.344 4.220 6.249 1.00 0.47 C ATOM 499 O SER A 33 -3.658 3.176 5.679 1.00 0.50 O ATOM 500 CB SER A 33 -3.804 4.184 8.708 1.00 0.53 C ATOM 501 OG SER A 33 -2.670 4.884 9.177 1.00 0.84 O ATOM 0 H SER A 33 -5.730 3.593 6.491 1.00 0.53 H new ATOM 0 HA SER A 33 -4.135 5.853 7.402 1.00 0.50 H new ATOM 0 HB2 SER A 33 -4.619 4.264 9.428 1.00 0.53 H new ATOM 0 HB3 SER A 33 -3.574 3.124 8.603 1.00 0.53 H new ATOM 0 HG SER A 33 -2.392 4.515 10.042 1.00 0.84 H new ATOM 507 N ILE A 34 -2.242 4.908 5.965 1.00 0.53 N ATOM 508 CA ILE A 34 -1.285 4.512 4.947 1.00 0.57 C ATOM 509 C ILE A 34 -0.302 3.460 5.453 1.00 0.54 C ATOM 510 O ILE A 34 -0.254 3.145 6.640 1.00 0.62 O ATOM 511 CB ILE A 34 -0.546 5.747 4.409 1.00 0.72 C ATOM 512 CG1 ILE A 34 0.061 6.717 5.446 1.00 2.05 C ATOM 513 CG2 ILE A 34 -1.534 6.527 3.552 1.00 1.17 C ATOM 514 CD1 ILE A 34 1.128 6.113 6.361 1.00 3.00 C ATOM 0 H ILE A 34 -1.988 5.771 6.446 1.00 0.53 H new ATOM 0 HA ILE A 34 -1.842 4.050 4.132 1.00 0.57 H new ATOM 0 HB ILE A 34 0.317 5.353 3.872 1.00 0.72 H new ATOM 0 HG12 ILE A 34 0.498 7.563 4.915 1.00 2.05 H new ATOM 0 HG13 ILE A 34 -0.745 7.111 6.066 1.00 2.05 H new ATOM 0 HG21 ILE A 34 -1.045 7.415 3.150 1.00 1.17 H new ATOM 0 HG22 ILE A 34 -1.878 5.899 2.730 1.00 1.17 H new ATOM 0 HG23 ILE A 34 -2.387 6.827 4.161 1.00 1.17 H new ATOM 0 HD11 ILE A 34 1.489 6.875 7.051 1.00 3.00 H new ATOM 0 HD12 ILE A 34 0.697 5.287 6.926 1.00 3.00 H new ATOM 0 HD13 ILE A 34 1.959 5.746 5.758 1.00 3.00 H new ATOM 526 N LEU A 35 0.481 2.913 4.524 1.00 0.55 N ATOM 527 CA LEU A 35 1.505 1.940 4.792 1.00 0.58 C ATOM 528 C LEU A 35 2.785 2.617 5.253 1.00 0.68 C ATOM 529 O LEU A 35 3.132 3.683 4.758 1.00 1.05 O ATOM 530 CB LEU A 35 1.730 1.103 3.528 1.00 0.60 C ATOM 531 CG LEU A 35 2.619 1.621 2.376 1.00 0.81 C ATOM 532 CD1 LEU A 35 2.190 2.976 1.809 1.00 2.10 C ATOM 533 CD2 LEU A 35 4.120 1.576 2.675 1.00 3.14 C ATOM 0 H LEU A 35 0.407 3.152 3.535 1.00 0.55 H new ATOM 0 HA LEU A 35 1.189 1.282 5.601 1.00 0.58 H new ATOM 0 HB2 LEU A 35 2.147 0.148 3.848 1.00 0.60 H new ATOM 0 HB3 LEU A 35 0.748 0.896 3.104 1.00 0.60 H new ATOM 0 HG LEU A 35 2.446 0.896 1.581 1.00 0.81 H new ATOM 0 HD11 LEU A 35 2.867 3.265 1.005 1.00 2.10 H new ATOM 0 HD12 LEU A 35 1.175 2.902 1.419 1.00 2.10 H new ATOM 0 HD13 LEU A 35 2.222 3.727 2.598 1.00 2.10 H new ATOM 0 HD21 LEU A 35 4.674 1.956 1.817 1.00 3.14 H new ATOM 0 HD22 LEU A 35 4.336 2.192 3.548 1.00 3.14 H new ATOM 0 HD23 LEU A 35 4.421 0.547 2.874 1.00 3.14 H new ATOM 545 N VAL A 36 3.491 2.009 6.205 1.00 0.47 N ATOM 546 CA VAL A 36 4.787 2.505 6.622 1.00 0.46 C ATOM 547 C VAL A 36 5.590 1.421 7.351 1.00 0.37 C ATOM 548 O VAL A 36 5.527 1.304 8.569 1.00 0.47 O ATOM 549 CB VAL A 36 4.600 3.804 7.427 1.00 0.57 C ATOM 550 CG1 VAL A 36 3.520 3.638 8.506 1.00 0.60 C ATOM 551 CG2 VAL A 36 5.938 4.314 7.968 1.00 0.68 C ATOM 0 H VAL A 36 3.181 1.172 6.698 1.00 0.47 H new ATOM 0 HA VAL A 36 5.391 2.757 5.750 1.00 0.46 H new ATOM 0 HB VAL A 36 4.233 4.581 6.757 1.00 0.57 H new ATOM 0 HG11 VAL A 36 3.411 4.572 9.058 1.00 0.60 H new ATOM 0 HG12 VAL A 36 2.571 3.382 8.035 1.00 0.60 H new ATOM 0 HG13 VAL A 36 3.811 2.843 9.192 1.00 0.60 H new ATOM 0 HG21 VAL A 36 5.776 5.232 8.532 1.00 0.68 H new ATOM 0 HG22 VAL A 36 6.378 3.560 8.621 1.00 0.68 H new ATOM 0 HG23 VAL A 36 6.614 4.513 7.137 1.00 0.68 H new ATOM 561 N ALA A 37 6.403 0.645 6.633 1.00 0.33 N ATOM 562 CA ALA A 37 7.428 -0.163 7.283 1.00 0.34 C ATOM 563 C ALA A 37 8.634 -0.293 6.357 1.00 0.41 C ATOM 564 O ALA A 37 9.194 -1.377 6.182 1.00 0.47 O ATOM 565 CB ALA A 37 6.850 -1.492 7.783 1.00 0.33 C ATOM 0 H ALA A 37 6.371 0.561 5.617 1.00 0.33 H new ATOM 0 HA ALA A 37 7.788 0.331 8.185 1.00 0.34 H new ATOM 0 HB1 ALA A 37 7.637 -2.073 8.263 1.00 0.33 H new ATOM 0 HB2 ALA A 37 6.054 -1.295 8.502 1.00 0.33 H new ATOM 0 HB3 ALA A 37 6.447 -2.054 6.940 1.00 0.33 H new ATOM 571 N LEU A 38 9.069 0.861 5.829 1.00 0.47 N ATOM 572 CA LEU A 38 10.327 1.017 5.105 1.00 0.55 C ATOM 573 C LEU A 38 11.505 0.639 6.014 1.00 0.61 C ATOM 574 O LEU A 38 12.548 0.229 5.523 1.00 0.75 O ATOM 575 CB LEU A 38 10.463 2.458 4.569 1.00 0.64 C ATOM 576 CG LEU A 38 11.424 2.563 3.362 1.00 0.70 C ATOM 577 CD1 LEU A 38 10.654 2.838 2.061 1.00 1.44 C ATOM 578 CD2 LEU A 38 12.469 3.672 3.535 1.00 1.46 C ATOM 0 H LEU A 38 8.538 1.729 5.899 1.00 0.47 H new ATOM 0 HA LEU A 38 10.334 0.345 4.247 1.00 0.55 H new ATOM 0 HB2 LEU A 38 9.479 2.826 4.277 1.00 0.64 H new ATOM 0 HB3 LEU A 38 10.821 3.106 5.369 1.00 0.64 H new ATOM 0 HG LEU A 38 11.933 1.601 3.308 1.00 0.70 H new ATOM 0 HD11 LEU A 38 11.356 2.907 1.230 1.00 1.44 H new ATOM 0 HD12 LEU A 38 9.951 2.026 1.876 1.00 1.44 H new ATOM 0 HD13 LEU A 38 10.108 3.777 2.153 1.00 1.44 H new ATOM 0 HD21 LEU A 38 13.117 3.701 2.659 1.00 1.46 H new ATOM 0 HD22 LEU A 38 11.965 4.632 3.646 1.00 1.46 H new ATOM 0 HD23 LEU A 38 13.068 3.472 4.423 1.00 1.46 H new ATOM 590 N MET A 39 11.327 0.724 7.340 1.00 0.60 N ATOM 591 CA MET A 39 12.273 0.212 8.330 1.00 0.69 C ATOM 592 C MET A 39 12.832 -1.166 7.944 1.00 0.68 C ATOM 593 O MET A 39 14.001 -1.446 8.199 1.00 0.77 O ATOM 594 CB MET A 39 11.601 0.124 9.717 1.00 0.78 C ATOM 595 CG MET A 39 12.029 1.224 10.703 1.00 2.17 C ATOM 596 SD MET A 39 10.815 2.529 11.024 1.00 3.63 S ATOM 597 CE MET A 39 11.722 3.482 12.266 1.00 4.75 C ATOM 0 H MET A 39 10.505 1.159 7.758 1.00 0.60 H new ATOM 0 HA MET A 39 13.107 0.913 8.365 1.00 0.69 H new ATOM 0 HB2 MET A 39 10.520 0.171 9.587 1.00 0.78 H new ATOM 0 HB3 MET A 39 11.827 -0.848 10.156 1.00 0.78 H new ATOM 0 HG2 MET A 39 12.284 0.753 11.652 1.00 2.17 H new ATOM 0 HG3 MET A 39 12.939 1.689 10.323 1.00 2.17 H new ATOM 0 HE1 MET A 39 11.120 4.334 12.582 1.00 4.75 H new ATOM 0 HE2 MET A 39 11.935 2.848 13.127 1.00 4.75 H new ATOM 0 HE3 MET A 39 12.659 3.839 11.838 1.00 4.75 H new ATOM 607 N ALA A 40 11.988 -2.039 7.378 1.00 0.63 N ATOM 608 CA ALA A 40 12.363 -3.408 7.025 1.00 0.66 C ATOM 609 C ALA A 40 11.996 -3.739 5.573 1.00 0.67 C ATOM 610 O ALA A 40 12.791 -4.352 4.865 1.00 0.88 O ATOM 611 CB ALA A 40 11.714 -4.371 8.017 1.00 0.68 C ATOM 0 H ALA A 40 11.020 -1.810 7.152 1.00 0.63 H new ATOM 0 HA ALA A 40 13.446 -3.513 7.091 1.00 0.66 H new ATOM 0 HB1 ALA A 40 11.988 -5.395 7.762 1.00 0.68 H new ATOM 0 HB2 ALA A 40 12.060 -4.143 9.025 1.00 0.68 H new ATOM 0 HB3 ALA A 40 10.630 -4.263 7.973 1.00 0.68 H new ATOM 617 N GLY A 41 10.794 -3.352 5.135 1.00 0.59 N ATOM 618 CA GLY A 41 10.317 -3.504 3.765 1.00 0.66 C ATOM 619 C GLY A 41 8.931 -4.125 3.742 1.00 0.63 C ATOM 620 O GLY A 41 8.679 -5.077 3.008 1.00 0.78 O ATOM 0 H GLY A 41 10.108 -2.911 5.747 1.00 0.59 H new ATOM 0 HA2 GLY A 41 10.293 -2.531 3.274 1.00 0.66 H new ATOM 0 HA3 GLY A 41 11.010 -4.129 3.201 1.00 0.66 H new ATOM 624 N LYS A 42 8.032 -3.584 4.563 1.00 0.50 N ATOM 625 CA LYS A 42 6.641 -4.003 4.646 1.00 0.49 C ATOM 626 C LYS A 42 5.768 -2.750 4.556 1.00 0.43 C ATOM 627 O LYS A 42 6.285 -1.631 4.498 1.00 0.42 O ATOM 628 CB LYS A 42 6.422 -4.799 5.943 1.00 0.52 C ATOM 629 CG LYS A 42 7.076 -6.190 5.851 1.00 0.57 C ATOM 630 CD LYS A 42 7.399 -6.807 7.217 1.00 1.33 C ATOM 631 CE LYS A 42 8.467 -5.975 7.944 1.00 2.11 C ATOM 632 NZ LYS A 42 9.224 -6.766 8.937 1.00 3.12 N ATOM 0 H LYS A 42 8.260 -2.823 5.203 1.00 0.50 H new ATOM 0 HA LYS A 42 6.367 -4.667 3.826 1.00 0.49 H new ATOM 0 HB2 LYS A 42 6.842 -4.250 6.786 1.00 0.52 H new ATOM 0 HB3 LYS A 42 5.354 -4.907 6.132 1.00 0.52 H new ATOM 0 HG2 LYS A 42 6.410 -6.860 5.307 1.00 0.57 H new ATOM 0 HG3 LYS A 42 7.995 -6.113 5.270 1.00 0.57 H new ATOM 0 HD2 LYS A 42 6.494 -6.858 7.823 1.00 1.33 H new ATOM 0 HD3 LYS A 42 7.753 -7.830 7.086 1.00 1.33 H new ATOM 0 HE2 LYS A 42 9.159 -5.559 7.212 1.00 2.11 H new ATOM 0 HE3 LYS A 42 7.988 -5.133 8.444 1.00 2.11 H new ATOM 0 HZ1 LYS A 42 9.931 -6.159 9.399 1.00 3.12 H new ATOM 0 HZ2 LYS A 42 8.570 -7.142 9.653 1.00 3.12 H new ATOM 0 HZ3 LYS A 42 9.705 -7.555 8.459 1.00 3.12 H new ATOM 646 N ALA A 43 4.451 -2.941 4.524 1.00 0.44 N ATOM 647 CA ALA A 43 3.477 -1.905 4.277 1.00 0.42 C ATOM 648 C ALA A 43 2.195 -2.268 5.032 1.00 0.43 C ATOM 649 O ALA A 43 1.686 -3.376 4.878 1.00 0.51 O ATOM 650 CB ALA A 43 3.276 -1.805 2.756 1.00 0.46 C ATOM 0 H ALA A 43 4.028 -3.857 4.676 1.00 0.44 H new ATOM 0 HA ALA A 43 3.799 -0.927 4.634 1.00 0.42 H new ATOM 0 HB1 ALA A 43 2.543 -1.028 2.536 1.00 0.46 H new ATOM 0 HB2 ALA A 43 4.224 -1.555 2.279 1.00 0.46 H new ATOM 0 HB3 ALA A 43 2.918 -2.761 2.373 1.00 0.46 H new ATOM 656 N GLU A 44 1.703 -1.348 5.871 1.00 0.41 N ATOM 657 CA GLU A 44 0.624 -1.594 6.822 1.00 0.45 C ATOM 658 C GLU A 44 -0.547 -0.636 6.591 1.00 0.47 C ATOM 659 O GLU A 44 -0.940 0.128 7.469 1.00 0.79 O ATOM 660 CB GLU A 44 1.185 -1.536 8.251 1.00 0.53 C ATOM 661 CG GLU A 44 2.069 -0.311 8.535 1.00 2.19 C ATOM 662 CD GLU A 44 2.334 -0.205 10.032 1.00 2.51 C ATOM 663 OE1 GLU A 44 2.848 -1.203 10.581 1.00 2.06 O ATOM 664 OE2 GLU A 44 1.974 0.845 10.606 1.00 3.80 O ATOM 0 H GLU A 44 2.056 -0.391 5.904 1.00 0.41 H new ATOM 0 HA GLU A 44 0.216 -2.593 6.669 1.00 0.45 H new ATOM 0 HB2 GLU A 44 0.353 -1.540 8.956 1.00 0.53 H new ATOM 0 HB3 GLU A 44 1.766 -2.439 8.438 1.00 0.53 H new ATOM 0 HG2 GLU A 44 3.011 -0.397 7.994 1.00 2.19 H new ATOM 0 HG3 GLU A 44 1.578 0.594 8.178 1.00 2.19 H new ATOM 671 N VAL A 45 -1.121 -0.694 5.392 1.00 0.40 N ATOM 672 CA VAL A 45 -2.189 0.205 4.986 1.00 0.39 C ATOM 673 C VAL A 45 -3.524 -0.332 5.508 1.00 0.43 C ATOM 674 O VAL A 45 -3.852 -1.498 5.307 1.00 0.94 O ATOM 675 CB VAL A 45 -2.152 0.426 3.461 1.00 0.55 C ATOM 676 CG1 VAL A 45 -1.716 -0.801 2.651 1.00 1.50 C ATOM 677 CG2 VAL A 45 -3.496 0.929 2.933 1.00 1.56 C ATOM 0 H VAL A 45 -0.855 -1.369 4.675 1.00 0.40 H new ATOM 0 HA VAL A 45 -2.053 1.192 5.427 1.00 0.39 H new ATOM 0 HB VAL A 45 -1.385 1.187 3.317 1.00 0.55 H new ATOM 0 HG11 VAL A 45 -1.719 -0.556 1.589 1.00 1.50 H new ATOM 0 HG12 VAL A 45 -0.711 -1.098 2.952 1.00 1.50 H new ATOM 0 HG13 VAL A 45 -2.408 -1.623 2.835 1.00 1.50 H new ATOM 0 HG21 VAL A 45 -3.432 1.073 1.855 1.00 1.56 H new ATOM 0 HG22 VAL A 45 -4.272 0.196 3.156 1.00 1.56 H new ATOM 0 HG23 VAL A 45 -3.744 1.876 3.412 1.00 1.56 H new ATOM 687 N ARG A 46 -4.306 0.511 6.186 1.00 0.37 N ATOM 688 CA ARG A 46 -5.595 0.136 6.749 1.00 0.35 C ATOM 689 C ARG A 46 -6.708 0.552 5.794 1.00 0.34 C ATOM 690 O ARG A 46 -6.744 1.711 5.389 1.00 0.43 O ATOM 691 CB ARG A 46 -5.761 0.770 8.133 1.00 0.47 C ATOM 692 CG ARG A 46 -6.915 0.094 8.881 1.00 0.67 C ATOM 693 CD ARG A 46 -7.169 0.786 10.224 1.00 0.80 C ATOM 694 NE ARG A 46 -7.985 -0.056 11.113 1.00 2.04 N ATOM 695 CZ ARG A 46 -8.331 0.279 12.366 1.00 2.52 C ATOM 696 NH1 ARG A 46 -8.046 1.503 12.827 1.00 2.01 N ATOM 697 NH2 ARG A 46 -8.940 -0.612 13.156 1.00 4.03 N ATOM 0 H ARG A 46 -4.054 1.484 6.359 1.00 0.37 H new ATOM 0 HA ARG A 46 -5.649 -0.945 6.874 1.00 0.35 H new ATOM 0 HB2 ARG A 46 -4.837 0.668 8.703 1.00 0.47 H new ATOM 0 HB3 ARG A 46 -5.957 1.838 8.033 1.00 0.47 H new ATOM 0 HG2 ARG A 46 -7.819 0.128 8.272 1.00 0.67 H new ATOM 0 HG3 ARG A 46 -6.681 -0.958 9.047 1.00 0.67 H new ATOM 0 HD2 ARG A 46 -6.217 1.011 10.705 1.00 0.80 H new ATOM 0 HD3 ARG A 46 -7.674 1.737 10.056 1.00 0.80 H new ATOM 0 HE ARG A 46 -8.309 -0.954 10.753 1.00 2.04 H new ATOM 0 HH11 ARG A 46 -7.568 2.176 12.227 1.00 2.01 H new ATOM 0 HH12 ARG A 46 -8.307 1.763 13.778 1.00 2.01 H new ATOM 0 HH21 ARG A 46 -9.143 -1.549 12.807 1.00 4.03 H new ATOM 0 HH22 ARG A 46 -9.202 -0.355 14.108 1.00 4.03 H new ATOM 711 N TYR A 47 -7.601 -0.381 5.454 1.00 0.41 N ATOM 712 CA TYR A 47 -8.604 -0.256 4.404 1.00 0.47 C ATOM 713 C TYR A 47 -9.950 -0.813 4.875 1.00 0.45 C ATOM 714 O TYR A 47 -10.127 -1.064 6.066 1.00 0.49 O ATOM 715 CB TYR A 47 -8.090 -0.954 3.136 1.00 0.50 C ATOM 716 CG TYR A 47 -8.324 -2.455 3.045 1.00 0.48 C ATOM 717 CD1 TYR A 47 -7.857 -3.320 4.051 1.00 1.68 C ATOM 718 CD2 TYR A 47 -8.973 -2.993 1.919 1.00 1.81 C ATOM 719 CE1 TYR A 47 -7.975 -4.711 3.900 1.00 1.66 C ATOM 720 CE2 TYR A 47 -9.125 -4.382 1.789 1.00 1.91 C ATOM 721 CZ TYR A 47 -8.637 -5.243 2.786 1.00 0.76 C ATOM 722 OH TYR A 47 -8.814 -6.589 2.693 1.00 0.99 O ATOM 0 H TYR A 47 -7.643 -1.284 5.927 1.00 0.41 H new ATOM 0 HA TYR A 47 -8.771 0.795 4.168 1.00 0.47 H new ATOM 0 HB2 TYR A 47 -8.560 -0.483 2.273 1.00 0.50 H new ATOM 0 HB3 TYR A 47 -7.019 -0.770 3.056 1.00 0.50 H new ATOM 0 HD1 TYR A 47 -7.406 -2.912 4.944 1.00 1.68 H new ATOM 0 HD2 TYR A 47 -9.355 -2.335 1.152 1.00 1.81 H new ATOM 0 HE1 TYR A 47 -7.555 -5.372 4.644 1.00 1.66 H new ATOM 0 HE2 TYR A 47 -9.619 -4.790 0.920 1.00 1.91 H new ATOM 0 HH TYR A 47 -9.291 -6.800 1.863 1.00 0.99 H new ATOM 732 N ASN A 48 -10.892 -1.020 3.948 1.00 0.51 N ATOM 733 CA ASN A 48 -12.232 -1.526 4.229 1.00 0.59 C ATOM 734 C ASN A 48 -12.783 -2.255 2.999 1.00 0.53 C ATOM 735 O ASN A 48 -13.263 -1.591 2.083 1.00 0.61 O ATOM 736 CB ASN A 48 -13.134 -0.342 4.589 1.00 0.77 C ATOM 737 CG ASN A 48 -14.616 -0.704 4.577 1.00 1.24 C ATOM 738 OD1 ASN A 48 -15.007 -1.784 5.017 1.00 1.90 O ATOM 739 ND2 ASN A 48 -15.468 0.196 4.095 1.00 1.66 N ATOM 0 H ASN A 48 -10.735 -0.834 2.957 1.00 0.51 H new ATOM 0 HA ASN A 48 -12.199 -2.230 5.060 1.00 0.59 H new ATOM 0 HB2 ASN A 48 -12.863 0.028 5.578 1.00 0.77 H new ATOM 0 HB3 ASN A 48 -12.957 0.471 3.885 1.00 0.77 H new ATOM 0 HD21 ASN A 48 -16.468 -0.003 4.085 1.00 1.66 H new ATOM 0 HD22 ASN A 48 -15.121 1.085 3.735 1.00 1.66 H new ATOM 746 N PRO A 49 -12.731 -3.594 2.939 1.00 0.52 N ATOM 747 CA PRO A 49 -13.112 -4.338 1.749 1.00 0.60 C ATOM 748 C PRO A 49 -14.632 -4.334 1.554 1.00 0.68 C ATOM 749 O PRO A 49 -15.316 -5.311 1.845 1.00 0.85 O ATOM 750 CB PRO A 49 -12.534 -5.735 1.958 1.00 0.73 C ATOM 751 CG PRO A 49 -12.542 -5.903 3.475 1.00 0.74 C ATOM 752 CD PRO A 49 -12.221 -4.490 3.965 1.00 0.62 C ATOM 0 HA PRO A 49 -12.723 -3.894 0.833 1.00 0.60 H new ATOM 0 HB2 PRO A 49 -13.139 -6.497 1.467 1.00 0.73 H new ATOM 0 HB3 PRO A 49 -11.526 -5.817 1.551 1.00 0.73 H new ATOM 0 HG2 PRO A 49 -13.509 -6.249 3.840 1.00 0.74 H new ATOM 0 HG3 PRO A 49 -11.798 -6.627 3.807 1.00 0.74 H new ATOM 0 HD2 PRO A 49 -12.693 -4.292 4.928 1.00 0.62 H new ATOM 0 HD3 PRO A 49 -11.148 -4.357 4.103 1.00 0.62 H new ATOM 760 N ALA A 50 -15.148 -3.215 1.047 1.00 0.62 N ATOM 761 CA ALA A 50 -16.560 -3.002 0.772 1.00 0.75 C ATOM 762 C ALA A 50 -16.730 -2.108 -0.459 1.00 0.74 C ATOM 763 O ALA A 50 -17.541 -2.414 -1.328 1.00 1.00 O ATOM 764 CB ALA A 50 -17.228 -2.390 2.007 1.00 0.91 C ATOM 0 H ALA A 50 -14.572 -2.408 0.810 1.00 0.62 H new ATOM 0 HA ALA A 50 -17.042 -3.955 0.554 1.00 0.75 H new ATOM 0 HB1 ALA A 50 -18.287 -2.228 1.805 1.00 0.91 H new ATOM 0 HB2 ALA A 50 -17.119 -3.068 2.853 1.00 0.91 H new ATOM 0 HB3 ALA A 50 -16.754 -1.437 2.242 1.00 0.91 H new ATOM 770 N VAL A 51 -15.982 -0.999 -0.510 1.00 0.66 N ATOM 771 CA VAL A 51 -16.034 -0.020 -1.588 1.00 0.77 C ATOM 772 C VAL A 51 -14.685 0.024 -2.320 1.00 0.73 C ATOM 773 O VAL A 51 -14.632 -0.123 -3.537 1.00 1.06 O ATOM 774 CB VAL A 51 -16.428 1.344 -0.990 1.00 0.92 C ATOM 775 CG1 VAL A 51 -16.392 2.447 -2.051 1.00 1.13 C ATOM 776 CG2 VAL A 51 -17.840 1.279 -0.389 1.00 1.28 C ATOM 0 H VAL A 51 -15.309 -0.757 0.218 1.00 0.66 H new ATOM 0 HA VAL A 51 -16.784 -0.296 -2.330 1.00 0.77 H new ATOM 0 HB VAL A 51 -15.704 1.578 -0.210 1.00 0.92 H new ATOM 0 HG11 VAL A 51 -16.675 3.397 -1.598 1.00 1.13 H new ATOM 0 HG12 VAL A 51 -15.385 2.526 -2.460 1.00 1.13 H new ATOM 0 HG13 VAL A 51 -17.091 2.205 -2.852 1.00 1.13 H new ATOM 0 HG21 VAL A 51 -18.103 2.251 0.029 1.00 1.28 H new ATOM 0 HG22 VAL A 51 -18.555 1.014 -1.168 1.00 1.28 H new ATOM 0 HG23 VAL A 51 -17.866 0.526 0.399 1.00 1.28 H new ATOM 786 N ILE A 52 -13.597 0.249 -1.576 1.00 0.56 N ATOM 787 CA ILE A 52 -12.260 0.430 -2.141 1.00 0.70 C ATOM 788 C ILE A 52 -11.786 -0.836 -2.857 1.00 0.81 C ATOM 789 O ILE A 52 -11.285 -0.764 -3.970 1.00 1.23 O ATOM 790 CB ILE A 52 -11.280 0.899 -1.050 1.00 0.71 C ATOM 791 CG1 ILE A 52 -9.876 1.168 -1.606 1.00 1.03 C ATOM 792 CG2 ILE A 52 -11.218 -0.053 0.151 1.00 0.62 C ATOM 793 CD1 ILE A 52 -8.933 1.571 -0.473 1.00 1.50 C ATOM 0 H ILE A 52 -13.622 0.311 -0.558 1.00 0.56 H new ATOM 0 HA ILE A 52 -12.299 1.212 -2.899 1.00 0.70 H new ATOM 0 HB ILE A 52 -11.683 1.845 -0.687 1.00 0.71 H new ATOM 0 HG12 ILE A 52 -9.497 0.277 -2.106 1.00 1.03 H new ATOM 0 HG13 ILE A 52 -9.918 1.960 -2.354 1.00 1.03 H new ATOM 0 HG21 ILE A 52 -10.510 0.333 0.885 1.00 0.62 H new ATOM 0 HG22 ILE A 52 -12.206 -0.130 0.605 1.00 0.62 H new ATOM 0 HG23 ILE A 52 -10.894 -1.039 -0.182 1.00 0.62 H new ATOM 0 HD11 ILE A 52 -7.939 1.760 -0.877 1.00 1.50 H new ATOM 0 HD12 ILE A 52 -9.307 2.475 0.008 1.00 1.50 H new ATOM 0 HD13 ILE A 52 -8.880 0.766 0.260 1.00 1.50 H new ATOM 805 N GLN A 53 -11.971 -1.987 -2.205 1.00 0.62 N ATOM 806 CA GLN A 53 -11.688 -3.328 -2.701 1.00 0.68 C ATOM 807 C GLN A 53 -10.188 -3.692 -2.617 1.00 0.65 C ATOM 808 O GLN A 53 -9.334 -2.950 -3.101 1.00 0.69 O ATOM 809 CB GLN A 53 -12.303 -3.554 -4.103 1.00 0.75 C ATOM 810 CG GLN A 53 -13.326 -4.697 -4.142 1.00 1.04 C ATOM 811 CD GLN A 53 -14.440 -4.502 -3.112 1.00 2.02 C ATOM 812 OE1 GLN A 53 -15.037 -3.437 -3.023 1.00 3.67 O ATOM 813 NE2 GLN A 53 -14.698 -5.511 -2.284 1.00 2.16 N ATOM 0 H GLN A 53 -12.346 -2.003 -1.257 1.00 0.62 H new ATOM 0 HA GLN A 53 -12.183 -4.032 -2.032 1.00 0.68 H new ATOM 0 HB2 GLN A 53 -12.785 -2.634 -4.433 1.00 0.75 H new ATOM 0 HB3 GLN A 53 -11.503 -3.767 -4.812 1.00 0.75 H new ATOM 0 HG2 GLN A 53 -13.761 -4.761 -5.139 1.00 1.04 H new ATOM 0 HG3 GLN A 53 -12.820 -5.644 -3.954 1.00 1.04 H new ATOM 0 HE21 GLN A 53 -14.188 -6.390 -2.376 1.00 2.16 H new ATOM 0 HE22 GLN A 53 -15.406 -5.406 -1.557 1.00 2.16 H new ATOM 822 N PRO A 54 -9.842 -4.848 -2.013 1.00 0.67 N ATOM 823 CA PRO A 54 -8.460 -5.278 -1.840 1.00 0.72 C ATOM 824 C PRO A 54 -7.638 -5.366 -3.134 1.00 0.78 C ATOM 825 O PRO A 54 -6.491 -4.919 -3.127 1.00 0.83 O ATOM 826 CB PRO A 54 -8.491 -6.608 -1.078 1.00 0.84 C ATOM 827 CG PRO A 54 -9.948 -7.070 -1.115 1.00 0.87 C ATOM 828 CD PRO A 54 -10.765 -5.823 -1.451 1.00 0.75 C ATOM 0 HA PRO A 54 -7.932 -4.510 -1.274 1.00 0.72 H new ATOM 0 HB2 PRO A 54 -7.835 -7.343 -1.545 1.00 0.84 H new ATOM 0 HB3 PRO A 54 -8.146 -6.480 -0.052 1.00 0.84 H new ATOM 0 HG2 PRO A 54 -10.094 -7.848 -1.864 1.00 0.87 H new ATOM 0 HG3 PRO A 54 -10.251 -7.490 -0.156 1.00 0.87 H new ATOM 0 HD2 PRO A 54 -11.556 -6.060 -2.163 1.00 0.75 H new ATOM 0 HD3 PRO A 54 -11.248 -5.426 -0.558 1.00 0.75 H new ATOM 836 N PRO A 55 -8.142 -5.924 -4.252 1.00 0.83 N ATOM 837 CA PRO A 55 -7.354 -5.917 -5.469 1.00 0.94 C ATOM 838 C PRO A 55 -7.098 -4.483 -5.929 1.00 0.94 C ATOM 839 O PRO A 55 -6.049 -4.219 -6.506 1.00 1.15 O ATOM 840 CB PRO A 55 -8.138 -6.737 -6.497 1.00 1.05 C ATOM 841 CG PRO A 55 -9.581 -6.603 -6.022 1.00 1.04 C ATOM 842 CD PRO A 55 -9.435 -6.550 -4.502 1.00 0.92 C ATOM 0 HA PRO A 55 -6.369 -6.359 -5.321 1.00 0.94 H new ATOM 0 HB2 PRO A 55 -8.009 -6.347 -7.507 1.00 1.05 H new ATOM 0 HB3 PRO A 55 -7.814 -7.778 -6.513 1.00 1.05 H new ATOM 0 HG2 PRO A 55 -10.054 -5.703 -6.414 1.00 1.04 H new ATOM 0 HG3 PRO A 55 -10.191 -7.448 -6.340 1.00 1.04 H new ATOM 0 HD2 PRO A 55 -10.243 -5.974 -4.051 1.00 0.92 H new ATOM 0 HD3 PRO A 55 -9.476 -7.550 -4.069 1.00 0.92 H new ATOM 850 N MET A 56 -8.017 -3.546 -5.663 1.00 0.79 N ATOM 851 CA MET A 56 -7.858 -2.188 -6.141 1.00 0.82 C ATOM 852 C MET A 56 -6.665 -1.517 -5.465 1.00 0.75 C ATOM 853 O MET A 56 -5.802 -0.989 -6.162 1.00 0.72 O ATOM 854 CB MET A 56 -9.151 -1.384 -5.959 1.00 0.93 C ATOM 855 CG MET A 56 -9.612 -0.730 -7.267 1.00 1.73 C ATOM 856 SD MET A 56 -10.420 0.879 -7.075 1.00 2.68 S ATOM 857 CE MET A 56 -10.795 1.232 -8.806 1.00 3.28 C ATOM 0 H MET A 56 -8.867 -3.712 -5.124 1.00 0.79 H new ATOM 0 HA MET A 56 -7.652 -2.220 -7.211 1.00 0.82 H new ATOM 0 HB2 MET A 56 -9.937 -2.041 -5.586 1.00 0.93 H new ATOM 0 HB3 MET A 56 -8.995 -0.613 -5.204 1.00 0.93 H new ATOM 0 HG2 MET A 56 -8.748 -0.610 -7.920 1.00 1.73 H new ATOM 0 HG3 MET A 56 -10.301 -1.408 -7.771 1.00 1.73 H new ATOM 0 HE1 MET A 56 -11.300 2.195 -8.880 1.00 3.28 H new ATOM 0 HE2 MET A 56 -9.869 1.263 -9.380 1.00 3.28 H new ATOM 0 HE3 MET A 56 -11.443 0.451 -9.204 1.00 3.28 H new ATOM 867 N ILE A 57 -6.578 -1.551 -4.125 1.00 0.76 N ATOM 868 CA ILE A 57 -5.408 -0.979 -3.460 1.00 0.80 C ATOM 869 C ILE A 57 -4.114 -1.603 -3.966 1.00 0.64 C ATOM 870 O ILE A 57 -3.164 -0.882 -4.274 1.00 0.69 O ATOM 871 CB ILE A 57 -5.475 -1.008 -1.921 1.00 1.10 C ATOM 872 CG1 ILE A 57 -6.292 -2.144 -1.290 1.00 0.92 C ATOM 873 CG2 ILE A 57 -5.977 0.363 -1.496 1.00 2.28 C ATOM 874 CD1 ILE A 57 -6.054 -2.277 0.223 1.00 1.16 C ATOM 0 H ILE A 57 -7.279 -1.954 -3.504 1.00 0.76 H new ATOM 0 HA ILE A 57 -5.416 0.076 -3.733 1.00 0.80 H new ATOM 0 HB ILE A 57 -4.476 -1.228 -1.545 1.00 1.10 H new ATOM 0 HG12 ILE A 57 -7.352 -1.968 -1.473 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -6.036 -3.084 -1.778 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -6.046 0.404 -0.409 1.00 2.28 H new ATOM 0 HG22 ILE A 57 -5.284 1.128 -1.845 1.00 2.28 H new ATOM 0 HG23 ILE A 57 -6.961 0.540 -1.929 1.00 2.28 H new ATOM 0 HD11 ILE A 57 -6.657 -3.096 0.616 1.00 1.16 H new ATOM 0 HD12 ILE A 57 -5.000 -2.482 0.409 1.00 1.16 H new ATOM 0 HD13 ILE A 57 -6.336 -1.348 0.719 1.00 1.16 H new ATOM 886 N ALA A 58 -4.068 -2.933 -4.062 1.00 0.57 N ATOM 887 CA ALA A 58 -2.911 -3.594 -4.627 1.00 0.55 C ATOM 888 C ALA A 58 -2.571 -3.015 -6.006 1.00 0.51 C ATOM 889 O ALA A 58 -1.456 -2.542 -6.227 1.00 0.53 O ATOM 890 CB ALA A 58 -3.151 -5.104 -4.686 1.00 0.67 C ATOM 0 H ALA A 58 -4.813 -3.559 -3.757 1.00 0.57 H new ATOM 0 HA ALA A 58 -2.049 -3.415 -3.985 1.00 0.55 H new ATOM 0 HB1 ALA A 58 -2.276 -5.595 -5.112 1.00 0.67 H new ATOM 0 HB2 ALA A 58 -3.326 -5.484 -3.680 1.00 0.67 H new ATOM 0 HB3 ALA A 58 -4.022 -5.310 -5.308 1.00 0.67 H new ATOM 896 N GLU A 59 -3.532 -3.014 -6.932 1.00 0.55 N ATOM 897 CA GLU A 59 -3.336 -2.484 -8.267 1.00 0.56 C ATOM 898 C GLU A 59 -2.816 -1.047 -8.237 1.00 0.58 C ATOM 899 O GLU A 59 -1.828 -0.757 -8.902 1.00 0.60 O ATOM 900 CB GLU A 59 -4.632 -2.585 -9.066 1.00 0.63 C ATOM 901 CG GLU A 59 -4.969 -4.025 -9.494 1.00 0.75 C ATOM 902 CD GLU A 59 -4.183 -4.494 -10.714 1.00 1.21 C ATOM 903 OE1 GLU A 59 -2.935 -4.460 -10.645 1.00 2.88 O ATOM 904 OE2 GLU A 59 -4.831 -4.916 -11.693 1.00 1.78 O ATOM 0 H GLU A 59 -4.468 -3.384 -6.768 1.00 0.55 H new ATOM 0 HA GLU A 59 -2.573 -3.086 -8.761 1.00 0.56 H new ATOM 0 HB2 GLU A 59 -5.452 -2.189 -8.467 1.00 0.63 H new ATOM 0 HB3 GLU A 59 -4.554 -1.958 -9.954 1.00 0.63 H new ATOM 0 HG2 GLU A 59 -4.770 -4.700 -8.661 1.00 0.75 H new ATOM 0 HG3 GLU A 59 -6.035 -4.092 -9.710 1.00 0.75 H new ATOM 911 N PHE A 60 -3.427 -0.168 -7.435 1.00 0.65 N ATOM 912 CA PHE A 60 -2.946 1.185 -7.184 1.00 0.73 C ATOM 913 C PHE A 60 -1.431 1.229 -6.988 1.00 0.72 C ATOM 914 O PHE A 60 -0.753 2.133 -7.469 1.00 0.85 O ATOM 915 CB PHE A 60 -3.636 1.745 -5.931 1.00 0.85 C ATOM 916 CG PHE A 60 -4.023 3.197 -6.060 1.00 1.02 C ATOM 917 CD1 PHE A 60 -3.047 4.179 -6.314 1.00 2.59 C ATOM 918 CD2 PHE A 60 -5.385 3.535 -6.117 1.00 1.45 C ATOM 919 CE1 PHE A 60 -3.438 5.476 -6.685 1.00 2.72 C ATOM 920 CE2 PHE A 60 -5.771 4.840 -6.447 1.00 1.44 C ATOM 921 CZ PHE A 60 -4.801 5.815 -6.732 1.00 1.30 C ATOM 0 H PHE A 60 -4.288 -0.387 -6.934 1.00 0.65 H new ATOM 0 HA PHE A 60 -3.186 1.791 -8.058 1.00 0.73 H new ATOM 0 HB2 PHE A 60 -4.529 1.156 -5.723 1.00 0.85 H new ATOM 0 HB3 PHE A 60 -2.970 1.628 -5.076 1.00 0.85 H new ATOM 0 HD1 PHE A 60 -1.999 3.935 -6.224 1.00 2.59 H new ATOM 0 HD2 PHE A 60 -6.136 2.788 -5.906 1.00 1.45 H new ATOM 0 HE1 PHE A 60 -2.690 6.214 -6.935 1.00 2.72 H new ATOM 0 HE2 PHE A 60 -6.819 5.098 -6.483 1.00 1.44 H new ATOM 0 HZ PHE A 60 -5.101 6.821 -6.986 1.00 1.30 H new ATOM 931 N ILE A 61 -0.895 0.271 -6.234 1.00 0.64 N ATOM 932 CA ILE A 61 0.539 0.188 -6.014 1.00 0.67 C ATOM 933 C ILE A 61 1.197 -0.298 -7.307 1.00 0.59 C ATOM 934 O ILE A 61 2.180 0.277 -7.783 1.00 0.65 O ATOM 935 CB ILE A 61 0.831 -0.697 -4.790 1.00 0.68 C ATOM 936 CG1 ILE A 61 0.209 -0.055 -3.537 1.00 0.75 C ATOM 937 CG2 ILE A 61 2.344 -0.857 -4.607 1.00 0.75 C ATOM 938 CD1 ILE A 61 0.049 -1.040 -2.379 1.00 0.90 C ATOM 0 H ILE A 61 -1.436 -0.457 -5.767 1.00 0.64 H new ATOM 0 HA ILE A 61 0.967 1.163 -5.780 1.00 0.67 H new ATOM 0 HB ILE A 61 0.394 -1.684 -4.943 1.00 0.68 H new ATOM 0 HG12 ILE A 61 0.833 0.778 -3.214 1.00 0.75 H new ATOM 0 HG13 ILE A 61 -0.767 0.358 -3.793 1.00 0.75 H new ATOM 0 HG21 ILE A 61 2.541 -1.485 -3.738 1.00 0.75 H new ATOM 0 HG22 ILE A 61 2.771 -1.322 -5.495 1.00 0.75 H new ATOM 0 HG23 ILE A 61 2.798 0.123 -4.457 1.00 0.75 H new ATOM 0 HD11 ILE A 61 -0.394 -0.528 -1.525 1.00 0.90 H new ATOM 0 HD12 ILE A 61 -0.599 -1.861 -2.687 1.00 0.90 H new ATOM 0 HD13 ILE A 61 1.026 -1.434 -2.099 1.00 0.90 H new ATOM 950 N ARG A 62 0.647 -1.366 -7.888 1.00 0.54 N ATOM 951 CA ARG A 62 1.190 -1.954 -9.102 1.00 0.58 C ATOM 952 C ARG A 62 1.194 -0.996 -10.300 1.00 0.62 C ATOM 953 O ARG A 62 1.963 -1.237 -11.227 1.00 0.69 O ATOM 954 CB ARG A 62 0.466 -3.251 -9.487 1.00 0.59 C ATOM 955 CG ARG A 62 0.514 -4.327 -8.395 1.00 0.62 C ATOM 956 CD ARG A 62 -0.314 -5.559 -8.783 1.00 1.04 C ATOM 957 NE ARG A 62 0.342 -6.352 -9.838 1.00 1.17 N ATOM 958 CZ ARG A 62 0.154 -6.263 -11.168 1.00 2.08 C ATOM 959 NH1 ARG A 62 -0.773 -5.463 -11.700 1.00 3.17 N ATOM 960 NH2 ARG A 62 0.925 -6.994 -11.981 1.00 2.50 N ATOM 0 H ARG A 62 -0.181 -1.841 -7.529 1.00 0.54 H new ATOM 0 HA ARG A 62 2.228 -2.180 -8.859 1.00 0.58 H new ATOM 0 HB2 ARG A 62 -0.575 -3.022 -9.715 1.00 0.59 H new ATOM 0 HB3 ARG A 62 0.912 -3.650 -10.398 1.00 0.59 H new ATOM 0 HG2 ARG A 62 1.548 -4.623 -8.220 1.00 0.62 H new ATOM 0 HG3 ARG A 62 0.137 -3.914 -7.459 1.00 0.62 H new ATOM 0 HD2 ARG A 62 -0.470 -6.183 -7.903 1.00 1.04 H new ATOM 0 HD3 ARG A 62 -1.298 -5.241 -9.127 1.00 1.04 H new ATOM 0 HE ARG A 62 1.017 -7.049 -9.524 1.00 1.17 H new ATOM 0 HH11 ARG A 62 -1.365 -4.895 -11.094 1.00 3.17 H new ATOM 0 HH12 ARG A 62 -0.889 -5.420 -12.712 1.00 3.17 H new ATOM 0 HH21 ARG A 62 1.641 -7.606 -11.590 1.00 2.50 H new ATOM 0 HH22 ARG A 62 0.797 -6.939 -12.991 1.00 2.50 H new ATOM 974 N GLU A 63 0.411 0.090 -10.284 1.00 0.62 N ATOM 975 CA GLU A 63 0.523 1.195 -11.239 1.00 0.66 C ATOM 976 C GLU A 63 1.989 1.599 -11.468 1.00 0.68 C ATOM 977 O GLU A 63 2.360 2.016 -12.562 1.00 0.69 O ATOM 978 CB GLU A 63 -0.264 2.415 -10.733 1.00 0.71 C ATOM 979 CG GLU A 63 -1.785 2.214 -10.718 1.00 2.04 C ATOM 980 CD GLU A 63 -2.373 2.223 -12.122 1.00 3.36 C ATOM 981 OE1 GLU A 63 -2.488 3.339 -12.675 1.00 3.26 O ATOM 982 OE2 GLU A 63 -2.681 1.122 -12.621 1.00 5.01 O ATOM 0 H GLU A 63 -0.329 0.226 -9.595 1.00 0.62 H new ATOM 0 HA GLU A 63 0.108 0.851 -12.186 1.00 0.66 H new ATOM 0 HB2 GLU A 63 0.070 2.657 -9.724 1.00 0.71 H new ATOM 0 HB3 GLU A 63 -0.027 3.273 -11.362 1.00 0.71 H new ATOM 0 HG2 GLU A 63 -2.021 1.268 -10.232 1.00 2.04 H new ATOM 0 HG3 GLU A 63 -2.249 3.002 -10.125 1.00 2.04 H new ATOM 989 N LEU A 64 2.832 1.468 -10.438 1.00 0.69 N ATOM 990 CA LEU A 64 4.233 1.870 -10.493 1.00 0.72 C ATOM 991 C LEU A 64 5.116 0.805 -11.158 1.00 0.71 C ATOM 992 O LEU A 64 6.260 1.087 -11.504 1.00 0.79 O ATOM 993 CB LEU A 64 4.729 2.081 -9.062 1.00 0.89 C ATOM 994 CG LEU A 64 3.920 3.111 -8.263 1.00 0.74 C ATOM 995 CD1 LEU A 64 4.255 2.945 -6.784 1.00 0.97 C ATOM 996 CD2 LEU A 64 4.233 4.546 -8.701 1.00 1.04 C ATOM 0 H LEU A 64 2.555 1.076 -9.538 1.00 0.69 H new ATOM 0 HA LEU A 64 4.300 2.782 -11.086 1.00 0.72 H new ATOM 0 HB2 LEU A 64 4.703 1.127 -8.536 1.00 0.89 H new ATOM 0 HB3 LEU A 64 5.771 2.399 -9.093 1.00 0.89 H new ATOM 0 HG LEU A 64 2.859 2.937 -8.445 1.00 0.74 H new ATOM 0 HD11 LEU A 64 3.689 3.670 -6.199 1.00 0.97 H new ATOM 0 HD12 LEU A 64 3.994 1.936 -6.463 1.00 0.97 H new ATOM 0 HD13 LEU A 64 5.322 3.110 -6.632 1.00 0.97 H new ATOM 0 HD21 LEU A 64 3.639 5.244 -8.111 1.00 1.04 H new ATOM 0 HD22 LEU A 64 5.293 4.750 -8.547 1.00 1.04 H new ATOM 0 HD23 LEU A 64 3.990 4.665 -9.757 1.00 1.04 H new ATOM 1008 N GLY A 65 4.613 -0.423 -11.307 1.00 0.70 N ATOM 1009 CA GLY A 65 5.331 -1.532 -11.915 1.00 0.73 C ATOM 1010 C GLY A 65 6.300 -2.215 -10.946 1.00 0.76 C ATOM 1011 O GLY A 65 7.278 -2.815 -11.389 1.00 0.85 O ATOM 0 H GLY A 65 3.673 -0.673 -10.999 1.00 0.70 H new ATOM 0 HA2 GLY A 65 4.613 -2.266 -12.281 1.00 0.73 H new ATOM 0 HA3 GLY A 65 5.886 -1.169 -12.780 1.00 0.73 H new ATOM 1015 N PHE A 66 6.024 -2.165 -9.637 1.00 0.81 N ATOM 1016 CA PHE A 66 6.822 -2.855 -8.625 1.00 0.90 C ATOM 1017 C PHE A 66 6.212 -4.205 -8.253 1.00 0.79 C ATOM 1018 O PHE A 66 5.007 -4.424 -8.379 1.00 0.72 O ATOM 1019 CB PHE A 66 6.977 -1.987 -7.367 1.00 1.01 C ATOM 1020 CG PHE A 66 8.027 -0.903 -7.497 1.00 1.17 C ATOM 1021 CD1 PHE A 66 9.390 -1.254 -7.553 1.00 2.56 C ATOM 1022 CD2 PHE A 66 7.652 0.450 -7.567 1.00 1.59 C ATOM 1023 CE1 PHE A 66 10.367 -0.260 -7.729 1.00 2.89 C ATOM 1024 CE2 PHE A 66 8.629 1.443 -7.760 1.00 1.99 C ATOM 1025 CZ PHE A 66 9.986 1.087 -7.846 1.00 2.13 C ATOM 0 H PHE A 66 5.237 -1.642 -9.252 1.00 0.81 H new ATOM 0 HA PHE A 66 7.807 -3.034 -9.057 1.00 0.90 H new ATOM 0 HB2 PHE A 66 6.017 -1.524 -7.136 1.00 1.01 H new ATOM 0 HB3 PHE A 66 7.233 -2.628 -6.524 1.00 1.01 H new ATOM 0 HD1 PHE A 66 9.684 -2.289 -7.460 1.00 2.56 H new ATOM 0 HD2 PHE A 66 6.612 0.727 -7.472 1.00 1.59 H new ATOM 0 HE1 PHE A 66 11.411 -0.532 -7.774 1.00 2.89 H new ATOM 0 HE2 PHE A 66 8.337 2.479 -7.842 1.00 1.99 H new ATOM 0 HZ PHE A 66 10.735 1.849 -8.002 1.00 2.13 H new ATOM 1035 N GLY A 67 7.053 -5.089 -7.711 1.00 0.81 N ATOM 1036 CA GLY A 67 6.637 -6.392 -7.230 1.00 0.73 C ATOM 1037 C GLY A 67 6.033 -6.224 -5.842 1.00 0.63 C ATOM 1038 O GLY A 67 6.700 -6.457 -4.831 1.00 0.67 O ATOM 0 H GLY A 67 8.051 -4.910 -7.596 1.00 0.81 H new ATOM 0 HA2 GLY A 67 5.907 -6.832 -7.910 1.00 0.73 H new ATOM 0 HA3 GLY A 67 7.488 -7.072 -7.193 1.00 0.73 H new ATOM 1042 N ALA A 68 4.771 -5.791 -5.820 1.00 0.61 N ATOM 1043 CA ALA A 68 3.960 -5.704 -4.615 1.00 0.53 C ATOM 1044 C ALA A 68 3.359 -7.080 -4.306 1.00 0.53 C ATOM 1045 O ALA A 68 3.363 -7.969 -5.156 1.00 0.84 O ATOM 1046 CB ALA A 68 2.859 -4.661 -4.819 1.00 0.61 C ATOM 0 H ALA A 68 4.279 -5.486 -6.660 1.00 0.61 H new ATOM 0 HA ALA A 68 4.576 -5.397 -3.770 1.00 0.53 H new ATOM 0 HB1 ALA A 68 2.250 -4.594 -3.918 1.00 0.61 H new ATOM 0 HB2 ALA A 68 3.311 -3.691 -5.025 1.00 0.61 H new ATOM 0 HB3 ALA A 68 2.231 -4.955 -5.660 1.00 0.61 H new ATOM 1052 N THR A 69 2.848 -7.263 -3.088 1.00 0.36 N ATOM 1053 CA THR A 69 2.312 -8.536 -2.626 1.00 0.46 C ATOM 1054 C THR A 69 1.321 -8.255 -1.503 1.00 0.39 C ATOM 1055 O THR A 69 1.708 -8.157 -0.339 1.00 0.61 O ATOM 1056 CB THR A 69 3.428 -9.526 -2.246 1.00 0.68 C ATOM 1057 OG1 THR A 69 2.945 -10.524 -1.371 1.00 1.39 O ATOM 1058 CG2 THR A 69 4.600 -8.820 -1.583 1.00 1.33 C ATOM 0 H THR A 69 2.796 -6.521 -2.390 1.00 0.36 H new ATOM 0 HA THR A 69 1.777 -9.038 -3.432 1.00 0.46 H new ATOM 0 HB THR A 69 3.768 -9.986 -3.174 1.00 0.68 H new ATOM 0 HG1 THR A 69 3.672 -11.141 -1.146 1.00 1.39 H new ATOM 0 HG21 THR A 69 5.368 -9.550 -1.329 1.00 1.33 H new ATOM 0 HG22 THR A 69 5.015 -8.081 -2.269 1.00 1.33 H new ATOM 0 HG23 THR A 69 4.259 -8.322 -0.676 1.00 1.33 H new ATOM 1066 N VAL A 70 0.050 -8.099 -1.867 1.00 0.49 N ATOM 1067 CA VAL A 70 -1.036 -7.863 -0.932 1.00 0.45 C ATOM 1068 C VAL A 70 -1.366 -9.157 -0.181 1.00 0.49 C ATOM 1069 O VAL A 70 -1.405 -10.231 -0.778 1.00 0.66 O ATOM 1070 CB VAL A 70 -2.220 -7.272 -1.716 1.00 0.54 C ATOM 1071 CG1 VAL A 70 -2.935 -8.304 -2.600 1.00 0.62 C ATOM 1072 CG2 VAL A 70 -3.248 -6.620 -0.789 1.00 0.62 C ATOM 0 H VAL A 70 -0.255 -8.135 -2.840 1.00 0.49 H new ATOM 0 HA VAL A 70 -0.761 -7.141 -0.163 1.00 0.45 H new ATOM 0 HB VAL A 70 -1.778 -6.515 -2.364 1.00 0.54 H new ATOM 0 HG11 VAL A 70 -3.760 -7.823 -3.126 1.00 0.62 H new ATOM 0 HG12 VAL A 70 -2.231 -8.712 -3.325 1.00 0.62 H new ATOM 0 HG13 VAL A 70 -3.322 -9.110 -1.977 1.00 0.62 H new ATOM 0 HG21 VAL A 70 -4.068 -6.215 -1.382 1.00 0.62 H new ATOM 0 HG22 VAL A 70 -3.636 -7.365 -0.095 1.00 0.62 H new ATOM 0 HG23 VAL A 70 -2.773 -5.814 -0.229 1.00 0.62 H new ATOM 1082 N ILE A 71 -1.581 -9.052 1.130 1.00 0.52 N ATOM 1083 CA ILE A 71 -1.933 -10.131 2.033 1.00 0.62 C ATOM 1084 C ILE A 71 -3.095 -9.615 2.885 1.00 0.81 C ATOM 1085 O ILE A 71 -3.036 -8.515 3.436 1.00 0.65 O ATOM 1086 CB ILE A 71 -0.720 -10.540 2.894 1.00 0.95 C ATOM 1087 CG1 ILE A 71 0.445 -11.015 2.002 1.00 1.52 C ATOM 1088 CG2 ILE A 71 -1.117 -11.624 3.911 1.00 2.77 C ATOM 1089 CD1 ILE A 71 1.688 -11.437 2.792 1.00 1.88 C ATOM 0 H ILE A 71 -1.508 -8.156 1.612 1.00 0.52 H new ATOM 0 HA ILE A 71 -2.230 -11.029 1.491 1.00 0.62 H new ATOM 0 HB ILE A 71 -0.382 -9.666 3.450 1.00 0.95 H new ATOM 0 HG12 ILE A 71 0.108 -11.855 1.395 1.00 1.52 H new ATOM 0 HG13 ILE A 71 0.716 -10.213 1.315 1.00 1.52 H new ATOM 0 HG21 ILE A 71 -0.247 -11.899 4.508 1.00 2.77 H new ATOM 0 HG22 ILE A 71 -1.900 -11.240 4.565 1.00 2.77 H new ATOM 0 HG23 ILE A 71 -1.485 -12.503 3.381 1.00 2.77 H new ATOM 0 HD11 ILE A 71 2.467 -11.759 2.101 1.00 1.88 H new ATOM 0 HD12 ILE A 71 2.050 -10.593 3.379 1.00 1.88 H new ATOM 0 HD13 ILE A 71 1.433 -12.260 3.460 1.00 1.88 H new