USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=13 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= -1.36 K(o=-2.6,f=-0.19) USER MOD Set 1.2: A 24 ASN : amide:sc= -1.27 K(o=-2.6,f=-0.99) USER MOD Set 2.1: A 6 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -24:sc= 0.237 USER MOD Single : A 3 SER OG : rot 53:sc= 1.23 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 89:sc= 0.585 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 29:sc= 0.204 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.797 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 -169:sc= 0 (180deg=-0.114) USER MOD Single : A 47 TYR OH : rot 30:sc= -0.179 USER MOD Single : A 48 ASN : amide:sc= -0.0278 K(o=-0.028,f=-0.63) USER MOD Single : A 53 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.27) USER MOD Single : A 56 MET CE :methyl 178:sc= 0 (180deg=-0.00568) USER MOD Single : A 69 THR OG1 : rot 39:sc= 0.848 USER MOD ----------------------------------------------------------------- ATOM 17 N SER A 2 -13.795 -2.213 8.399 1.00 1.33 N ATOM 18 CA SER A 2 -12.437 -1.753 8.173 1.00 0.90 C ATOM 19 C SER A 2 -11.494 -2.872 8.606 1.00 0.85 C ATOM 20 O SER A 2 -11.853 -3.626 9.509 1.00 1.46 O ATOM 21 CB SER A 2 -12.163 -0.454 8.940 1.00 1.24 C ATOM 22 OG SER A 2 -12.629 -0.556 10.272 1.00 2.26 O ATOM 0 HA SER A 2 -12.281 -1.525 7.119 1.00 0.90 H new ATOM 0 HB2 SER A 2 -11.094 -0.242 8.938 1.00 1.24 H new ATOM 0 HB3 SER A 2 -12.654 0.381 8.440 1.00 1.24 H new ATOM 0 HG SER A 2 -13.333 -1.236 10.321 1.00 2.26 H new ATOM 28 N SER A 3 -10.309 -2.973 8.003 1.00 0.58 N ATOM 29 CA SER A 3 -9.296 -3.947 8.384 1.00 0.51 C ATOM 30 C SER A 3 -7.907 -3.398 8.043 1.00 0.42 C ATOM 31 O SER A 3 -7.781 -2.334 7.432 1.00 0.51 O ATOM 32 CB SER A 3 -9.583 -5.312 7.730 1.00 0.75 C ATOM 33 OG SER A 3 -9.783 -5.180 6.341 1.00 2.01 O ATOM 0 H SER A 3 -10.026 -2.373 7.228 1.00 0.58 H new ATOM 0 HA SER A 3 -9.325 -4.114 9.461 1.00 0.51 H new ATOM 0 HB2 SER A 3 -8.750 -5.990 7.917 1.00 0.75 H new ATOM 0 HB3 SER A 3 -10.467 -5.758 8.186 1.00 0.75 H new ATOM 0 HG SER A 3 -9.027 -4.698 5.946 1.00 2.01 H new ATOM 39 N LYS A 4 -6.866 -4.101 8.493 1.00 0.42 N ATOM 40 CA LYS A 4 -5.470 -3.803 8.209 1.00 0.48 C ATOM 41 C LYS A 4 -5.095 -4.589 6.951 1.00 0.45 C ATOM 42 O LYS A 4 -5.121 -5.816 6.978 1.00 0.72 O ATOM 43 CB LYS A 4 -4.623 -4.221 9.423 1.00 0.71 C ATOM 44 CG LYS A 4 -4.938 -3.330 10.641 1.00 1.46 C ATOM 45 CD LYS A 4 -4.907 -4.083 11.985 1.00 2.20 C ATOM 46 CE LYS A 4 -3.643 -3.770 12.798 1.00 2.76 C ATOM 47 NZ LYS A 4 -3.700 -4.401 14.132 1.00 3.95 N ATOM 0 H LYS A 4 -6.981 -4.923 9.086 1.00 0.42 H new ATOM 0 HA LYS A 4 -5.295 -2.741 8.035 1.00 0.48 H new ATOM 0 HB2 LYS A 4 -4.821 -5.264 9.669 1.00 0.71 H new ATOM 0 HB3 LYS A 4 -3.564 -4.147 9.176 1.00 0.71 H new ATOM 0 HG2 LYS A 4 -4.219 -2.512 10.677 1.00 1.46 H new ATOM 0 HG3 LYS A 4 -5.923 -2.883 10.508 1.00 1.46 H new ATOM 0 HD2 LYS A 4 -5.788 -3.816 12.569 1.00 2.20 H new ATOM 0 HD3 LYS A 4 -4.961 -5.156 11.799 1.00 2.20 H new ATOM 0 HE2 LYS A 4 -2.764 -4.126 12.261 1.00 2.76 H new ATOM 0 HE3 LYS A 4 -3.535 -2.691 12.907 1.00 2.76 H new ATOM 0 HZ1 LYS A 4 -2.834 -4.174 14.661 1.00 3.95 H new ATOM 0 HZ2 LYS A 4 -4.527 -4.042 14.651 1.00 3.95 H new ATOM 0 HZ3 LYS A 4 -3.780 -5.432 14.025 1.00 3.95 H new ATOM 61 N CYS A 5 -4.783 -3.903 5.846 1.00 0.46 N ATOM 62 CA CYS A 5 -4.388 -4.563 4.608 1.00 0.57 C ATOM 63 C CYS A 5 -2.885 -4.790 4.658 1.00 0.50 C ATOM 64 O CYS A 5 -2.105 -3.834 4.699 1.00 0.53 O ATOM 65 CB CYS A 5 -4.750 -3.744 3.369 1.00 0.77 C ATOM 66 SG CYS A 5 -5.210 -4.876 2.047 1.00 1.61 S ATOM 0 H CYS A 5 -4.798 -2.885 5.789 1.00 0.46 H new ATOM 0 HA CYS A 5 -4.928 -5.506 4.527 1.00 0.57 H new ATOM 0 HB2 CYS A 5 -5.574 -3.066 3.591 1.00 0.77 H new ATOM 0 HB3 CYS A 5 -3.905 -3.128 3.063 1.00 0.77 H new ATOM 0 HG CYS A 5 -6.483 -5.131 2.117 1.00 1.61 H new ATOM 72 N TYR A 6 -2.476 -6.053 4.701 1.00 0.58 N ATOM 73 CA TYR A 6 -1.095 -6.414 4.940 1.00 0.65 C ATOM 74 C TYR A 6 -0.454 -6.647 3.578 1.00 0.64 C ATOM 75 O TYR A 6 -0.841 -7.569 2.863 1.00 0.77 O ATOM 76 CB TYR A 6 -1.064 -7.640 5.862 1.00 0.89 C ATOM 77 CG TYR A 6 0.064 -7.641 6.871 1.00 0.89 C ATOM 78 CD1 TYR A 6 0.062 -6.696 7.915 1.00 1.74 C ATOM 79 CD2 TYR A 6 1.029 -8.662 6.854 1.00 2.29 C ATOM 80 CE1 TYR A 6 1.008 -6.789 8.950 1.00 1.92 C ATOM 81 CE2 TYR A 6 1.922 -8.800 7.930 1.00 2.69 C ATOM 82 CZ TYR A 6 1.912 -7.863 8.978 1.00 1.85 C ATOM 83 OH TYR A 6 2.766 -8.019 10.029 1.00 2.44 O ATOM 0 H TYR A 6 -3.097 -6.851 4.570 1.00 0.58 H new ATOM 0 HA TYR A 6 -0.526 -5.635 5.448 1.00 0.65 H new ATOM 0 HB2 TYR A 6 -2.012 -7.700 6.396 1.00 0.89 H new ATOM 0 HB3 TYR A 6 -0.986 -8.538 5.249 1.00 0.89 H new ATOM 0 HD1 TYR A 6 -0.667 -5.899 7.920 1.00 1.74 H new ATOM 0 HD2 TYR A 6 1.084 -9.340 6.015 1.00 2.29 H new ATOM 0 HE1 TYR A 6 1.040 -6.035 9.723 1.00 1.92 H new ATOM 0 HE2 TYR A 6 2.617 -9.627 7.952 1.00 2.69 H new ATOM 0 HH TYR A 6 3.320 -8.814 9.885 1.00 2.44 H new ATOM 93 N ILE A 7 0.479 -5.781 3.180 1.00 0.57 N ATOM 94 CA ILE A 7 1.087 -5.833 1.861 1.00 0.55 C ATOM 95 C ILE A 7 2.571 -6.095 2.084 1.00 0.65 C ATOM 96 O ILE A 7 3.151 -5.605 3.051 1.00 0.65 O ATOM 97 CB ILE A 7 0.788 -4.543 1.055 1.00 0.48 C ATOM 98 CG1 ILE A 7 -0.614 -3.998 1.391 1.00 0.56 C ATOM 99 CG2 ILE A 7 0.900 -4.798 -0.459 1.00 0.49 C ATOM 100 CD1 ILE A 7 -1.145 -2.963 0.394 1.00 0.73 C ATOM 0 H ILE A 7 0.831 -5.025 3.768 1.00 0.57 H new ATOM 0 HA ILE A 7 0.670 -6.632 1.248 1.00 0.55 H new ATOM 0 HB ILE A 7 1.532 -3.799 1.339 1.00 0.48 H new ATOM 0 HG12 ILE A 7 -1.314 -4.833 1.437 1.00 0.56 H new ATOM 0 HG13 ILE A 7 -0.588 -3.549 2.384 1.00 0.56 H new ATOM 0 HG21 ILE A 7 0.685 -3.876 -1.000 1.00 0.49 H new ATOM 0 HG22 ILE A 7 1.910 -5.132 -0.698 1.00 0.49 H new ATOM 0 HG23 ILE A 7 0.185 -5.566 -0.753 1.00 0.49 H new ATOM 0 HD11 ILE A 7 -2.136 -2.633 0.706 1.00 0.73 H new ATOM 0 HD12 ILE A 7 -0.470 -2.108 0.363 1.00 0.73 H new ATOM 0 HD13 ILE A 7 -1.207 -3.411 -0.597 1.00 0.73 H new ATOM 112 N GLN A 8 3.199 -6.890 1.226 1.00 0.78 N ATOM 113 CA GLN A 8 4.645 -6.971 1.194 1.00 0.85 C ATOM 114 C GLN A 8 5.105 -6.473 -0.172 1.00 0.78 C ATOM 115 O GLN A 8 4.336 -6.465 -1.135 1.00 0.69 O ATOM 116 CB GLN A 8 5.110 -8.376 1.602 1.00 0.93 C ATOM 117 CG GLN A 8 6.631 -8.447 1.765 1.00 1.53 C ATOM 118 CD GLN A 8 7.063 -9.713 2.498 1.00 1.50 C ATOM 119 OE1 GLN A 8 7.604 -10.635 1.900 1.00 2.25 O ATOM 120 NE2 GLN A 8 6.831 -9.768 3.807 1.00 2.24 N ATOM 0 H GLN A 8 2.726 -7.485 0.546 1.00 0.78 H new ATOM 0 HA GLN A 8 5.122 -6.325 1.931 1.00 0.85 H new ATOM 0 HB2 GLN A 8 4.630 -8.660 2.539 1.00 0.93 H new ATOM 0 HB3 GLN A 8 4.791 -9.097 0.849 1.00 0.93 H new ATOM 0 HG2 GLN A 8 7.104 -8.416 0.783 1.00 1.53 H new ATOM 0 HG3 GLN A 8 6.979 -7.572 2.314 1.00 1.53 H new ATOM 0 HE21 GLN A 8 6.379 -8.985 4.278 1.00 2.24 H new ATOM 0 HE22 GLN A 8 7.106 -10.594 4.339 1.00 2.24 H new ATOM 129 N VAL A 9 6.333 -5.961 -0.197 1.00 0.86 N ATOM 130 CA VAL A 9 6.997 -5.341 -1.331 1.00 0.82 C ATOM 131 C VAL A 9 8.489 -5.572 -1.111 1.00 0.88 C ATOM 132 O VAL A 9 8.894 -5.911 0.001 1.00 1.30 O ATOM 133 CB VAL A 9 6.697 -3.828 -1.399 1.00 0.95 C ATOM 134 CG1 VAL A 9 5.420 -3.504 -2.176 1.00 2.32 C ATOM 135 CG2 VAL A 9 6.592 -3.196 -0.009 1.00 2.28 C ATOM 0 H VAL A 9 6.927 -5.971 0.632 1.00 0.86 H new ATOM 0 HA VAL A 9 6.649 -5.770 -2.271 1.00 0.82 H new ATOM 0 HB VAL A 9 7.547 -3.402 -1.932 1.00 0.95 H new ATOM 0 HG11 VAL A 9 5.265 -2.425 -2.187 1.00 2.32 H new ATOM 0 HG12 VAL A 9 5.514 -3.868 -3.199 1.00 2.32 H new ATOM 0 HG13 VAL A 9 4.569 -3.988 -1.696 1.00 2.32 H new ATOM 0 HG21 VAL A 9 6.380 -2.131 -0.108 1.00 2.28 H new ATOM 0 HG22 VAL A 9 5.788 -3.675 0.549 1.00 2.28 H new ATOM 0 HG23 VAL A 9 7.533 -3.330 0.524 1.00 2.28 H new ATOM 145 N THR A 10 9.301 -5.386 -2.152 1.00 0.84 N ATOM 146 CA THR A 10 10.746 -5.540 -2.077 1.00 1.10 C ATOM 147 C THR A 10 11.416 -4.319 -2.702 1.00 1.09 C ATOM 148 O THR A 10 11.135 -3.961 -3.843 1.00 1.51 O ATOM 149 CB THR A 10 11.165 -6.868 -2.728 1.00 1.34 C ATOM 150 OG1 THR A 10 10.501 -7.057 -3.962 1.00 1.52 O ATOM 151 CG2 THR A 10 10.821 -8.052 -1.818 1.00 2.13 C ATOM 0 H THR A 10 8.966 -5.122 -3.079 1.00 0.84 H new ATOM 0 HA THR A 10 11.076 -5.589 -1.039 1.00 1.10 H new ATOM 0 HB THR A 10 12.242 -6.821 -2.889 1.00 1.34 H new ATOM 0 HG1 THR A 10 10.784 -7.907 -4.359 1.00 1.52 H new ATOM 0 HG21 THR A 10 11.126 -8.981 -2.299 1.00 2.13 H new ATOM 0 HG22 THR A 10 11.345 -7.945 -0.868 1.00 2.13 H new ATOM 0 HG23 THR A 10 9.746 -8.073 -1.638 1.00 2.13 H new ATOM 218 N SER A 16 12.971 7.581 -2.258 1.00 1.38 N ATOM 219 CA SER A 16 11.680 8.239 -2.106 1.00 1.31 C ATOM 220 C SER A 16 10.562 7.563 -2.904 1.00 1.29 C ATOM 221 O SER A 16 9.755 8.241 -3.534 1.00 2.05 O ATOM 222 CB SER A 16 11.797 9.734 -2.437 1.00 1.59 C ATOM 223 OG SER A 16 12.865 10.310 -1.708 1.00 1.41 O ATOM 0 HA SER A 16 11.391 8.139 -1.060 1.00 1.31 H new ATOM 0 HB2 SER A 16 11.963 9.866 -3.506 1.00 1.59 H new ATOM 0 HB3 SER A 16 10.864 10.243 -2.194 1.00 1.59 H new ATOM 0 HG SER A 16 13.546 9.628 -1.532 1.00 1.41 H new ATOM 229 N CYS A 17 10.466 6.231 -2.820 1.00 0.96 N ATOM 230 CA CYS A 17 9.348 5.500 -3.412 1.00 0.94 C ATOM 231 C CYS A 17 8.091 5.655 -2.548 1.00 0.74 C ATOM 232 O CYS A 17 7.044 6.082 -3.036 1.00 0.80 O ATOM 233 CB CYS A 17 9.718 4.032 -3.698 1.00 1.03 C ATOM 234 SG CYS A 17 9.891 3.013 -2.217 1.00 3.17 S ATOM 0 H CYS A 17 11.151 5.641 -2.347 1.00 0.96 H new ATOM 0 HA CYS A 17 9.118 5.936 -4.384 1.00 0.94 H new ATOM 0 HB2 CYS A 17 8.953 3.594 -4.340 1.00 1.03 H new ATOM 0 HB3 CYS A 17 10.655 4.006 -4.255 1.00 1.03 H new ATOM 0 HG CYS A 17 10.200 1.798 -2.560 1.00 3.17 H new ATOM 240 N VAL A 18 8.181 5.323 -1.255 1.00 0.64 N ATOM 241 CA VAL A 18 7.001 5.191 -0.411 1.00 0.60 C ATOM 242 C VAL A 18 6.317 6.534 -0.239 1.00 0.61 C ATOM 243 O VAL A 18 5.097 6.610 -0.268 1.00 0.62 O ATOM 244 CB VAL A 18 7.342 4.517 0.926 1.00 0.59 C ATOM 245 CG1 VAL A 18 7.725 5.469 2.066 1.00 1.87 C ATOM 246 CG2 VAL A 18 6.144 3.671 1.367 1.00 1.75 C ATOM 0 H VAL A 18 9.063 5.142 -0.775 1.00 0.64 H new ATOM 0 HA VAL A 18 6.288 4.532 -0.907 1.00 0.60 H new ATOM 0 HB VAL A 18 8.233 3.918 0.736 1.00 0.59 H new ATOM 0 HG11 VAL A 18 7.946 4.891 2.964 1.00 1.87 H new ATOM 0 HG12 VAL A 18 8.605 6.045 1.779 1.00 1.87 H new ATOM 0 HG13 VAL A 18 6.896 6.148 2.267 1.00 1.87 H new ATOM 0 HG21 VAL A 18 6.371 3.185 2.316 1.00 1.75 H new ATOM 0 HG22 VAL A 18 5.271 4.312 1.487 1.00 1.75 H new ATOM 0 HG23 VAL A 18 5.936 2.913 0.612 1.00 1.75 H new ATOM 256 N ALA A 19 7.131 7.581 -0.120 1.00 0.74 N ATOM 257 CA ALA A 19 6.706 8.974 -0.103 1.00 0.96 C ATOM 258 C ALA A 19 5.532 9.224 -1.057 1.00 0.80 C ATOM 259 O ALA A 19 4.535 9.840 -0.684 1.00 0.82 O ATOM 260 CB ALA A 19 7.898 9.867 -0.458 1.00 1.28 C ATOM 0 H ALA A 19 8.142 7.476 -0.030 1.00 0.74 H new ATOM 0 HA ALA A 19 6.353 9.217 0.899 1.00 0.96 H new ATOM 0 HB1 ALA A 19 7.586 10.911 -0.447 1.00 1.28 H new ATOM 0 HB2 ALA A 19 8.694 9.718 0.272 1.00 1.28 H new ATOM 0 HB3 ALA A 19 8.263 9.608 -1.452 1.00 1.28 H new ATOM 266 N ASN A 20 5.639 8.743 -2.299 1.00 0.71 N ATOM 267 CA ASN A 20 4.590 8.969 -3.282 1.00 0.65 C ATOM 268 C ASN A 20 3.330 8.189 -2.903 1.00 0.54 C ATOM 269 O ASN A 20 2.255 8.771 -2.769 1.00 0.58 O ATOM 270 CB ASN A 20 5.095 8.602 -4.678 1.00 0.72 C ATOM 271 CG ASN A 20 4.124 9.076 -5.755 1.00 0.74 C ATOM 272 OD1 ASN A 20 3.665 10.211 -5.730 1.00 1.08 O ATOM 273 ND2 ASN A 20 3.822 8.220 -6.725 1.00 1.18 N ATOM 0 H ASN A 20 6.434 8.202 -2.639 1.00 0.71 H new ATOM 0 HA ASN A 20 4.325 10.026 -3.294 1.00 0.65 H new ATOM 0 HB2 ASN A 20 6.074 9.051 -4.844 1.00 0.72 H new ATOM 0 HB3 ASN A 20 5.223 7.522 -4.749 1.00 0.72 H new ATOM 0 HD21 ASN A 20 3.192 8.502 -7.476 1.00 1.18 H new ATOM 0 HD22 ASN A 20 4.220 7.281 -6.719 1.00 1.18 H new ATOM 280 N ILE A 21 3.472 6.877 -2.684 1.00 0.49 N ATOM 281 CA ILE A 21 2.388 6.000 -2.246 1.00 0.53 C ATOM 282 C ILE A 21 1.650 6.612 -1.050 1.00 0.59 C ATOM 283 O ILE A 21 0.421 6.656 -1.056 1.00 0.67 O ATOM 284 CB ILE A 21 2.936 4.591 -1.930 1.00 0.64 C ATOM 285 CG1 ILE A 21 3.301 3.840 -3.222 1.00 0.72 C ATOM 286 CG2 ILE A 21 1.916 3.773 -1.132 1.00 0.86 C ATOM 287 CD1 ILE A 21 4.263 2.670 -2.984 1.00 1.91 C ATOM 0 H ILE A 21 4.359 6.390 -2.809 1.00 0.49 H new ATOM 0 HA ILE A 21 1.663 5.897 -3.054 1.00 0.53 H new ATOM 0 HB ILE A 21 3.836 4.717 -1.328 1.00 0.64 H new ATOM 0 HG12 ILE A 21 2.390 3.465 -3.687 1.00 0.72 H new ATOM 0 HG13 ILE A 21 3.754 4.538 -3.926 1.00 0.72 H new ATOM 0 HG21 ILE A 21 2.326 2.785 -0.922 1.00 0.86 H new ATOM 0 HG22 ILE A 21 1.696 4.281 -0.193 1.00 0.86 H new ATOM 0 HG23 ILE A 21 0.999 3.670 -1.712 1.00 0.86 H new ATOM 0 HD11 ILE A 21 4.482 2.180 -3.933 1.00 1.91 H new ATOM 0 HD12 ILE A 21 5.189 3.043 -2.546 1.00 1.91 H new ATOM 0 HD13 ILE A 21 3.803 1.953 -2.304 1.00 1.91 H new ATOM 299 N GLU A 22 2.383 7.093 -0.042 1.00 0.66 N ATOM 300 CA GLU A 22 1.821 7.764 1.115 1.00 0.84 C ATOM 301 C GLU A 22 0.854 8.860 0.665 1.00 0.91 C ATOM 302 O GLU A 22 -0.339 8.804 0.965 1.00 1.06 O ATOM 303 CB GLU A 22 2.928 8.344 2.008 1.00 0.90 C ATOM 304 CG GLU A 22 3.604 7.325 2.940 1.00 0.91 C ATOM 305 CD GLU A 22 4.700 8.001 3.757 1.00 1.17 C ATOM 306 OE1 GLU A 22 5.479 8.764 3.147 1.00 2.16 O ATOM 307 OE2 GLU A 22 4.705 7.791 4.988 1.00 1.60 O ATOM 0 H GLU A 22 3.400 7.022 -0.014 1.00 0.66 H new ATOM 0 HA GLU A 22 1.270 7.032 1.706 1.00 0.84 H new ATOM 0 HB2 GLU A 22 3.690 8.795 1.372 1.00 0.90 H new ATOM 0 HB3 GLU A 22 2.504 9.145 2.614 1.00 0.90 H new ATOM 0 HG2 GLU A 22 2.863 6.885 3.607 1.00 0.91 H new ATOM 0 HG3 GLU A 22 4.028 6.511 2.353 1.00 0.91 H new ATOM 314 N ARG A 23 1.362 9.863 -0.059 1.00 0.92 N ATOM 315 CA ARG A 23 0.525 10.975 -0.491 1.00 1.00 C ATOM 316 C ARG A 23 -0.580 10.531 -1.459 1.00 1.03 C ATOM 317 O ARG A 23 -1.610 11.197 -1.532 1.00 1.32 O ATOM 318 CB ARG A 23 1.349 12.127 -1.079 1.00 1.12 C ATOM 319 CG ARG A 23 2.087 12.972 -0.024 1.00 1.64 C ATOM 320 CD ARG A 23 3.484 12.437 0.302 1.00 3.19 C ATOM 321 NE ARG A 23 4.289 13.432 1.031 1.00 4.02 N ATOM 322 CZ ARG A 23 4.527 13.475 2.354 1.00 5.33 C ATOM 323 NH1 ARG A 23 4.023 12.545 3.174 1.00 6.32 N ATOM 324 NH2 ARG A 23 5.273 14.469 2.852 1.00 6.24 N ATOM 0 H ARG A 23 2.337 9.924 -0.353 1.00 0.92 H new ATOM 0 HA ARG A 23 0.035 11.352 0.407 1.00 1.00 H new ATOM 0 HB2 ARG A 23 2.079 11.718 -1.778 1.00 1.12 H new ATOM 0 HB3 ARG A 23 0.688 12.777 -1.653 1.00 1.12 H new ATOM 0 HG2 ARG A 23 2.172 13.998 -0.383 1.00 1.64 H new ATOM 0 HG3 ARG A 23 1.493 13.002 0.890 1.00 1.64 H new ATOM 0 HD2 ARG A 23 3.396 11.530 0.900 1.00 3.19 H new ATOM 0 HD3 ARG A 23 3.994 12.162 -0.621 1.00 3.19 H new ATOM 0 HE ARG A 23 4.713 14.171 0.470 1.00 4.02 H new ATOM 0 HH11 ARG A 23 3.450 11.790 2.798 1.00 6.32 H new ATOM 0 HH12 ARG A 23 4.212 12.591 4.175 1.00 6.32 H new ATOM 0 HH21 ARG A 23 5.653 15.182 2.230 1.00 6.24 H new ATOM 0 HH22 ARG A 23 5.461 14.513 3.854 1.00 6.24 H new ATOM 338 N ASN A 24 -0.396 9.435 -2.197 1.00 0.81 N ATOM 339 CA ASN A 24 -1.434 8.910 -3.076 1.00 0.83 C ATOM 340 C ASN A 24 -2.582 8.328 -2.248 1.00 0.92 C ATOM 341 O ASN A 24 -3.711 8.813 -2.293 1.00 1.16 O ATOM 342 CB ASN A 24 -0.845 7.836 -4.003 1.00 0.70 C ATOM 343 CG ASN A 24 0.209 8.365 -4.965 1.00 1.99 C ATOM 344 OD1 ASN A 24 0.264 9.553 -5.267 1.00 3.05 O ATOM 345 ND2 ASN A 24 1.055 7.469 -5.458 1.00 2.47 N ATOM 0 H ASN A 24 0.468 8.893 -2.201 1.00 0.81 H new ATOM 0 HA ASN A 24 -1.824 9.724 -3.687 1.00 0.83 H new ATOM 0 HB2 ASN A 24 -0.404 7.046 -3.395 1.00 0.70 H new ATOM 0 HB3 ASN A 24 -1.653 7.383 -4.577 1.00 0.70 H new ATOM 0 HD21 ASN A 24 1.782 7.760 -6.112 1.00 2.47 H new ATOM 0 HD22 ASN A 24 0.978 6.490 -5.183 1.00 2.47 H new ATOM 352 N LEU A 25 -2.297 7.261 -1.501 1.00 0.80 N ATOM 353 CA LEU A 25 -3.302 6.390 -0.902 1.00 0.87 C ATOM 354 C LEU A 25 -3.780 6.868 0.475 1.00 0.61 C ATOM 355 O LEU A 25 -4.707 6.283 1.019 1.00 0.86 O ATOM 356 CB LEU A 25 -2.763 4.957 -0.818 1.00 1.14 C ATOM 357 CG LEU A 25 -2.992 4.095 -2.068 1.00 1.73 C ATOM 358 CD1 LEU A 25 -2.122 4.554 -3.239 1.00 2.55 C ATOM 359 CD2 LEU A 25 -2.664 2.630 -1.763 1.00 1.74 C ATOM 0 H LEU A 25 -1.341 6.974 -1.293 1.00 0.80 H new ATOM 0 HA LEU A 25 -4.176 6.421 -1.552 1.00 0.87 H new ATOM 0 HB2 LEU A 25 -1.692 5.000 -0.618 1.00 1.14 H new ATOM 0 HB3 LEU A 25 -3.227 4.461 0.035 1.00 1.14 H new ATOM 0 HG LEU A 25 -4.040 4.202 -2.346 1.00 1.73 H new ATOM 0 HD11 LEU A 25 -2.313 3.920 -4.105 1.00 2.55 H new ATOM 0 HD12 LEU A 25 -2.362 5.588 -3.487 1.00 2.55 H new ATOM 0 HD13 LEU A 25 -1.070 4.482 -2.961 1.00 2.55 H new ATOM 0 HD21 LEU A 25 -2.830 2.027 -2.656 1.00 1.74 H new ATOM 0 HD22 LEU A 25 -1.621 2.547 -1.457 1.00 1.74 H new ATOM 0 HD23 LEU A 25 -3.308 2.273 -0.959 1.00 1.74 H new ATOM 371 N ARG A 26 -3.155 7.902 1.048 1.00 0.55 N ATOM 372 CA ARG A 26 -3.470 8.559 2.322 1.00 0.61 C ATOM 373 C ARG A 26 -4.907 8.358 2.827 1.00 1.17 C ATOM 374 O ARG A 26 -5.128 8.026 3.989 1.00 1.82 O ATOM 375 CB ARG A 26 -3.151 10.057 2.173 1.00 0.72 C ATOM 376 CG ARG A 26 -3.888 10.714 0.995 1.00 2.55 C ATOM 377 CD ARG A 26 -3.344 12.096 0.625 1.00 3.23 C ATOM 378 NE ARG A 26 -3.783 13.167 1.530 1.00 3.96 N ATOM 379 CZ ARG A 26 -3.574 14.470 1.272 1.00 5.15 C ATOM 380 NH1 ARG A 26 -2.937 14.831 0.151 1.00 5.71 N ATOM 381 NH2 ARG A 26 -4.000 15.404 2.129 1.00 6.17 N ATOM 0 H ARG A 26 -2.350 8.337 0.596 1.00 0.55 H new ATOM 0 HA ARG A 26 -2.854 8.085 3.086 1.00 0.61 H new ATOM 0 HB2 ARG A 26 -3.418 10.573 3.095 1.00 0.72 H new ATOM 0 HB3 ARG A 26 -2.077 10.182 2.038 1.00 0.72 H new ATOM 0 HG2 ARG A 26 -3.819 10.061 0.125 1.00 2.55 H new ATOM 0 HG3 ARG A 26 -4.945 10.804 1.244 1.00 2.55 H new ATOM 0 HD2 ARG A 26 -2.255 12.059 0.622 1.00 3.23 H new ATOM 0 HD3 ARG A 26 -3.657 12.340 -0.390 1.00 3.23 H new ATOM 0 HE ARG A 26 -4.267 12.911 2.391 1.00 3.96 H new ATOM 0 HH11 ARG A 26 -2.613 14.119 -0.503 1.00 5.71 H new ATOM 0 HH12 ARG A 26 -2.776 15.818 -0.049 1.00 5.71 H new ATOM 0 HH21 ARG A 26 -4.486 15.129 2.983 1.00 6.17 H new ATOM 0 HH22 ARG A 26 -3.839 16.391 1.929 1.00 6.17 H new ATOM 395 N ARG A 27 -5.864 8.628 1.943 1.00 1.48 N ATOM 396 CA ARG A 27 -7.296 8.463 2.129 1.00 2.34 C ATOM 397 C ARG A 27 -7.890 7.659 0.971 1.00 1.80 C ATOM 398 O ARG A 27 -8.692 6.749 1.192 1.00 2.71 O ATOM 399 CB ARG A 27 -7.975 9.833 2.231 1.00 3.42 C ATOM 400 CG ARG A 27 -7.427 10.629 3.420 1.00 4.33 C ATOM 401 CD ARG A 27 -8.381 11.738 3.896 1.00 5.23 C ATOM 402 NE ARG A 27 -8.268 12.986 3.120 1.00 5.04 N ATOM 403 CZ ARG A 27 -8.931 13.299 1.993 1.00 5.07 C ATOM 404 NH1 ARG A 27 -9.695 12.391 1.380 1.00 5.38 N ATOM 405 NH2 ARG A 27 -8.825 14.533 1.484 1.00 5.53 N ATOM 0 H ARG A 27 -5.640 8.992 1.017 1.00 1.48 H new ATOM 0 HA ARG A 27 -7.470 7.917 3.056 1.00 2.34 H new ATOM 0 HB2 ARG A 27 -7.814 10.392 1.309 1.00 3.42 H new ATOM 0 HB3 ARG A 27 -9.052 9.702 2.341 1.00 3.42 H new ATOM 0 HG2 ARG A 27 -7.232 9.947 4.247 1.00 4.33 H new ATOM 0 HG3 ARG A 27 -6.472 11.074 3.142 1.00 4.33 H new ATOM 0 HD2 ARG A 27 -9.407 11.374 3.836 1.00 5.23 H new ATOM 0 HD3 ARG A 27 -8.180 11.953 4.946 1.00 5.23 H new ATOM 0 HE ARG A 27 -7.618 13.687 3.476 1.00 5.04 H new ATOM 0 HH11 ARG A 27 -9.779 11.451 1.766 1.00 5.38 H new ATOM 0 HH12 ARG A 27 -10.194 12.638 0.525 1.00 5.38 H new ATOM 0 HH21 ARG A 27 -8.244 15.229 1.951 1.00 5.53 H new ATOM 0 HH22 ARG A 27 -9.325 14.777 0.629 1.00 5.53 H new ATOM 419 N GLU A 28 -7.505 8.008 -0.265 1.00 0.94 N ATOM 420 CA GLU A 28 -7.984 7.331 -1.459 1.00 0.84 C ATOM 421 C GLU A 28 -9.522 7.279 -1.453 1.00 1.05 C ATOM 422 O GLU A 28 -10.144 8.201 -0.919 1.00 2.13 O ATOM 423 CB GLU A 28 -7.304 5.957 -1.498 1.00 0.88 C ATOM 424 CG GLU A 28 -6.993 5.469 -2.915 1.00 1.18 C ATOM 425 CD GLU A 28 -7.604 4.096 -3.138 1.00 1.64 C ATOM 426 OE1 GLU A 28 -8.854 4.058 -3.091 1.00 2.56 O ATOM 427 OE2 GLU A 28 -6.833 3.124 -3.270 1.00 2.25 O ATOM 0 H GLU A 28 -6.853 8.769 -0.455 1.00 0.94 H new ATOM 0 HA GLU A 28 -7.725 7.862 -2.375 1.00 0.84 H new ATOM 0 HB2 GLU A 28 -6.377 6.003 -0.927 1.00 0.88 H new ATOM 0 HB3 GLU A 28 -7.947 5.228 -1.004 1.00 0.88 H new ATOM 0 HG2 GLU A 28 -7.387 6.175 -3.646 1.00 1.18 H new ATOM 0 HG3 GLU A 28 -5.914 5.425 -3.065 1.00 1.18 H new ATOM 434 N GLU A 29 -10.127 6.205 -1.973 1.00 0.84 N ATOM 435 CA GLU A 29 -11.557 5.939 -1.862 1.00 1.11 C ATOM 436 C GLU A 29 -11.791 4.758 -0.915 1.00 0.88 C ATOM 437 O GLU A 29 -12.487 3.800 -1.250 1.00 1.13 O ATOM 438 CB GLU A 29 -12.149 5.702 -3.261 1.00 1.71 C ATOM 439 CG GLU A 29 -12.273 7.007 -4.063 1.00 2.32 C ATOM 440 CD GLU A 29 -13.472 7.833 -3.607 1.00 2.61 C ATOM 441 OE1 GLU A 29 -14.590 7.491 -4.049 1.00 3.19 O ATOM 442 OE2 GLU A 29 -13.256 8.779 -2.821 1.00 3.47 O ATOM 0 H GLU A 29 -9.623 5.486 -2.492 1.00 0.84 H new ATOM 0 HA GLU A 29 -12.070 6.801 -1.435 1.00 1.11 H new ATOM 0 HB2 GLU A 29 -11.519 5.000 -3.807 1.00 1.71 H new ATOM 0 HB3 GLU A 29 -13.132 5.241 -3.165 1.00 1.71 H new ATOM 0 HG2 GLU A 29 -11.361 7.593 -3.948 1.00 2.32 H new ATOM 0 HG3 GLU A 29 -12.372 6.775 -5.123 1.00 2.32 H new ATOM 449 N GLY A 30 -11.251 4.862 0.304 1.00 0.81 N ATOM 450 CA GLY A 30 -11.563 3.950 1.403 1.00 0.65 C ATOM 451 C GLY A 30 -10.324 3.383 2.089 1.00 0.56 C ATOM 452 O GLY A 30 -10.352 2.246 2.565 1.00 0.95 O ATOM 0 H GLY A 30 -10.580 5.588 0.555 1.00 0.81 H new ATOM 0 HA2 GLY A 30 -12.169 4.476 2.141 1.00 0.65 H new ATOM 0 HA3 GLY A 30 -12.167 3.127 1.022 1.00 0.65 H new ATOM 456 N ILE A 31 -9.256 4.178 2.180 1.00 0.41 N ATOM 457 CA ILE A 31 -8.077 3.890 2.980 1.00 0.36 C ATOM 458 C ILE A 31 -8.089 4.832 4.191 1.00 0.45 C ATOM 459 O ILE A 31 -8.562 5.963 4.098 1.00 0.58 O ATOM 460 CB ILE A 31 -6.819 4.017 2.102 1.00 0.46 C ATOM 461 CG1 ILE A 31 -6.944 3.050 0.908 1.00 0.65 C ATOM 462 CG2 ILE A 31 -5.535 3.740 2.895 1.00 0.86 C ATOM 463 CD1 ILE A 31 -5.698 3.002 0.033 1.00 1.63 C ATOM 0 H ILE A 31 -9.192 5.066 1.682 1.00 0.41 H new ATOM 0 HA ILE A 31 -8.075 2.868 3.359 1.00 0.36 H new ATOM 0 HB ILE A 31 -6.748 5.043 1.742 1.00 0.46 H new ATOM 0 HG12 ILE A 31 -7.154 2.048 1.282 1.00 0.65 H new ATOM 0 HG13 ILE A 31 -7.796 3.348 0.297 1.00 0.65 H new ATOM 0 HG21 ILE A 31 -4.672 3.841 2.237 1.00 0.86 H new ATOM 0 HG22 ILE A 31 -5.452 4.454 3.714 1.00 0.86 H new ATOM 0 HG23 ILE A 31 -5.568 2.728 3.298 1.00 0.86 H new ATOM 0 HD11 ILE A 31 -5.856 2.302 -0.787 1.00 1.63 H new ATOM 0 HD12 ILE A 31 -5.498 3.995 -0.371 1.00 1.63 H new ATOM 0 HD13 ILE A 31 -4.847 2.675 0.630 1.00 1.63 H new ATOM 475 N TYR A 32 -7.615 4.350 5.342 1.00 0.45 N ATOM 476 CA TYR A 32 -7.493 5.112 6.580 1.00 0.58 C ATOM 477 C TYR A 32 -6.038 5.253 7.028 1.00 0.58 C ATOM 478 O TYR A 32 -5.736 6.146 7.815 1.00 0.77 O ATOM 479 CB TYR A 32 -8.308 4.449 7.691 1.00 0.66 C ATOM 480 CG TYR A 32 -9.807 4.540 7.517 1.00 0.72 C ATOM 481 CD1 TYR A 32 -10.459 5.755 7.797 1.00 2.11 C ATOM 482 CD2 TYR A 32 -10.561 3.399 7.187 1.00 1.85 C ATOM 483 CE1 TYR A 32 -11.862 5.820 7.792 1.00 2.09 C ATOM 484 CE2 TYR A 32 -11.965 3.465 7.183 1.00 1.98 C ATOM 485 CZ TYR A 32 -12.614 4.672 7.492 1.00 1.01 C ATOM 486 OH TYR A 32 -13.975 4.714 7.535 1.00 1.22 O ATOM 0 H TYR A 32 -7.296 3.386 5.438 1.00 0.45 H new ATOM 0 HA TYR A 32 -7.881 6.111 6.382 1.00 0.58 H new ATOM 0 HB2 TYR A 32 -8.026 3.398 7.751 1.00 0.66 H new ATOM 0 HB3 TYR A 32 -8.038 4.906 8.643 1.00 0.66 H new ATOM 0 HD1 TYR A 32 -9.879 6.640 8.016 1.00 2.11 H new ATOM 0 HD2 TYR A 32 -10.062 2.474 6.937 1.00 1.85 H new ATOM 0 HE1 TYR A 32 -12.362 6.750 8.018 1.00 2.09 H new ATOM 0 HE2 TYR A 32 -12.546 2.587 6.942 1.00 1.98 H new ATOM 0 HH TYR A 32 -14.337 3.834 7.299 1.00 1.22 H new ATOM 496 N SER A 33 -5.138 4.366 6.593 1.00 0.49 N ATOM 497 CA SER A 33 -3.708 4.609 6.707 1.00 0.62 C ATOM 498 C SER A 33 -2.993 3.787 5.643 1.00 0.62 C ATOM 499 O SER A 33 -3.562 2.837 5.107 1.00 0.53 O ATOM 500 CB SER A 33 -3.167 4.300 8.107 1.00 0.78 C ATOM 501 OG SER A 33 -1.860 4.831 8.218 1.00 1.29 O ATOM 0 H SER A 33 -5.380 3.475 6.160 1.00 0.49 H new ATOM 0 HA SER A 33 -3.521 5.671 6.547 1.00 0.62 H new ATOM 0 HB2 SER A 33 -3.817 4.734 8.867 1.00 0.78 H new ATOM 0 HB3 SER A 33 -3.153 3.223 8.277 1.00 0.78 H new ATOM 0 HG SER A 33 -1.504 4.641 9.111 1.00 1.29 H new ATOM 507 N ILE A 34 -1.763 4.188 5.339 1.00 0.86 N ATOM 508 CA ILE A 34 -0.965 3.698 4.229 1.00 1.00 C ATOM 509 C ILE A 34 0.332 3.034 4.713 1.00 0.84 C ATOM 510 O ILE A 34 0.683 3.113 5.888 1.00 0.90 O ATOM 511 CB ILE A 34 -0.735 4.890 3.287 1.00 1.47 C ATOM 512 CG1 ILE A 34 -0.148 4.508 1.921 1.00 3.78 C ATOM 513 CG2 ILE A 34 0.144 5.951 3.965 1.00 1.58 C ATOM 514 CD1 ILE A 34 -0.888 3.340 1.258 1.00 5.67 C ATOM 0 H ILE A 34 -1.276 4.897 5.888 1.00 0.86 H new ATOM 0 HA ILE A 34 -1.482 2.907 3.687 1.00 1.00 H new ATOM 0 HB ILE A 34 -1.724 5.300 3.085 1.00 1.47 H new ATOM 0 HG12 ILE A 34 -0.183 5.375 1.261 1.00 3.78 H new ATOM 0 HG13 ILE A 34 0.902 4.243 2.044 1.00 3.78 H new ATOM 0 HG21 ILE A 34 0.296 6.787 3.283 1.00 1.58 H new ATOM 0 HG22 ILE A 34 -0.348 6.306 4.871 1.00 1.58 H new ATOM 0 HG23 ILE A 34 1.108 5.514 4.223 1.00 1.58 H new ATOM 0 HD11 ILE A 34 -0.427 3.116 0.296 1.00 5.67 H new ATOM 0 HD12 ILE A 34 -0.831 2.461 1.901 1.00 5.67 H new ATOM 0 HD13 ILE A 34 -1.933 3.611 1.106 1.00 5.67 H new ATOM 526 N LEU A 35 1.052 2.383 3.794 1.00 0.86 N ATOM 527 CA LEU A 35 2.094 1.438 4.091 1.00 0.82 C ATOM 528 C LEU A 35 3.387 2.122 4.478 1.00 0.78 C ATOM 529 O LEU A 35 3.954 2.904 3.719 1.00 1.05 O ATOM 530 CB LEU A 35 2.347 0.496 2.912 1.00 0.91 C ATOM 531 CG LEU A 35 2.537 1.104 1.507 1.00 0.92 C ATOM 532 CD1 LEU A 35 3.975 0.896 1.018 1.00 1.72 C ATOM 533 CD2 LEU A 35 1.608 0.416 0.497 1.00 1.95 C ATOM 0 H LEU A 35 0.908 2.515 2.793 1.00 0.86 H new ATOM 0 HA LEU A 35 1.745 0.855 4.943 1.00 0.82 H new ATOM 0 HB2 LEU A 35 3.237 -0.090 3.142 1.00 0.91 H new ATOM 0 HB3 LEU A 35 1.511 -0.201 2.860 1.00 0.91 H new ATOM 0 HG LEU A 35 2.309 2.167 1.579 1.00 0.92 H new ATOM 0 HD11 LEU A 35 4.088 1.332 0.025 1.00 1.72 H new ATOM 0 HD12 LEU A 35 4.667 1.379 1.708 1.00 1.72 H new ATOM 0 HD13 LEU A 35 4.193 -0.171 0.973 1.00 1.72 H new ATOM 0 HD21 LEU A 35 1.754 0.856 -0.490 1.00 1.95 H new ATOM 0 HD22 LEU A 35 1.838 -0.649 0.457 1.00 1.95 H new ATOM 0 HD23 LEU A 35 0.571 0.552 0.805 1.00 1.95 H new ATOM 545 N VAL A 36 3.852 1.763 5.671 1.00 0.52 N ATOM 546 CA VAL A 36 5.005 2.363 6.291 1.00 0.36 C ATOM 547 C VAL A 36 5.719 1.359 7.200 1.00 0.33 C ATOM 548 O VAL A 36 5.684 1.464 8.422 1.00 0.48 O ATOM 549 CB VAL A 36 4.540 3.648 6.999 1.00 0.53 C ATOM 550 CG1 VAL A 36 3.536 3.360 8.127 1.00 0.64 C ATOM 551 CG2 VAL A 36 5.741 4.464 7.479 1.00 0.69 C ATOM 0 H VAL A 36 3.422 1.031 6.236 1.00 0.52 H new ATOM 0 HA VAL A 36 5.758 2.644 5.554 1.00 0.36 H new ATOM 0 HB VAL A 36 4.001 4.254 6.270 1.00 0.53 H new ATOM 0 HG11 VAL A 36 3.237 4.297 8.596 1.00 0.64 H new ATOM 0 HG12 VAL A 36 2.657 2.865 7.714 1.00 0.64 H new ATOM 0 HG13 VAL A 36 4.001 2.713 8.871 1.00 0.64 H new ATOM 0 HG21 VAL A 36 5.391 5.368 7.977 1.00 0.69 H new ATOM 0 HG22 VAL A 36 6.329 3.869 8.178 1.00 0.69 H new ATOM 0 HG23 VAL A 36 6.360 4.737 6.625 1.00 0.69 H new ATOM 561 N ALA A 37 6.425 0.392 6.609 1.00 0.35 N ATOM 562 CA ALA A 37 7.409 -0.377 7.356 1.00 0.36 C ATOM 563 C ALA A 37 8.696 -0.493 6.539 1.00 0.40 C ATOM 564 O ALA A 37 9.365 -1.526 6.553 1.00 0.46 O ATOM 565 CB ALA A 37 6.812 -1.697 7.856 1.00 0.36 C ATOM 0 H ALA A 37 6.332 0.129 5.628 1.00 0.35 H new ATOM 0 HA ALA A 37 7.693 0.142 8.272 1.00 0.36 H new ATOM 0 HB1 ALA A 37 7.569 -2.252 8.411 1.00 0.36 H new ATOM 0 HB2 ALA A 37 5.964 -1.489 8.508 1.00 0.36 H new ATOM 0 HB3 ALA A 37 6.478 -2.291 7.005 1.00 0.36 H new ATOM 571 N LEU A 38 9.078 0.614 5.887 1.00 0.46 N ATOM 572 CA LEU A 38 10.367 0.788 5.220 1.00 0.52 C ATOM 573 C LEU A 38 11.503 0.508 6.208 1.00 0.59 C ATOM 574 O LEU A 38 12.513 -0.074 5.827 1.00 0.68 O ATOM 575 CB LEU A 38 10.434 2.200 4.605 1.00 0.63 C ATOM 576 CG LEU A 38 11.621 2.453 3.650 1.00 0.63 C ATOM 577 CD1 LEU A 38 11.258 3.563 2.652 1.00 0.97 C ATOM 578 CD2 LEU A 38 12.913 2.879 4.360 1.00 1.25 C ATOM 0 H LEU A 38 8.478 1.435 5.809 1.00 0.46 H new ATOM 0 HA LEU A 38 10.479 0.074 4.404 1.00 0.52 H new ATOM 0 HB2 LEU A 38 9.507 2.385 4.062 1.00 0.63 H new ATOM 0 HB3 LEU A 38 10.480 2.928 5.415 1.00 0.63 H new ATOM 0 HG LEU A 38 11.807 1.498 3.158 1.00 0.63 H new ATOM 0 HD11 LEU A 38 12.099 3.738 1.981 1.00 0.97 H new ATOM 0 HD12 LEU A 38 10.387 3.260 2.071 1.00 0.97 H new ATOM 0 HD13 LEU A 38 11.031 4.480 3.195 1.00 0.97 H new ATOM 0 HD21 LEU A 38 13.699 3.037 3.621 1.00 1.25 H new ATOM 0 HD22 LEU A 38 12.739 3.805 4.908 1.00 1.25 H new ATOM 0 HD23 LEU A 38 13.221 2.098 5.055 1.00 1.25 H new ATOM 590 N MET A 39 11.295 0.855 7.488 1.00 0.65 N ATOM 591 CA MET A 39 12.184 0.538 8.605 1.00 0.81 C ATOM 592 C MET A 39 12.781 -0.872 8.534 1.00 0.82 C ATOM 593 O MET A 39 13.921 -1.073 8.944 1.00 0.96 O ATOM 594 CB MET A 39 11.478 0.774 9.953 1.00 0.95 C ATOM 595 CG MET A 39 10.143 0.028 10.103 1.00 1.84 C ATOM 596 SD MET A 39 9.455 -0.098 11.775 1.00 2.90 S ATOM 597 CE MET A 39 10.640 -1.219 12.556 1.00 3.58 C ATOM 0 H MET A 39 10.472 1.383 7.779 1.00 0.65 H new ATOM 0 HA MET A 39 13.028 1.223 8.524 1.00 0.81 H new ATOM 0 HB2 MET A 39 12.145 0.468 10.759 1.00 0.95 H new ATOM 0 HB3 MET A 39 11.300 1.842 10.075 1.00 0.95 H new ATOM 0 HG2 MET A 39 9.406 0.522 9.470 1.00 1.84 H new ATOM 0 HG3 MET A 39 10.273 -0.982 9.713 1.00 1.84 H new ATOM 0 HE1 MET A 39 10.250 -1.547 13.520 1.00 3.58 H new ATOM 0 HE2 MET A 39 10.798 -2.086 11.915 1.00 3.58 H new ATOM 0 HE3 MET A 39 11.587 -0.701 12.705 1.00 3.58 H new ATOM 607 N ALA A 40 12.004 -1.839 8.040 1.00 0.74 N ATOM 608 CA ALA A 40 12.437 -3.219 7.876 1.00 0.85 C ATOM 609 C ALA A 40 12.416 -3.634 6.403 1.00 0.85 C ATOM 610 O ALA A 40 13.332 -4.305 5.938 1.00 1.11 O ATOM 611 CB ALA A 40 11.533 -4.100 8.732 1.00 0.89 C ATOM 0 H ALA A 40 11.043 -1.677 7.740 1.00 0.74 H new ATOM 0 HA ALA A 40 13.470 -3.332 8.206 1.00 0.85 H new ATOM 0 HB1 ALA A 40 11.836 -5.142 8.628 1.00 0.89 H new ATOM 0 HB2 ALA A 40 11.617 -3.801 9.777 1.00 0.89 H new ATOM 0 HB3 ALA A 40 10.500 -3.988 8.404 1.00 0.89 H new ATOM 617 N GLY A 41 11.360 -3.252 5.680 1.00 0.69 N ATOM 618 CA GLY A 41 11.138 -3.584 4.283 1.00 0.79 C ATOM 619 C GLY A 41 9.769 -4.245 4.131 1.00 0.77 C ATOM 620 O GLY A 41 9.660 -5.336 3.579 1.00 0.98 O ATOM 0 H GLY A 41 10.611 -2.681 6.073 1.00 0.69 H new ATOM 0 HA2 GLY A 41 11.189 -2.684 3.671 1.00 0.79 H new ATOM 0 HA3 GLY A 41 11.920 -4.256 3.928 1.00 0.79 H new ATOM 624 N LYS A 42 8.726 -3.593 4.651 1.00 0.58 N ATOM 625 CA LYS A 42 7.366 -4.111 4.727 1.00 0.63 C ATOM 626 C LYS A 42 6.375 -2.952 4.592 1.00 0.53 C ATOM 627 O LYS A 42 6.783 -1.791 4.535 1.00 0.45 O ATOM 628 CB LYS A 42 7.189 -4.838 6.067 1.00 0.79 C ATOM 629 CG LYS A 42 7.516 -6.333 5.969 1.00 0.76 C ATOM 630 CD LYS A 42 7.675 -6.967 7.358 1.00 1.45 C ATOM 631 CE LYS A 42 6.504 -6.594 8.280 1.00 2.14 C ATOM 632 NZ LYS A 42 6.564 -7.298 9.579 1.00 3.16 N ATOM 0 H LYS A 42 8.813 -2.656 5.044 1.00 0.58 H new ATOM 0 HA LYS A 42 7.178 -4.817 3.918 1.00 0.63 H new ATOM 0 HB2 LYS A 42 7.833 -4.376 6.815 1.00 0.79 H new ATOM 0 HB3 LYS A 42 6.162 -4.715 6.411 1.00 0.79 H new ATOM 0 HG2 LYS A 42 6.723 -6.845 5.423 1.00 0.76 H new ATOM 0 HG3 LYS A 42 8.435 -6.469 5.399 1.00 0.76 H new ATOM 0 HD2 LYS A 42 7.733 -8.051 7.261 1.00 1.45 H new ATOM 0 HD3 LYS A 42 8.612 -6.637 7.806 1.00 1.45 H new ATOM 0 HE2 LYS A 42 6.509 -5.518 8.452 1.00 2.14 H new ATOM 0 HE3 LYS A 42 5.564 -6.833 7.783 1.00 2.14 H new ATOM 0 HZ1 LYS A 42 5.754 -7.014 10.166 1.00 3.16 H new ATOM 0 HZ2 LYS A 42 6.532 -8.325 9.419 1.00 3.16 H new ATOM 0 HZ3 LYS A 42 7.448 -7.051 10.067 1.00 3.16 H new ATOM 646 N ALA A 43 5.074 -3.265 4.554 1.00 0.59 N ATOM 647 CA ALA A 43 4.036 -2.322 4.188 1.00 0.58 C ATOM 648 C ALA A 43 2.714 -2.646 4.894 1.00 0.53 C ATOM 649 O ALA A 43 2.161 -3.731 4.722 1.00 0.55 O ATOM 650 CB ALA A 43 3.908 -2.375 2.665 1.00 0.73 C ATOM 0 H ALA A 43 4.719 -4.194 4.781 1.00 0.59 H new ATOM 0 HA ALA A 43 4.295 -1.312 4.507 1.00 0.58 H new ATOM 0 HB1 ALA A 43 3.135 -1.679 2.340 1.00 0.73 H new ATOM 0 HB2 ALA A 43 4.859 -2.099 2.210 1.00 0.73 H new ATOM 0 HB3 ALA A 43 3.638 -3.385 2.357 1.00 0.73 H new ATOM 656 N GLU A 44 2.203 -1.702 5.694 1.00 0.52 N ATOM 657 CA GLU A 44 0.995 -1.920 6.493 1.00 0.50 C ATOM 658 C GLU A 44 -0.048 -0.870 6.118 1.00 0.56 C ATOM 659 O GLU A 44 0.019 0.260 6.592 1.00 0.84 O ATOM 660 CB GLU A 44 1.341 -1.912 7.992 1.00 0.52 C ATOM 661 CG GLU A 44 0.113 -2.308 8.828 1.00 2.05 C ATOM 662 CD GLU A 44 0.441 -2.596 10.290 1.00 2.05 C ATOM 663 OE1 GLU A 44 1.498 -3.221 10.525 1.00 2.63 O ATOM 664 OE2 GLU A 44 -0.392 -2.221 11.144 1.00 2.90 O ATOM 0 H GLU A 44 2.612 -0.774 5.804 1.00 0.52 H new ATOM 0 HA GLU A 44 0.568 -2.900 6.280 1.00 0.50 H new ATOM 0 HB2 GLU A 44 2.160 -2.605 8.186 1.00 0.52 H new ATOM 0 HB3 GLU A 44 1.685 -0.921 8.287 1.00 0.52 H new ATOM 0 HG2 GLU A 44 -0.624 -1.506 8.780 1.00 2.05 H new ATOM 0 HG3 GLU A 44 -0.348 -3.191 8.386 1.00 2.05 H new ATOM 671 N VAL A 45 -0.986 -1.228 5.238 1.00 0.59 N ATOM 672 CA VAL A 45 -2.071 -0.348 4.829 1.00 0.62 C ATOM 673 C VAL A 45 -3.271 -0.647 5.726 1.00 0.52 C ATOM 674 O VAL A 45 -3.314 -1.669 6.407 1.00 0.83 O ATOM 675 CB VAL A 45 -2.359 -0.568 3.331 1.00 0.95 C ATOM 676 CG1 VAL A 45 -3.457 0.337 2.754 1.00 2.03 C ATOM 677 CG2 VAL A 45 -1.083 -0.367 2.521 1.00 2.43 C ATOM 0 H VAL A 45 -1.010 -2.144 4.789 1.00 0.59 H new ATOM 0 HA VAL A 45 -1.817 0.706 4.945 1.00 0.62 H new ATOM 0 HB VAL A 45 -2.725 -1.592 3.254 1.00 0.95 H new ATOM 0 HG11 VAL A 45 -3.593 0.114 1.696 1.00 2.03 H new ATOM 0 HG12 VAL A 45 -4.392 0.159 3.286 1.00 2.03 H new ATOM 0 HG13 VAL A 45 -3.166 1.381 2.870 1.00 2.03 H new ATOM 0 HG21 VAL A 45 -1.295 -0.524 1.463 1.00 2.43 H new ATOM 0 HG22 VAL A 45 -0.713 0.648 2.670 1.00 2.43 H new ATOM 0 HG23 VAL A 45 -0.327 -1.080 2.850 1.00 2.43 H new ATOM 687 N ARG A 46 -4.260 0.243 5.754 1.00 0.52 N ATOM 688 CA ARG A 46 -5.451 0.085 6.564 1.00 0.39 C ATOM 689 C ARG A 46 -6.626 0.639 5.771 1.00 0.33 C ATOM 690 O ARG A 46 -6.556 1.777 5.312 1.00 0.44 O ATOM 691 CB ARG A 46 -5.206 0.796 7.893 1.00 0.74 C ATOM 692 CG ARG A 46 -6.405 0.703 8.834 1.00 0.87 C ATOM 693 CD ARG A 46 -5.951 1.085 10.247 1.00 1.50 C ATOM 694 NE ARG A 46 -7.078 1.537 11.079 1.00 1.68 N ATOM 695 CZ ARG A 46 -7.438 2.817 11.278 1.00 2.24 C ATOM 696 NH1 ARG A 46 -6.803 3.806 10.637 1.00 3.03 N ATOM 697 NH2 ARG A 46 -8.437 3.103 12.121 1.00 3.22 N ATOM 0 H ARG A 46 -4.250 1.103 5.205 1.00 0.52 H new ATOM 0 HA ARG A 46 -5.684 -0.954 6.796 1.00 0.39 H new ATOM 0 HB2 ARG A 46 -4.332 0.361 8.379 1.00 0.74 H new ATOM 0 HB3 ARG A 46 -4.977 1.845 7.704 1.00 0.74 H new ATOM 0 HG2 ARG A 46 -7.200 1.369 8.500 1.00 0.87 H new ATOM 0 HG3 ARG A 46 -6.812 -0.308 8.828 1.00 0.87 H new ATOM 0 HD2 ARG A 46 -5.471 0.228 10.719 1.00 1.50 H new ATOM 0 HD3 ARG A 46 -5.203 1.876 10.187 1.00 1.50 H new ATOM 0 HE ARG A 46 -7.633 0.818 11.544 1.00 1.68 H new ATOM 0 HH11 ARG A 46 -6.042 3.590 9.994 1.00 3.03 H new ATOM 0 HH12 ARG A 46 -7.081 4.775 10.792 1.00 3.03 H new ATOM 0 HH21 ARG A 46 -8.923 2.351 12.610 1.00 3.22 H new ATOM 0 HH22 ARG A 46 -8.713 4.073 12.275 1.00 3.22 H new ATOM 711 N TYR A 47 -7.661 -0.179 5.563 1.00 0.48 N ATOM 712 CA TYR A 47 -8.644 -0.016 4.497 1.00 0.56 C ATOM 713 C TYR A 47 -10.001 -0.581 4.918 1.00 0.47 C ATOM 714 O TYR A 47 -10.198 -0.892 6.093 1.00 0.49 O ATOM 715 CB TYR A 47 -8.122 -0.687 3.211 1.00 0.63 C ATOM 716 CG TYR A 47 -8.335 -2.192 3.110 1.00 0.58 C ATOM 717 CD1 TYR A 47 -7.957 -3.044 4.164 1.00 1.72 C ATOM 718 CD2 TYR A 47 -8.888 -2.749 1.941 1.00 1.84 C ATOM 719 CE1 TYR A 47 -8.070 -4.433 4.031 1.00 1.71 C ATOM 720 CE2 TYR A 47 -9.008 -4.141 1.812 1.00 1.92 C ATOM 721 CZ TYR A 47 -8.630 -4.984 2.872 1.00 0.79 C ATOM 722 OH TYR A 47 -8.857 -6.320 2.788 1.00 1.00 O ATOM 0 H TYR A 47 -7.840 -0.994 6.149 1.00 0.48 H new ATOM 0 HA TYR A 47 -8.789 1.046 4.298 1.00 0.56 H new ATOM 0 HB2 TYR A 47 -8.605 -0.213 2.356 1.00 0.63 H new ATOM 0 HB3 TYR A 47 -7.054 -0.485 3.127 1.00 0.63 H new ATOM 0 HD1 TYR A 47 -7.577 -2.623 5.083 1.00 1.72 H new ATOM 0 HD2 TYR A 47 -9.221 -2.103 1.142 1.00 1.84 H new ATOM 0 HE1 TYR A 47 -7.725 -5.080 4.823 1.00 1.71 H new ATOM 0 HE2 TYR A 47 -9.392 -4.566 0.896 1.00 1.92 H new ATOM 0 HH TYR A 47 -9.041 -6.677 3.682 1.00 1.00 H new ATOM 732 N ASN A 48 -10.923 -0.730 3.960 1.00 0.48 N ATOM 733 CA ASN A 48 -12.245 -1.311 4.177 1.00 0.52 C ATOM 734 C ASN A 48 -12.666 -2.174 2.983 1.00 0.51 C ATOM 735 O ASN A 48 -13.089 -1.616 1.971 1.00 0.55 O ATOM 736 CB ASN A 48 -13.258 -0.186 4.416 1.00 0.67 C ATOM 737 CG ASN A 48 -14.698 -0.700 4.452 1.00 1.24 C ATOM 738 OD1 ASN A 48 -14.966 -1.831 4.847 1.00 1.88 O ATOM 739 ND2 ASN A 48 -15.652 0.130 4.038 1.00 1.76 N ATOM 0 H ASN A 48 -10.764 -0.443 2.994 1.00 0.48 H new ATOM 0 HA ASN A 48 -12.210 -1.957 5.054 1.00 0.52 H new ATOM 0 HB2 ASN A 48 -13.029 0.312 5.358 1.00 0.67 H new ATOM 0 HB3 ASN A 48 -13.161 0.561 3.628 1.00 0.67 H new ATOM 0 HD21 ASN A 48 -16.627 -0.170 4.045 1.00 1.76 H new ATOM 0 HD22 ASN A 48 -15.408 1.066 3.714 1.00 1.76 H new ATOM 746 N PRO A 49 -12.593 -3.513 3.068 1.00 0.52 N ATOM 747 CA PRO A 49 -12.972 -4.385 1.967 1.00 0.59 C ATOM 748 C PRO A 49 -14.493 -4.406 1.793 1.00 0.66 C ATOM 749 O PRO A 49 -15.172 -5.353 2.184 1.00 0.81 O ATOM 750 CB PRO A 49 -12.374 -5.745 2.319 1.00 0.68 C ATOM 751 CG PRO A 49 -12.385 -5.759 3.845 1.00 0.66 C ATOM 752 CD PRO A 49 -12.114 -4.296 4.200 1.00 0.57 C ATOM 0 HA PRO A 49 -12.595 -4.048 1.001 1.00 0.59 H new ATOM 0 HB2 PRO A 49 -12.966 -6.562 1.906 1.00 0.68 H new ATOM 0 HB3 PRO A 49 -11.364 -5.853 1.925 1.00 0.68 H new ATOM 0 HG2 PRO A 49 -13.342 -6.100 4.239 1.00 0.66 H new ATOM 0 HG3 PRO A 49 -11.619 -6.422 4.249 1.00 0.66 H new ATOM 0 HD2 PRO A 49 -12.632 -4.014 5.117 1.00 0.57 H new ATOM 0 HD3 PRO A 49 -11.051 -4.126 4.370 1.00 0.57 H new ATOM 760 N ALA A 50 -15.016 -3.337 1.191 1.00 0.62 N ATOM 761 CA ALA A 50 -16.415 -3.172 0.834 1.00 0.78 C ATOM 762 C ALA A 50 -16.499 -2.422 -0.495 1.00 0.82 C ATOM 763 O ALA A 50 -17.089 -2.910 -1.453 1.00 1.09 O ATOM 764 CB ALA A 50 -17.140 -2.414 1.951 1.00 0.93 C ATOM 0 H ALA A 50 -14.447 -2.531 0.930 1.00 0.62 H new ATOM 0 HA ALA A 50 -16.898 -4.142 0.717 1.00 0.78 H new ATOM 0 HB1 ALA A 50 -18.190 -2.290 1.684 1.00 0.93 H new ATOM 0 HB2 ALA A 50 -17.066 -2.978 2.881 1.00 0.93 H new ATOM 0 HB3 ALA A 50 -16.681 -1.434 2.083 1.00 0.93 H new ATOM 770 N VAL A 51 -15.902 -1.226 -0.539 1.00 0.72 N ATOM 771 CA VAL A 51 -15.920 -0.349 -1.703 1.00 0.85 C ATOM 772 C VAL A 51 -14.595 -0.475 -2.456 1.00 0.77 C ATOM 773 O VAL A 51 -14.572 -0.812 -3.636 1.00 1.08 O ATOM 774 CB VAL A 51 -16.199 1.093 -1.238 1.00 0.98 C ATOM 775 CG1 VAL A 51 -16.105 2.086 -2.402 1.00 1.17 C ATOM 776 CG2 VAL A 51 -17.599 1.187 -0.614 1.00 1.31 C ATOM 0 H VAL A 51 -15.385 -0.838 0.250 1.00 0.72 H new ATOM 0 HA VAL A 51 -16.713 -0.635 -2.394 1.00 0.85 H new ATOM 0 HB VAL A 51 -15.442 1.350 -0.497 1.00 0.98 H new ATOM 0 HG11 VAL A 51 -16.307 3.093 -2.038 1.00 1.17 H new ATOM 0 HG12 VAL A 51 -15.104 2.050 -2.831 1.00 1.17 H new ATOM 0 HG13 VAL A 51 -16.837 1.822 -3.165 1.00 1.17 H new ATOM 0 HG21 VAL A 51 -17.785 2.211 -0.289 1.00 1.31 H new ATOM 0 HG22 VAL A 51 -18.347 0.900 -1.353 1.00 1.31 H new ATOM 0 HG23 VAL A 51 -17.661 0.517 0.244 1.00 1.31 H new ATOM 786 N ILE A 52 -13.488 -0.196 -1.763 1.00 0.52 N ATOM 787 CA ILE A 52 -12.163 -0.094 -2.366 1.00 0.62 C ATOM 788 C ILE A 52 -11.716 -1.410 -3.009 1.00 0.74 C ATOM 789 O ILE A 52 -11.087 -1.389 -4.059 1.00 1.22 O ATOM 790 CB ILE A 52 -11.157 0.451 -1.337 1.00 0.62 C ATOM 791 CG1 ILE A 52 -9.737 0.466 -1.918 1.00 0.89 C ATOM 792 CG2 ILE A 52 -11.219 -0.271 0.015 1.00 0.61 C ATOM 793 CD1 ILE A 52 -8.783 1.160 -0.954 1.00 1.25 C ATOM 0 H ILE A 52 -13.490 -0.033 -0.756 1.00 0.52 H new ATOM 0 HA ILE A 52 -12.210 0.620 -3.188 1.00 0.62 H new ATOM 0 HB ILE A 52 -11.449 1.480 -1.127 1.00 0.62 H new ATOM 0 HG12 ILE A 52 -9.401 -0.554 -2.103 1.00 0.89 H new ATOM 0 HG13 ILE A 52 -9.734 0.981 -2.878 1.00 0.89 H new ATOM 0 HG21 ILE A 52 -10.484 0.163 0.693 1.00 0.61 H new ATOM 0 HG22 ILE A 52 -12.216 -0.160 0.441 1.00 0.61 H new ATOM 0 HG23 ILE A 52 -11.001 -1.329 -0.127 1.00 0.61 H new ATOM 0 HD11 ILE A 52 -7.778 1.165 -1.377 1.00 1.25 H new ATOM 0 HD12 ILE A 52 -9.113 2.186 -0.791 1.00 1.25 H new ATOM 0 HD13 ILE A 52 -8.774 0.626 -0.004 1.00 1.25 H new ATOM 805 N GLN A 53 -12.050 -2.537 -2.370 1.00 0.50 N ATOM 806 CA GLN A 53 -11.820 -3.902 -2.819 1.00 0.58 C ATOM 807 C GLN A 53 -10.334 -4.308 -2.788 1.00 0.57 C ATOM 808 O GLN A 53 -9.519 -3.746 -3.515 1.00 0.65 O ATOM 809 CB GLN A 53 -12.485 -4.165 -4.183 1.00 0.68 C ATOM 810 CG GLN A 53 -14.004 -4.347 -4.044 1.00 1.05 C ATOM 811 CD GLN A 53 -14.342 -5.618 -3.270 1.00 1.52 C ATOM 812 OE1 GLN A 53 -14.827 -5.565 -2.146 1.00 3.30 O ATOM 813 NE2 GLN A 53 -14.035 -6.778 -3.846 1.00 1.45 N ATOM 0 H GLN A 53 -12.520 -2.510 -1.465 1.00 0.50 H new ATOM 0 HA GLN A 53 -12.307 -4.556 -2.096 1.00 0.58 H new ATOM 0 HB2 GLN A 53 -12.277 -3.333 -4.856 1.00 0.68 H new ATOM 0 HB3 GLN A 53 -12.051 -5.057 -4.635 1.00 0.68 H new ATOM 0 HG2 GLN A 53 -14.431 -3.484 -3.533 1.00 1.05 H new ATOM 0 HG3 GLN A 53 -14.459 -4.389 -5.033 1.00 1.05 H new ATOM 0 HE21 GLN A 53 -13.632 -6.791 -4.783 1.00 1.45 H new ATOM 0 HE22 GLN A 53 -14.202 -7.654 -3.350 1.00 1.45 H new ATOM 822 N PRO A 54 -9.951 -5.325 -1.992 1.00 0.59 N ATOM 823 CA PRO A 54 -8.584 -5.825 -1.964 1.00 0.69 C ATOM 824 C PRO A 54 -8.015 -6.223 -3.334 1.00 0.83 C ATOM 825 O PRO A 54 -6.854 -5.917 -3.594 1.00 1.03 O ATOM 826 CB PRO A 54 -8.522 -6.984 -0.973 1.00 0.79 C ATOM 827 CG PRO A 54 -9.926 -7.105 -0.390 1.00 0.92 C ATOM 828 CD PRO A 54 -10.806 -6.070 -1.084 1.00 0.70 C ATOM 0 HA PRO A 54 -7.942 -5.004 -1.645 1.00 0.69 H new ATOM 0 HB2 PRO A 54 -8.223 -7.907 -1.469 1.00 0.79 H new ATOM 0 HB3 PRO A 54 -7.788 -6.791 -0.190 1.00 0.79 H new ATOM 0 HG2 PRO A 54 -10.320 -8.109 -0.547 1.00 0.92 H new ATOM 0 HG3 PRO A 54 -9.910 -6.933 0.686 1.00 0.92 H new ATOM 0 HD2 PRO A 54 -11.616 -6.555 -1.628 1.00 0.70 H new ATOM 0 HD3 PRO A 54 -11.267 -5.404 -0.354 1.00 0.70 H new ATOM 836 N PRO A 55 -8.758 -6.884 -4.241 1.00 0.90 N ATOM 837 CA PRO A 55 -8.206 -7.161 -5.557 1.00 1.16 C ATOM 838 C PRO A 55 -7.911 -5.880 -6.354 1.00 1.26 C ATOM 839 O PRO A 55 -7.242 -5.973 -7.378 1.00 1.85 O ATOM 840 CB PRO A 55 -9.202 -8.097 -6.251 1.00 1.32 C ATOM 841 CG PRO A 55 -10.522 -7.829 -5.532 1.00 1.19 C ATOM 842 CD PRO A 55 -10.082 -7.481 -4.111 1.00 0.92 C ATOM 0 HA PRO A 55 -7.231 -7.642 -5.480 1.00 1.16 H new ATOM 0 HB2 PRO A 55 -9.277 -7.881 -7.317 1.00 1.32 H new ATOM 0 HB3 PRO A 55 -8.901 -9.140 -6.158 1.00 1.32 H new ATOM 0 HG2 PRO A 55 -11.073 -7.010 -5.995 1.00 1.19 H new ATOM 0 HG3 PRO A 55 -11.174 -8.702 -5.549 1.00 1.19 H new ATOM 0 HD2 PRO A 55 -10.780 -6.786 -3.644 1.00 0.92 H new ATOM 0 HD3 PRO A 55 -10.050 -8.371 -3.482 1.00 0.92 H new ATOM 850 N MET A 56 -8.377 -4.700 -5.907 1.00 0.84 N ATOM 851 CA MET A 56 -8.147 -3.426 -6.578 1.00 0.86 C ATOM 852 C MET A 56 -7.141 -2.547 -5.808 1.00 0.75 C ATOM 853 O MET A 56 -6.327 -1.876 -6.444 1.00 0.69 O ATOM 854 CB MET A 56 -9.502 -2.748 -6.814 1.00 1.08 C ATOM 855 CG MET A 56 -10.336 -3.540 -7.837 1.00 2.07 C ATOM 856 SD MET A 56 -12.102 -3.138 -7.925 1.00 3.22 S ATOM 857 CE MET A 56 -12.031 -1.375 -8.304 1.00 2.71 C ATOM 0 H MET A 56 -8.932 -4.613 -5.055 1.00 0.84 H new ATOM 0 HA MET A 56 -7.679 -3.593 -7.548 1.00 0.86 H new ATOM 0 HB2 MET A 56 -10.046 -2.675 -5.873 1.00 1.08 H new ATOM 0 HB3 MET A 56 -9.347 -1.731 -7.173 1.00 1.08 H new ATOM 0 HG2 MET A 56 -9.901 -3.385 -8.825 1.00 2.07 H new ATOM 0 HG3 MET A 56 -10.239 -4.601 -7.608 1.00 2.07 H new ATOM 0 HE1 MET A 56 -13.043 -0.988 -8.425 1.00 2.71 H new ATOM 0 HE2 MET A 56 -11.535 -0.847 -7.489 1.00 2.71 H new ATOM 0 HE3 MET A 56 -11.472 -1.224 -9.227 1.00 2.71 H new ATOM 867 N ILE A 57 -7.141 -2.561 -4.461 1.00 0.78 N ATOM 868 CA ILE A 57 -6.165 -1.834 -3.650 1.00 0.80 C ATOM 869 C ILE A 57 -4.730 -2.048 -4.161 1.00 0.62 C ATOM 870 O ILE A 57 -4.011 -1.082 -4.414 1.00 0.72 O ATOM 871 CB ILE A 57 -6.349 -2.163 -2.148 1.00 1.04 C ATOM 872 CG1 ILE A 57 -5.852 -0.992 -1.296 1.00 1.42 C ATOM 873 CG2 ILE A 57 -5.645 -3.436 -1.668 1.00 2.90 C ATOM 874 CD1 ILE A 57 -5.989 -1.230 0.209 1.00 1.49 C ATOM 0 H ILE A 57 -7.824 -3.081 -3.910 1.00 0.78 H new ATOM 0 HA ILE A 57 -6.350 -0.765 -3.755 1.00 0.80 H new ATOM 0 HB ILE A 57 -7.419 -2.336 -2.029 1.00 1.04 H new ATOM 0 HG12 ILE A 57 -4.805 -0.800 -1.532 1.00 1.42 H new ATOM 0 HG13 ILE A 57 -6.409 -0.095 -1.566 1.00 1.42 H new ATOM 0 HG21 ILE A 57 -5.835 -3.578 -0.604 1.00 2.90 H new ATOM 0 HG22 ILE A 57 -6.026 -4.294 -2.222 1.00 2.90 H new ATOM 0 HG23 ILE A 57 -4.572 -3.344 -1.836 1.00 2.90 H new ATOM 0 HD11 ILE A 57 -5.618 -0.360 0.750 1.00 1.49 H new ATOM 0 HD12 ILE A 57 -7.038 -1.392 0.458 1.00 1.49 H new ATOM 0 HD13 ILE A 57 -5.409 -2.108 0.493 1.00 1.49 H new ATOM 886 N ALA A 58 -4.317 -3.309 -4.355 1.00 0.51 N ATOM 887 CA ALA A 58 -3.038 -3.638 -4.954 1.00 0.54 C ATOM 888 C ALA A 58 -2.850 -2.914 -6.280 1.00 0.56 C ATOM 889 O ALA A 58 -1.841 -2.247 -6.459 1.00 0.64 O ATOM 890 CB ALA A 58 -2.906 -5.147 -5.148 1.00 0.65 C ATOM 0 H ALA A 58 -4.871 -4.125 -4.096 1.00 0.51 H new ATOM 0 HA ALA A 58 -2.255 -3.305 -4.273 1.00 0.54 H new ATOM 0 HB1 ALA A 58 -1.940 -5.373 -5.599 1.00 0.65 H new ATOM 0 HB2 ALA A 58 -2.981 -5.646 -4.182 1.00 0.65 H new ATOM 0 HB3 ALA A 58 -3.703 -5.501 -5.802 1.00 0.65 H new ATOM 896 N GLU A 59 -3.784 -3.036 -7.224 1.00 0.55 N ATOM 897 CA GLU A 59 -3.631 -2.421 -8.528 1.00 0.58 C ATOM 898 C GLU A 59 -3.369 -0.919 -8.434 1.00 0.64 C ATOM 899 O GLU A 59 -2.434 -0.424 -9.061 1.00 0.74 O ATOM 900 CB GLU A 59 -4.844 -2.735 -9.385 1.00 0.58 C ATOM 901 CG GLU A 59 -4.920 -4.242 -9.676 1.00 0.68 C ATOM 902 CD GLU A 59 -5.459 -4.521 -11.071 1.00 1.36 C ATOM 903 OE1 GLU A 59 -6.594 -4.079 -11.345 1.00 2.53 O ATOM 904 OE2 GLU A 59 -4.707 -5.165 -11.836 1.00 1.76 O ATOM 0 H GLU A 59 -4.652 -3.557 -7.103 1.00 0.55 H new ATOM 0 HA GLU A 59 -2.748 -2.845 -9.006 1.00 0.58 H new ATOM 0 HB2 GLU A 59 -5.751 -2.411 -8.875 1.00 0.58 H new ATOM 0 HB3 GLU A 59 -4.789 -2.180 -10.321 1.00 0.58 H new ATOM 0 HG2 GLU A 59 -3.928 -4.682 -9.575 1.00 0.68 H new ATOM 0 HG3 GLU A 59 -5.559 -4.723 -8.936 1.00 0.68 H new ATOM 911 N PHE A 60 -4.145 -0.207 -7.610 1.00 0.63 N ATOM 912 CA PHE A 60 -3.861 1.178 -7.273 1.00 0.70 C ATOM 913 C PHE A 60 -2.388 1.406 -6.925 1.00 0.77 C ATOM 914 O PHE A 60 -1.825 2.432 -7.274 1.00 0.98 O ATOM 915 CB PHE A 60 -4.749 1.596 -6.092 1.00 0.76 C ATOM 916 CG PHE A 60 -5.271 3.002 -6.238 1.00 0.80 C ATOM 917 CD1 PHE A 60 -4.391 4.095 -6.168 1.00 1.58 C ATOM 918 CD2 PHE A 60 -6.602 3.198 -6.638 1.00 2.23 C ATOM 919 CE1 PHE A 60 -4.844 5.383 -6.488 1.00 1.63 C ATOM 920 CE2 PHE A 60 -7.044 4.479 -6.991 1.00 2.24 C ATOM 921 CZ PHE A 60 -6.173 5.579 -6.902 1.00 0.92 C ATOM 0 H PHE A 60 -4.983 -0.579 -7.163 1.00 0.63 H new ATOM 0 HA PHE A 60 -4.077 1.788 -8.150 1.00 0.70 H new ATOM 0 HB2 PHE A 60 -5.589 0.906 -6.010 1.00 0.76 H new ATOM 0 HB3 PHE A 60 -4.179 1.517 -5.166 1.00 0.76 H new ATOM 0 HD1 PHE A 60 -3.365 3.943 -5.867 1.00 1.58 H new ATOM 0 HD2 PHE A 60 -7.285 2.362 -6.674 1.00 2.23 H new ATOM 0 HE1 PHE A 60 -4.171 6.225 -6.416 1.00 1.63 H new ATOM 0 HE2 PHE A 60 -8.058 4.623 -7.333 1.00 2.24 H new ATOM 0 HZ PHE A 60 -6.523 6.570 -7.151 1.00 0.92 H new ATOM 931 N ILE A 61 -1.764 0.479 -6.199 1.00 0.66 N ATOM 932 CA ILE A 61 -0.346 0.565 -5.867 1.00 0.68 C ATOM 933 C ILE A 61 0.507 0.220 -7.095 1.00 0.68 C ATOM 934 O ILE A 61 1.492 0.892 -7.406 1.00 0.75 O ATOM 935 CB ILE A 61 -0.047 -0.299 -4.626 1.00 0.69 C ATOM 936 CG1 ILE A 61 -0.870 0.230 -3.437 1.00 0.78 C ATOM 937 CG2 ILE A 61 1.448 -0.254 -4.298 1.00 0.79 C ATOM 938 CD1 ILE A 61 -0.867 -0.698 -2.222 1.00 0.72 C ATOM 0 H ILE A 61 -2.227 -0.350 -5.826 1.00 0.66 H new ATOM 0 HA ILE A 61 -0.077 1.586 -5.598 1.00 0.68 H new ATOM 0 HB ILE A 61 -0.322 -1.334 -4.827 1.00 0.69 H new ATOM 0 HG12 ILE A 61 -0.478 1.203 -3.140 1.00 0.78 H new ATOM 0 HG13 ILE A 61 -1.899 0.386 -3.760 1.00 0.78 H new ATOM 0 HG21 ILE A 61 1.646 -0.868 -3.420 1.00 0.79 H new ATOM 0 HG22 ILE A 61 2.018 -0.637 -5.145 1.00 0.79 H new ATOM 0 HG23 ILE A 61 1.745 0.775 -4.096 1.00 0.79 H new ATOM 0 HD11 ILE A 61 -1.468 -0.257 -1.426 1.00 0.72 H new ATOM 0 HD12 ILE A 61 -1.287 -1.664 -2.501 1.00 0.72 H new ATOM 0 HD13 ILE A 61 0.156 -0.835 -1.871 1.00 0.72 H new ATOM 950 N ARG A 62 0.138 -0.854 -7.797 1.00 0.61 N ATOM 951 CA ARG A 62 0.881 -1.366 -8.938 1.00 0.60 C ATOM 952 C ARG A 62 0.880 -0.393 -10.117 1.00 0.60 C ATOM 953 O ARG A 62 1.638 -0.622 -11.057 1.00 0.64 O ATOM 954 CB ARG A 62 0.331 -2.721 -9.407 1.00 0.62 C ATOM 955 CG ARG A 62 0.381 -3.820 -8.336 1.00 0.65 C ATOM 956 CD ARG A 62 -0.450 -5.037 -8.765 1.00 1.02 C ATOM 957 NE ARG A 62 0.346 -5.996 -9.545 1.00 1.10 N ATOM 958 CZ ARG A 62 -0.140 -7.128 -10.081 1.00 1.61 C ATOM 959 NH1 ARG A 62 -1.461 -7.335 -10.139 1.00 2.35 N ATOM 960 NH2 ARG A 62 0.706 -8.056 -10.546 1.00 1.89 N ATOM 0 H ARG A 62 -0.698 -1.396 -7.581 1.00 0.61 H new ATOM 0 HA ARG A 62 1.907 -1.491 -8.593 1.00 0.60 H new ATOM 0 HB2 ARG A 62 -0.702 -2.590 -9.731 1.00 0.62 H new ATOM 0 HB3 ARG A 62 0.898 -3.050 -10.277 1.00 0.62 H new ATOM 0 HG2 ARG A 62 1.415 -4.121 -8.166 1.00 0.65 H new ATOM 0 HG3 ARG A 62 0.003 -3.431 -7.391 1.00 0.65 H new ATOM 0 HD2 ARG A 62 -0.852 -5.532 -7.881 1.00 1.02 H new ATOM 0 HD3 ARG A 62 -1.302 -4.704 -9.358 1.00 1.02 H new ATOM 0 HE ARG A 62 1.334 -5.788 -9.689 1.00 1.10 H new ATOM 0 HH11 ARG A 62 -2.104 -6.632 -9.775 1.00 2.35 H new ATOM 0 HH12 ARG A 62 -1.825 -8.196 -10.547 1.00 2.35 H new ATOM 0 HH21 ARG A 62 1.713 -7.901 -10.492 1.00 1.89 H new ATOM 0 HH22 ARG A 62 0.344 -8.918 -10.954 1.00 1.89 H new ATOM 974 N GLU A 63 0.085 0.684 -10.080 1.00 0.59 N ATOM 975 CA GLU A 63 0.190 1.798 -11.020 1.00 0.63 C ATOM 976 C GLU A 63 1.663 2.209 -11.229 1.00 0.63 C ATOM 977 O GLU A 63 2.089 2.490 -12.347 1.00 0.61 O ATOM 978 CB GLU A 63 -0.749 2.936 -10.567 1.00 0.68 C ATOM 979 CG GLU A 63 -0.277 3.781 -9.370 1.00 1.88 C ATOM 980 CD GLU A 63 0.631 4.960 -9.714 1.00 3.44 C ATOM 981 OE1 GLU A 63 1.026 5.067 -10.893 1.00 3.91 O ATOM 982 OE2 GLU A 63 0.909 5.741 -8.779 1.00 4.72 O ATOM 0 H GLU A 63 -0.655 0.804 -9.388 1.00 0.59 H new ATOM 0 HA GLU A 63 -0.149 1.499 -12.012 1.00 0.63 H new ATOM 0 HB2 GLU A 63 -0.909 3.604 -11.414 1.00 0.68 H new ATOM 0 HB3 GLU A 63 -1.716 2.501 -10.317 1.00 0.68 H new ATOM 0 HG2 GLU A 63 -1.155 4.161 -8.848 1.00 1.88 H new ATOM 0 HG3 GLU A 63 0.251 3.130 -8.674 1.00 1.88 H new ATOM 989 N LEU A 64 2.468 2.103 -10.163 1.00 0.66 N ATOM 990 CA LEU A 64 3.878 2.478 -10.152 1.00 0.72 C ATOM 991 C LEU A 64 4.776 1.394 -10.762 1.00 0.71 C ATOM 992 O LEU A 64 5.930 1.659 -11.088 1.00 0.79 O ATOM 993 CB LEU A 64 4.317 2.651 -8.694 1.00 0.88 C ATOM 994 CG LEU A 64 3.479 3.665 -7.907 1.00 0.87 C ATOM 995 CD1 LEU A 64 3.628 3.411 -6.411 1.00 1.19 C ATOM 996 CD2 LEU A 64 3.886 5.103 -8.226 1.00 1.05 C ATOM 0 H LEU A 64 2.143 1.745 -9.265 1.00 0.66 H new ATOM 0 HA LEU A 64 3.980 3.391 -10.738 1.00 0.72 H new ATOM 0 HB2 LEU A 64 4.265 1.685 -8.192 1.00 0.88 H new ATOM 0 HB3 LEU A 64 5.361 2.964 -8.674 1.00 0.88 H new ATOM 0 HG LEU A 64 2.438 3.536 -8.203 1.00 0.87 H new ATOM 0 HD11 LEU A 64 3.030 4.135 -5.858 1.00 1.19 H new ATOM 0 HD12 LEU A 64 3.285 2.403 -6.177 1.00 1.19 H new ATOM 0 HD13 LEU A 64 4.675 3.513 -6.127 1.00 1.19 H new ATOM 0 HD21 LEU A 64 3.269 5.792 -7.649 1.00 1.05 H new ATOM 0 HD22 LEU A 64 4.935 5.250 -7.967 1.00 1.05 H new ATOM 0 HD23 LEU A 64 3.745 5.294 -9.290 1.00 1.05 H new ATOM 1008 N GLY A 65 4.281 0.157 -10.857 1.00 0.69 N ATOM 1009 CA GLY A 65 5.021 -0.988 -11.365 1.00 0.72 C ATOM 1010 C GLY A 65 5.843 -1.704 -10.287 1.00 0.73 C ATOM 1011 O GLY A 65 6.713 -2.505 -10.623 1.00 0.81 O ATOM 0 H GLY A 65 3.329 -0.076 -10.574 1.00 0.69 H new ATOM 0 HA2 GLY A 65 4.322 -1.696 -11.809 1.00 0.72 H new ATOM 0 HA3 GLY A 65 5.688 -0.657 -12.161 1.00 0.72 H new ATOM 1015 N PHE A 66 5.563 -1.464 -8.999 1.00 0.81 N ATOM 1016 CA PHE A 66 6.263 -2.146 -7.911 1.00 0.86 C ATOM 1017 C PHE A 66 5.640 -3.516 -7.632 1.00 0.81 C ATOM 1018 O PHE A 66 4.437 -3.722 -7.803 1.00 0.86 O ATOM 1019 CB PHE A 66 6.273 -1.289 -6.636 1.00 0.92 C ATOM 1020 CG PHE A 66 7.367 -0.237 -6.598 1.00 0.92 C ATOM 1021 CD1 PHE A 66 8.709 -0.630 -6.422 1.00 1.95 C ATOM 1022 CD2 PHE A 66 7.049 1.132 -6.688 1.00 2.00 C ATOM 1023 CE1 PHE A 66 9.726 0.338 -6.359 1.00 2.30 C ATOM 1024 CE2 PHE A 66 8.071 2.096 -6.651 1.00 2.23 C ATOM 1025 CZ PHE A 66 9.409 1.700 -6.487 1.00 1.82 C ATOM 0 H PHE A 66 4.854 -0.800 -8.688 1.00 0.81 H new ATOM 0 HA PHE A 66 7.295 -2.298 -8.226 1.00 0.86 H new ATOM 0 HB2 PHE A 66 5.307 -0.795 -6.537 1.00 0.92 H new ATOM 0 HB3 PHE A 66 6.386 -1.945 -5.773 1.00 0.92 H new ATOM 0 HD1 PHE A 66 8.956 -1.678 -6.335 1.00 1.95 H new ATOM 0 HD2 PHE A 66 6.019 1.441 -6.786 1.00 2.00 H new ATOM 0 HE1 PHE A 66 10.752 0.034 -6.212 1.00 2.30 H new ATOM 0 HE2 PHE A 66 7.827 3.144 -6.749 1.00 2.23 H new ATOM 0 HZ PHE A 66 10.193 2.442 -6.459 1.00 1.82 H new ATOM 1035 N GLY A 67 6.464 -4.450 -7.151 1.00 0.77 N ATOM 1036 CA GLY A 67 6.062 -5.827 -6.920 1.00 0.74 C ATOM 1037 C GLY A 67 5.347 -5.946 -5.579 1.00 0.71 C ATOM 1038 O GLY A 67 5.888 -6.507 -4.630 1.00 0.77 O ATOM 0 H GLY A 67 7.437 -4.263 -6.911 1.00 0.77 H new ATOM 0 HA2 GLY A 67 5.405 -6.162 -7.722 1.00 0.74 H new ATOM 0 HA3 GLY A 67 6.937 -6.477 -6.933 1.00 0.74 H new ATOM 1042 N ALA A 68 4.127 -5.407 -5.512 1.00 0.68 N ATOM 1043 CA ALA A 68 3.297 -5.458 -4.315 1.00 0.64 C ATOM 1044 C ALA A 68 2.563 -6.797 -4.238 1.00 0.65 C ATOM 1045 O ALA A 68 2.171 -7.354 -5.264 1.00 0.85 O ATOM 1046 CB ALA A 68 2.312 -4.287 -4.316 1.00 0.68 C ATOM 0 H ALA A 68 3.688 -4.921 -6.294 1.00 0.68 H new ATOM 0 HA ALA A 68 3.931 -5.372 -3.433 1.00 0.64 H new ATOM 0 HB1 ALA A 68 1.694 -4.330 -3.419 1.00 0.68 H new ATOM 0 HB2 ALA A 68 2.864 -3.347 -4.331 1.00 0.68 H new ATOM 0 HB3 ALA A 68 1.675 -4.348 -5.198 1.00 0.68 H new ATOM 1052 N THR A 69 2.377 -7.310 -3.018 1.00 0.53 N ATOM 1053 CA THR A 69 1.799 -8.612 -2.744 1.00 0.50 C ATOM 1054 C THR A 69 0.855 -8.415 -1.562 1.00 0.58 C ATOM 1055 O THR A 69 1.300 -8.408 -0.413 1.00 0.89 O ATOM 1056 CB THR A 69 2.913 -9.638 -2.457 1.00 0.51 C ATOM 1057 OG1 THR A 69 3.634 -9.324 -1.288 1.00 2.03 O ATOM 1058 CG2 THR A 69 3.930 -9.735 -3.596 1.00 1.85 C ATOM 0 H THR A 69 2.637 -6.806 -2.170 1.00 0.53 H new ATOM 0 HA THR A 69 1.246 -9.010 -3.595 1.00 0.50 H new ATOM 0 HB THR A 69 2.391 -10.588 -2.341 1.00 0.51 H new ATOM 0 HG1 THR A 69 3.019 -8.983 -0.606 1.00 2.03 H new ATOM 0 HG21 THR A 69 4.692 -10.472 -3.342 1.00 1.85 H new ATOM 0 HG22 THR A 69 3.423 -10.039 -4.512 1.00 1.85 H new ATOM 0 HG23 THR A 69 4.401 -8.764 -3.747 1.00 1.85 H new ATOM 1066 N VAL A 70 -0.423 -8.175 -1.852 1.00 0.58 N ATOM 1067 CA VAL A 70 -1.430 -7.880 -0.847 1.00 0.57 C ATOM 1068 C VAL A 70 -2.010 -9.173 -0.289 1.00 0.72 C ATOM 1069 O VAL A 70 -2.319 -10.088 -1.051 1.00 0.84 O ATOM 1070 CB VAL A 70 -2.486 -6.940 -1.443 1.00 0.57 C ATOM 1071 CG1 VAL A 70 -3.371 -7.596 -2.515 1.00 0.75 C ATOM 1072 CG2 VAL A 70 -3.413 -6.406 -0.347 1.00 0.57 C ATOM 0 H VAL A 70 -0.787 -8.181 -2.805 1.00 0.58 H new ATOM 0 HA VAL A 70 -0.984 -7.359 -0.000 1.00 0.57 H new ATOM 0 HB VAL A 70 -1.915 -6.140 -1.914 1.00 0.57 H new ATOM 0 HG11 VAL A 70 -4.092 -6.868 -2.887 1.00 0.75 H new ATOM 0 HG12 VAL A 70 -2.748 -7.943 -3.339 1.00 0.75 H new ATOM 0 HG13 VAL A 70 -3.902 -8.443 -2.080 1.00 0.75 H new ATOM 0 HG21 VAL A 70 -4.155 -5.741 -0.790 1.00 0.57 H new ATOM 0 HG22 VAL A 70 -3.918 -7.240 0.141 1.00 0.57 H new ATOM 0 HG23 VAL A 70 -2.827 -5.856 0.389 1.00 0.57 H new ATOM 1082 N ILE A 71 -2.139 -9.252 1.036 1.00 0.82 N ATOM 1083 CA ILE A 71 -2.728 -10.373 1.744 1.00 1.08 C ATOM 1084 C ILE A 71 -3.550 -9.824 2.917 1.00 1.04 C ATOM 1085 O ILE A 71 -3.480 -8.634 3.232 1.00 0.94 O ATOM 1086 CB ILE A 71 -1.649 -11.385 2.161 1.00 1.33 C ATOM 1087 CG1 ILE A 71 -0.728 -10.844 3.259 1.00 1.36 C ATOM 1088 CG2 ILE A 71 -0.809 -11.843 0.957 1.00 1.82 C ATOM 1089 CD1 ILE A 71 -0.110 -12.021 4.001 1.00 1.80 C ATOM 0 H ILE A 71 -1.824 -8.509 1.660 1.00 0.82 H new ATOM 0 HA ILE A 71 -3.404 -10.931 1.096 1.00 1.08 H new ATOM 0 HB ILE A 71 -2.185 -12.243 2.567 1.00 1.33 H new ATOM 0 HG12 ILE A 71 0.052 -10.220 2.824 1.00 1.36 H new ATOM 0 HG13 ILE A 71 -1.291 -10.216 3.949 1.00 1.36 H new ATOM 0 HG21 ILE A 71 -0.056 -12.558 1.289 1.00 1.82 H new ATOM 0 HG22 ILE A 71 -1.458 -12.316 0.219 1.00 1.82 H new ATOM 0 HG23 ILE A 71 -0.317 -10.981 0.508 1.00 1.82 H new ATOM 0 HD11 ILE A 71 0.549 -11.651 4.786 1.00 1.80 H new ATOM 0 HD12 ILE A 71 -0.900 -12.626 4.446 1.00 1.80 H new ATOM 0 HD13 ILE A 71 0.464 -12.630 3.303 1.00 1.80 H new