USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=12 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 Single : A 2 SER OG : rot 24:sc= 1.19 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -175:sc= 1.1 (180deg=0.993) USER MOD Single : A 5 CYS SG : rot 140:sc= -1.32 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.0255 K(o=-0.026,f=-0.92) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -23:sc= 0.271 USER MOD Single : A 17 CYS SG : rot 158:sc= 0.0242 USER MOD Single : A 20 ASN : amide:sc= -0.063 X(o=-0.063,f=0) USER MOD Single : A 24 ASN : amide:sc= 0.41 X(o=0.41,f=0.4) 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 30:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.095 K(o=-0.095,f=-0.8) USER MOD Single : A 53 GLN : amide:sc= -0.0141 X(o=-0.014,f=0) 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 -13.733 -1.474 9.425 1.00 1.55 N ATOM 18 CA SER A 2 -12.442 -1.278 8.779 1.00 1.02 C ATOM 19 C SER A 2 -11.531 -2.443 9.170 1.00 0.81 C ATOM 20 O SER A 2 -11.684 -2.999 10.258 1.00 1.14 O ATOM 21 CB SER A 2 -11.857 0.081 9.192 1.00 1.34 C ATOM 22 OG SER A 2 -10.585 0.304 8.617 1.00 2.84 O ATOM 0 HA SER A 2 -12.543 -1.265 7.694 1.00 1.02 H new ATOM 0 HB2 SER A 2 -12.537 0.877 8.888 1.00 1.34 H new ATOM 0 HB3 SER A 2 -11.778 0.127 10.278 1.00 1.34 H new ATOM 0 HG SER A 2 -10.494 -0.236 7.804 1.00 2.84 H new ATOM 28 N SER A 3 -10.592 -2.787 8.290 1.00 0.66 N ATOM 29 CA SER A 3 -9.601 -3.829 8.499 1.00 0.55 C ATOM 30 C SER A 3 -8.237 -3.241 8.152 1.00 0.52 C ATOM 31 O SER A 3 -8.161 -2.265 7.403 1.00 0.56 O ATOM 32 CB SER A 3 -9.926 -5.033 7.606 1.00 0.80 C ATOM 33 OG SER A 3 -11.268 -5.439 7.804 1.00 1.79 O ATOM 0 H SER A 3 -10.501 -2.330 7.383 1.00 0.66 H new ATOM 0 HA SER A 3 -9.601 -4.173 9.533 1.00 0.55 H new ATOM 0 HB2 SER A 3 -9.768 -4.772 6.560 1.00 0.80 H new ATOM 0 HB3 SER A 3 -9.251 -5.858 7.835 1.00 0.80 H new ATOM 0 HG SER A 3 -11.466 -6.207 7.228 1.00 1.79 H new ATOM 39 N LYS A 4 -7.157 -3.818 8.683 1.00 0.55 N ATOM 40 CA LYS A 4 -5.818 -3.497 8.212 1.00 0.57 C ATOM 41 C LYS A 4 -5.513 -4.352 6.986 1.00 0.58 C ATOM 42 O LYS A 4 -6.067 -5.438 6.826 1.00 0.96 O ATOM 43 CB LYS A 4 -4.784 -3.636 9.339 1.00 0.67 C ATOM 44 CG LYS A 4 -4.809 -2.335 10.162 1.00 1.50 C ATOM 45 CD LYS A 4 -4.028 -2.384 11.484 1.00 1.94 C ATOM 46 CE LYS A 4 -2.553 -1.989 11.312 1.00 2.54 C ATOM 47 NZ LYS A 4 -1.857 -1.865 12.610 1.00 2.99 N ATOM 0 H LYS A 4 -7.188 -4.506 9.435 1.00 0.55 H new ATOM 0 HA LYS A 4 -5.762 -2.452 7.908 1.00 0.57 H new ATOM 0 HB2 LYS A 4 -5.020 -4.492 9.971 1.00 0.67 H new ATOM 0 HB3 LYS A 4 -3.790 -3.808 8.927 1.00 0.67 H new ATOM 0 HG2 LYS A 4 -4.406 -1.528 9.550 1.00 1.50 H new ATOM 0 HG3 LYS A 4 -5.846 -2.081 10.380 1.00 1.50 H new ATOM 0 HD2 LYS A 4 -4.498 -1.715 12.205 1.00 1.94 H new ATOM 0 HD3 LYS A 4 -4.085 -3.390 11.899 1.00 1.94 H new ATOM 0 HE2 LYS A 4 -2.047 -2.735 10.699 1.00 2.54 H new ATOM 0 HE3 LYS A 4 -2.492 -1.042 10.776 1.00 2.54 H new ATOM 0 HZ1 LYS A 4 -0.890 -1.516 12.453 1.00 2.99 H new ATOM 0 HZ2 LYS A 4 -2.372 -1.197 13.218 1.00 2.99 H new ATOM 0 HZ3 LYS A 4 -1.818 -2.795 13.073 1.00 2.99 H new ATOM 61 N CYS A 5 -4.677 -3.811 6.102 1.00 0.55 N ATOM 62 CA CYS A 5 -4.240 -4.440 4.872 1.00 0.60 C ATOM 63 C CYS A 5 -2.722 -4.430 4.875 1.00 0.56 C ATOM 64 O CYS A 5 -2.095 -3.370 4.958 1.00 0.60 O ATOM 65 CB CYS A 5 -4.749 -3.659 3.674 1.00 0.85 C ATOM 66 SG CYS A 5 -4.323 -4.579 2.195 1.00 1.36 S ATOM 0 H CYS A 5 -4.273 -2.884 6.235 1.00 0.55 H new ATOM 0 HA CYS A 5 -4.627 -5.457 4.806 1.00 0.60 H new ATOM 0 HB2 CYS A 5 -5.828 -3.520 3.739 1.00 0.85 H new ATOM 0 HB3 CYS A 5 -4.301 -2.666 3.648 1.00 0.85 H new ATOM 0 HG CYS A 5 -5.310 -4.525 1.351 1.00 1.36 H new ATOM 72 N TYR A 6 -2.140 -5.619 4.851 1.00 0.53 N ATOM 73 CA TYR A 6 -0.713 -5.800 5.004 1.00 0.53 C ATOM 74 C TYR A 6 -0.166 -6.030 3.604 1.00 0.49 C ATOM 75 O TYR A 6 -0.602 -6.944 2.915 1.00 0.64 O ATOM 76 CB TYR A 6 -0.451 -6.973 5.962 1.00 0.65 C ATOM 77 CG TYR A 6 0.571 -6.684 7.039 1.00 0.89 C ATOM 78 CD1 TYR A 6 1.903 -6.397 6.690 1.00 2.24 C ATOM 79 CD2 TYR A 6 0.182 -6.673 8.394 1.00 2.03 C ATOM 80 CE1 TYR A 6 2.842 -6.094 7.691 1.00 2.64 C ATOM 81 CE2 TYR A 6 1.122 -6.369 9.392 1.00 2.26 C ATOM 82 CZ TYR A 6 2.449 -6.078 9.041 1.00 1.94 C ATOM 83 OH TYR A 6 3.357 -5.794 10.016 1.00 2.51 O ATOM 0 H TYR A 6 -2.654 -6.491 4.723 1.00 0.53 H new ATOM 0 HA TYR A 6 -0.214 -4.937 5.445 1.00 0.53 H new ATOM 0 HB2 TYR A 6 -1.391 -7.256 6.436 1.00 0.65 H new ATOM 0 HB3 TYR A 6 -0.116 -7.832 5.381 1.00 0.65 H new ATOM 0 HD1 TYR A 6 2.204 -6.409 5.653 1.00 2.24 H new ATOM 0 HD2 TYR A 6 -0.839 -6.898 8.665 1.00 2.03 H new ATOM 0 HE1 TYR A 6 3.865 -5.874 7.423 1.00 2.64 H new ATOM 0 HE2 TYR A 6 0.823 -6.359 10.430 1.00 2.26 H new ATOM 0 HH TYR A 6 2.917 -5.825 10.891 1.00 2.51 H new ATOM 93 N ILE A 7 0.752 -5.192 3.140 1.00 0.40 N ATOM 94 CA ILE A 7 1.361 -5.379 1.835 1.00 0.32 C ATOM 95 C ILE A 7 2.841 -5.598 2.089 1.00 0.32 C ATOM 96 O ILE A 7 3.414 -4.985 2.994 1.00 0.41 O ATOM 97 CB ILE A 7 1.059 -4.208 0.882 1.00 0.34 C ATOM 98 CG1 ILE A 7 -0.406 -3.762 1.056 1.00 0.52 C ATOM 99 CG2 ILE A 7 1.320 -4.607 -0.580 1.00 0.35 C ATOM 100 CD1 ILE A 7 -0.892 -2.757 0.013 1.00 0.98 C ATOM 0 H ILE A 7 1.090 -4.376 3.651 1.00 0.40 H new ATOM 0 HA ILE A 7 0.944 -6.243 1.317 1.00 0.32 H new ATOM 0 HB ILE A 7 1.722 -3.379 1.130 1.00 0.34 H new ATOM 0 HG12 ILE A 7 -1.047 -4.643 1.019 1.00 0.52 H new ATOM 0 HG13 ILE A 7 -0.523 -3.323 2.047 1.00 0.52 H new ATOM 0 HG21 ILE A 7 1.099 -3.762 -1.233 1.00 0.35 H new ATOM 0 HG22 ILE A 7 2.365 -4.893 -0.698 1.00 0.35 H new ATOM 0 HG23 ILE A 7 0.681 -5.449 -0.847 1.00 0.35 H new ATOM 0 HD11 ILE A 7 -1.932 -2.500 0.213 1.00 0.98 H new ATOM 0 HD12 ILE A 7 -0.280 -1.857 0.062 1.00 0.98 H new ATOM 0 HD13 ILE A 7 -0.811 -3.197 -0.981 1.00 0.98 H new ATOM 112 N GLN A 8 3.439 -6.514 1.332 1.00 0.47 N ATOM 113 CA GLN A 8 4.864 -6.760 1.381 1.00 0.67 C ATOM 114 C GLN A 8 5.449 -6.435 0.012 1.00 0.72 C ATOM 115 O GLN A 8 4.745 -6.519 -0.997 1.00 0.65 O ATOM 116 CB GLN A 8 5.160 -8.194 1.849 1.00 0.83 C ATOM 117 CG GLN A 8 4.191 -8.648 2.955 1.00 2.75 C ATOM 118 CD GLN A 8 4.568 -9.997 3.561 1.00 2.88 C ATOM 119 OE1 GLN A 8 5.583 -10.591 3.214 1.00 2.00 O ATOM 120 NE2 GLN A 8 3.752 -10.492 4.487 1.00 4.55 N ATOM 0 H GLN A 8 2.940 -7.105 0.667 1.00 0.47 H new ATOM 0 HA GLN A 8 5.343 -6.115 2.118 1.00 0.67 H new ATOM 0 HB2 GLN A 8 5.088 -8.875 1.001 1.00 0.83 H new ATOM 0 HB3 GLN A 8 6.184 -8.252 2.218 1.00 0.83 H new ATOM 0 HG2 GLN A 8 4.169 -7.895 3.743 1.00 2.75 H new ATOM 0 HG3 GLN A 8 3.183 -8.709 2.545 1.00 2.75 H new ATOM 0 HE21 GLN A 8 2.914 -9.976 4.757 1.00 4.55 H new ATOM 0 HE22 GLN A 8 3.964 -11.387 4.928 1.00 4.55 H new ATOM 129 N VAL A 9 6.709 -5.996 -0.001 1.00 0.87 N ATOM 130 CA VAL A 9 7.401 -5.457 -1.159 1.00 0.91 C ATOM 131 C VAL A 9 8.877 -5.820 -1.003 1.00 1.01 C ATOM 132 O VAL A 9 9.301 -6.210 0.081 1.00 1.44 O ATOM 133 CB VAL A 9 7.195 -3.928 -1.238 1.00 1.00 C ATOM 134 CG1 VAL A 9 5.824 -3.567 -1.821 1.00 2.11 C ATOM 135 CG2 VAL A 9 7.359 -3.249 0.132 1.00 2.52 C ATOM 0 H VAL A 9 7.295 -6.010 0.834 1.00 0.87 H new ATOM 0 HA VAL A 9 7.011 -5.874 -2.087 1.00 0.91 H new ATOM 0 HB VAL A 9 7.973 -3.556 -1.905 1.00 1.00 H new ATOM 0 HG11 VAL A 9 5.719 -2.483 -1.859 1.00 2.11 H new ATOM 0 HG12 VAL A 9 5.738 -3.976 -2.828 1.00 2.11 H new ATOM 0 HG13 VAL A 9 5.039 -3.985 -1.191 1.00 2.11 H new ATOM 0 HG21 VAL A 9 7.205 -2.175 0.027 1.00 2.52 H new ATOM 0 HG22 VAL A 9 6.625 -3.654 0.829 1.00 2.52 H new ATOM 0 HG23 VAL A 9 8.363 -3.436 0.513 1.00 2.52 H new ATOM 145 N THR A 10 9.665 -5.716 -2.074 1.00 0.92 N ATOM 146 CA THR A 10 11.073 -6.092 -2.044 1.00 1.10 C ATOM 147 C THR A 10 11.902 -5.077 -2.823 1.00 1.02 C ATOM 148 O THR A 10 12.253 -5.288 -3.979 1.00 1.23 O ATOM 149 CB THR A 10 11.240 -7.539 -2.543 1.00 1.48 C ATOM 150 OG1 THR A 10 10.453 -7.770 -3.695 1.00 1.60 O ATOM 151 CG2 THR A 10 10.817 -8.559 -1.478 1.00 2.41 C ATOM 0 H THR A 10 9.345 -5.371 -2.979 1.00 0.92 H new ATOM 0 HA THR A 10 11.448 -6.073 -1.021 1.00 1.10 H new ATOM 0 HB THR A 10 12.298 -7.665 -2.772 1.00 1.48 H new ATOM 0 HG1 THR A 10 10.576 -8.695 -3.995 1.00 1.60 H new ATOM 0 HG21 THR A 10 10.949 -9.568 -1.868 1.00 2.41 H new ATOM 0 HG22 THR A 10 11.432 -8.431 -0.587 1.00 2.41 H new ATOM 0 HG23 THR A 10 9.769 -8.404 -1.221 1.00 2.41 H new ATOM 218 N SER A 16 12.709 6.648 0.041 1.00 1.77 N ATOM 219 CA SER A 16 11.741 7.735 -0.030 1.00 1.53 C ATOM 220 C SER A 16 10.633 7.461 -1.051 1.00 1.44 C ATOM 221 O SER A 16 9.861 8.360 -1.372 1.00 2.15 O ATOM 222 CB SER A 16 12.481 9.041 -0.338 1.00 1.85 C ATOM 223 OG SER A 16 13.392 8.869 -1.411 1.00 1.86 O ATOM 0 HA SER A 16 11.242 7.821 0.935 1.00 1.53 H new ATOM 0 HB2 SER A 16 11.761 9.820 -0.589 1.00 1.85 H new ATOM 0 HB3 SER A 16 13.018 9.377 0.549 1.00 1.85 H new ATOM 0 HG SER A 16 13.628 7.921 -1.491 1.00 1.86 H new ATOM 229 N CYS A 17 10.530 6.231 -1.563 1.00 1.11 N ATOM 230 CA CYS A 17 9.478 5.885 -2.509 1.00 1.01 C ATOM 231 C CYS A 17 8.124 5.858 -1.805 1.00 0.87 C ATOM 232 O CYS A 17 7.146 6.428 -2.282 1.00 0.93 O ATOM 233 CB CYS A 17 9.793 4.527 -3.131 1.00 1.00 C ATOM 234 SG CYS A 17 8.395 4.023 -4.163 1.00 2.24 S ATOM 0 H CYS A 17 11.163 5.464 -1.336 1.00 1.11 H new ATOM 0 HA CYS A 17 9.431 6.636 -3.298 1.00 1.01 H new ATOM 0 HB2 CYS A 17 10.702 4.587 -3.729 1.00 1.00 H new ATOM 0 HB3 CYS A 17 9.973 3.787 -2.351 1.00 1.00 H new ATOM 0 HG CYS A 17 8.798 3.160 -5.048 1.00 2.24 H new ATOM 240 N VAL A 18 8.088 5.197 -0.645 1.00 0.76 N ATOM 241 CA VAL A 18 6.863 4.904 0.082 1.00 0.64 C ATOM 242 C VAL A 18 6.074 6.193 0.314 1.00 0.63 C ATOM 243 O VAL A 18 4.889 6.247 0.002 1.00 0.56 O ATOM 244 CB VAL A 18 7.166 4.122 1.373 1.00 0.67 C ATOM 245 CG1 VAL A 18 5.891 3.450 1.882 1.00 2.24 C ATOM 246 CG2 VAL A 18 8.183 3.003 1.116 1.00 1.87 C ATOM 0 H VAL A 18 8.927 4.847 -0.182 1.00 0.76 H new ATOM 0 HA VAL A 18 6.226 4.251 -0.515 1.00 0.64 H new ATOM 0 HB VAL A 18 7.562 4.834 2.097 1.00 0.67 H new ATOM 0 HG11 VAL A 18 6.111 2.898 2.796 1.00 2.24 H new ATOM 0 HG12 VAL A 18 5.137 4.210 2.089 1.00 2.24 H new ATOM 0 HG13 VAL A 18 5.515 2.763 1.124 1.00 2.24 H new ATOM 0 HG21 VAL A 18 8.378 2.468 2.045 1.00 1.87 H new ATOM 0 HG22 VAL A 18 7.783 2.311 0.375 1.00 1.87 H new ATOM 0 HG23 VAL A 18 9.112 3.434 0.744 1.00 1.87 H new ATOM 256 N ALA A 19 6.763 7.257 0.734 1.00 0.76 N ATOM 257 CA ALA A 19 6.223 8.603 0.891 1.00 0.74 C ATOM 258 C ALA A 19 5.268 9.005 -0.240 1.00 0.66 C ATOM 259 O ALA A 19 4.201 9.567 0.014 1.00 0.62 O ATOM 260 CB ALA A 19 7.388 9.590 0.992 1.00 0.87 C ATOM 0 H ALA A 19 7.750 7.198 0.983 1.00 0.76 H new ATOM 0 HA ALA A 19 5.627 8.621 1.803 1.00 0.74 H new ATOM 0 HB1 ALA A 19 6.999 10.601 1.110 1.00 0.87 H new ATOM 0 HB2 ALA A 19 8.006 9.336 1.853 1.00 0.87 H new ATOM 0 HB3 ALA A 19 7.990 9.536 0.085 1.00 0.87 H new ATOM 266 N ASN A 20 5.641 8.728 -1.495 1.00 0.70 N ATOM 267 CA ASN A 20 4.786 9.038 -2.634 1.00 0.71 C ATOM 268 C ASN A 20 3.473 8.271 -2.518 1.00 0.63 C ATOM 269 O ASN A 20 2.400 8.869 -2.518 1.00 0.69 O ATOM 270 CB ASN A 20 5.490 8.701 -3.953 1.00 0.80 C ATOM 271 CG ASN A 20 4.533 8.873 -5.130 1.00 0.81 C ATOM 272 OD1 ASN A 20 4.349 9.979 -5.626 1.00 1.18 O ATOM 273 ND2 ASN A 20 3.902 7.789 -5.576 1.00 1.12 N ATOM 0 H ASN A 20 6.529 8.290 -1.742 1.00 0.70 H new ATOM 0 HA ASN A 20 4.575 10.107 -2.630 1.00 0.71 H new ATOM 0 HB2 ASN A 20 6.357 9.348 -4.085 1.00 0.80 H new ATOM 0 HB3 ASN A 20 5.859 7.676 -3.923 1.00 0.80 H new ATOM 0 HD21 ASN A 20 3.244 7.865 -6.352 1.00 1.12 H new ATOM 0 HD22 ASN A 20 4.077 6.883 -5.142 1.00 1.12 H new ATOM 280 N ILE A 21 3.569 6.944 -2.412 1.00 0.55 N ATOM 281 CA ILE A 21 2.415 6.070 -2.273 1.00 0.55 C ATOM 282 C ILE A 21 1.560 6.556 -1.095 1.00 0.56 C ATOM 283 O ILE A 21 0.374 6.802 -1.287 1.00 0.77 O ATOM 284 CB ILE A 21 2.902 4.612 -2.111 1.00 0.59 C ATOM 285 CG1 ILE A 21 3.458 4.014 -3.421 1.00 0.64 C ATOM 286 CG2 ILE A 21 1.833 3.670 -1.554 1.00 0.68 C ATOM 287 CD1 ILE A 21 4.736 3.220 -3.136 1.00 1.69 C ATOM 0 H ILE A 21 4.460 6.447 -2.421 1.00 0.55 H new ATOM 0 HA ILE A 21 1.784 6.099 -3.162 1.00 0.55 H new ATOM 0 HB ILE A 21 3.710 4.686 -1.383 1.00 0.59 H new ATOM 0 HG12 ILE A 21 2.712 3.365 -3.879 1.00 0.64 H new ATOM 0 HG13 ILE A 21 3.667 4.812 -4.134 1.00 0.64 H new ATOM 0 HG21 ILE A 21 2.244 2.664 -1.467 1.00 0.68 H new ATOM 0 HG22 ILE A 21 1.517 4.019 -0.571 1.00 0.68 H new ATOM 0 HG23 ILE A 21 0.976 3.654 -2.227 1.00 0.68 H new ATOM 0 HD11 ILE A 21 5.120 2.802 -4.067 1.00 1.69 H new ATOM 0 HD12 ILE A 21 5.485 3.880 -2.698 1.00 1.69 H new ATOM 0 HD13 ILE A 21 4.514 2.411 -2.440 1.00 1.69 H new ATOM 299 N GLU A 22 2.138 6.751 0.093 1.00 0.47 N ATOM 300 CA GLU A 22 1.444 7.263 1.273 1.00 0.51 C ATOM 301 C GLU A 22 0.584 8.479 0.918 1.00 0.59 C ATOM 302 O GLU A 22 -0.634 8.479 1.107 1.00 0.78 O ATOM 303 CB GLU A 22 2.474 7.669 2.336 1.00 0.53 C ATOM 304 CG GLU A 22 3.297 6.493 2.866 1.00 0.53 C ATOM 305 CD GLU A 22 4.535 6.976 3.618 1.00 0.79 C ATOM 306 OE1 GLU A 22 4.428 8.052 4.247 1.00 1.61 O ATOM 307 OE2 GLU A 22 5.581 6.300 3.505 1.00 2.14 O ATOM 0 H GLU A 22 3.124 6.552 0.263 1.00 0.47 H new ATOM 0 HA GLU A 22 0.795 6.476 1.658 1.00 0.51 H new ATOM 0 HB2 GLU A 22 3.148 8.413 1.912 1.00 0.53 H new ATOM 0 HB3 GLU A 22 1.957 8.145 3.169 1.00 0.53 H new ATOM 0 HG2 GLU A 22 2.681 5.885 3.528 1.00 0.53 H new ATOM 0 HG3 GLU A 22 3.599 5.855 2.036 1.00 0.53 H new ATOM 314 N ARG A 23 1.246 9.505 0.380 1.00 0.63 N ATOM 315 CA ARG A 23 0.654 10.754 -0.074 1.00 0.89 C ATOM 316 C ARG A 23 -0.404 10.545 -1.160 1.00 1.07 C ATOM 317 O ARG A 23 -1.252 11.416 -1.329 1.00 1.55 O ATOM 318 CB ARG A 23 1.758 11.698 -0.577 1.00 1.13 C ATOM 319 CG ARG A 23 2.627 12.252 0.561 1.00 2.11 C ATOM 320 CD ARG A 23 1.899 13.355 1.349 1.00 2.51 C ATOM 321 NE ARG A 23 2.537 14.673 1.179 1.00 3.01 N ATOM 322 CZ ARG A 23 3.622 15.101 1.847 1.00 4.26 C ATOM 323 NH1 ARG A 23 4.272 14.262 2.661 1.00 5.53 N ATOM 324 NH2 ARG A 23 4.046 16.361 1.700 1.00 4.87 N ATOM 0 H ARG A 23 2.257 9.481 0.245 1.00 0.63 H new ATOM 0 HA ARG A 23 0.144 11.202 0.779 1.00 0.89 H new ATOM 0 HB2 ARG A 23 2.391 11.165 -1.286 1.00 1.13 H new ATOM 0 HB3 ARG A 23 1.303 12.528 -1.118 1.00 1.13 H new ATOM 0 HG2 ARG A 23 2.900 11.442 1.237 1.00 2.11 H new ATOM 0 HG3 ARG A 23 3.554 12.651 0.150 1.00 2.11 H new ATOM 0 HD2 ARG A 23 0.861 13.410 1.020 1.00 2.51 H new ATOM 0 HD3 ARG A 23 1.884 13.094 2.407 1.00 2.51 H new ATOM 0 HE ARG A 23 2.122 15.311 0.500 1.00 3.01 H new ATOM 0 HH11 ARG A 23 3.944 13.303 2.772 1.00 5.53 H new ATOM 0 HH12 ARG A 23 5.096 14.581 3.170 1.00 5.53 H new ATOM 0 HH21 ARG A 23 3.546 16.998 1.080 1.00 4.87 H new ATOM 0 HH22 ARG A 23 4.870 16.684 2.208 1.00 4.87 H new ATOM 338 N ASN A 24 -0.368 9.430 -1.893 1.00 0.80 N ATOM 339 CA ASN A 24 -1.338 9.096 -2.919 1.00 0.97 C ATOM 340 C ASN A 24 -2.497 8.304 -2.305 1.00 0.94 C ATOM 341 O ASN A 24 -3.623 8.399 -2.780 1.00 1.07 O ATOM 342 CB ASN A 24 -0.588 8.346 -4.040 1.00 1.10 C ATOM 343 CG ASN A 24 -1.243 7.039 -4.433 1.00 1.50 C ATOM 344 OD1 ASN A 24 -1.962 6.949 -5.419 1.00 2.53 O ATOM 345 ND2 ASN A 24 -0.975 6.018 -3.634 1.00 2.32 N ATOM 0 H ASN A 24 0.357 8.722 -1.781 1.00 0.80 H new ATOM 0 HA ASN A 24 -1.795 9.983 -3.357 1.00 0.97 H new ATOM 0 HB2 ASN A 24 -0.524 8.990 -4.917 1.00 1.10 H new ATOM 0 HB3 ASN A 24 0.433 8.148 -3.714 1.00 1.10 H new ATOM 0 HD21 ASN A 24 -1.375 5.100 -3.828 1.00 2.32 H new ATOM 0 HD22 ASN A 24 -0.368 6.149 -2.825 1.00 2.32 H new ATOM 352 N LEU A 25 -2.229 7.545 -1.239 1.00 0.99 N ATOM 353 CA LEU A 25 -3.217 6.720 -0.578 1.00 1.00 C ATOM 354 C LEU A 25 -4.032 7.616 0.337 1.00 1.15 C ATOM 355 O LEU A 25 -5.103 8.067 -0.034 1.00 2.17 O ATOM 356 CB LEU A 25 -2.541 5.539 0.134 1.00 1.05 C ATOM 357 CG LEU A 25 -1.997 4.471 -0.838 1.00 1.38 C ATOM 358 CD1 LEU A 25 -1.518 3.261 -0.037 1.00 2.27 C ATOM 359 CD2 LEU A 25 -2.935 3.995 -1.960 1.00 2.38 C ATOM 0 H LEU A 25 -1.304 7.493 -0.813 1.00 0.99 H new ATOM 0 HA LEU A 25 -3.903 6.262 -1.291 1.00 1.00 H new ATOM 0 HB2 LEU A 25 -1.721 5.914 0.747 1.00 1.05 H new ATOM 0 HB3 LEU A 25 -3.257 5.073 0.811 1.00 1.05 H new ATOM 0 HG LEU A 25 -1.190 4.980 -1.366 1.00 1.38 H new ATOM 0 HD11 LEU A 25 -1.132 2.503 -0.719 1.00 2.27 H new ATOM 0 HD12 LEU A 25 -0.728 3.568 0.649 1.00 2.27 H new ATOM 0 HD13 LEU A 25 -2.351 2.848 0.531 1.00 2.27 H new ATOM 0 HD21 LEU A 25 -2.426 3.246 -2.567 1.00 2.38 H new ATOM 0 HD22 LEU A 25 -3.833 3.558 -1.523 1.00 2.38 H new ATOM 0 HD23 LEU A 25 -3.212 4.843 -2.587 1.00 2.38 H new ATOM 371 N ARG A 26 -3.498 7.934 1.508 1.00 0.64 N ATOM 372 CA ARG A 26 -4.098 8.734 2.569 1.00 0.70 C ATOM 373 C ARG A 26 -5.483 8.229 2.987 1.00 1.33 C ATOM 374 O ARG A 26 -5.606 7.591 4.029 1.00 1.96 O ATOM 375 CB ARG A 26 -4.030 10.244 2.297 1.00 1.23 C ATOM 376 CG ARG A 26 -3.586 10.638 0.886 1.00 2.52 C ATOM 377 CD ARG A 26 -3.398 12.157 0.802 1.00 3.13 C ATOM 378 NE ARG A 26 -2.313 12.594 1.695 1.00 3.77 N ATOM 379 CZ ARG A 26 -2.028 13.869 1.992 1.00 4.77 C ATOM 380 NH1 ARG A 26 -2.609 14.854 1.301 1.00 5.23 N ATOM 381 NH2 ARG A 26 -1.169 14.147 2.980 1.00 5.90 N ATOM 0 H ARG A 26 -2.563 7.615 1.761 1.00 0.64 H new ATOM 0 HA ARG A 26 -3.473 8.588 3.450 1.00 0.70 H new ATOM 0 HB2 ARG A 26 -5.014 10.674 2.483 1.00 1.23 H new ATOM 0 HB3 ARG A 26 -3.344 10.695 3.014 1.00 1.23 H new ATOM 0 HG2 ARG A 26 -2.653 10.133 0.635 1.00 2.52 H new ATOM 0 HG3 ARG A 26 -4.330 10.314 0.158 1.00 2.52 H new ATOM 0 HD2 ARG A 26 -3.170 12.445 -0.224 1.00 3.13 H new ATOM 0 HD3 ARG A 26 -4.326 12.660 1.075 1.00 3.13 H new ATOM 0 HE ARG A 26 -1.733 11.871 2.121 1.00 3.77 H new ATOM 0 HH11 ARG A 26 -3.265 14.633 0.552 1.00 5.23 H new ATOM 0 HH12 ARG A 26 -2.396 15.827 1.522 1.00 5.23 H new ATOM 0 HH21 ARG A 26 -0.733 13.389 3.505 1.00 5.90 H new ATOM 0 HH22 ARG A 26 -0.950 15.117 3.208 1.00 5.90 H new ATOM 395 N ARG A 27 -6.510 8.533 2.188 1.00 1.90 N ATOM 396 CA ARG A 27 -7.865 7.982 2.313 1.00 2.83 C ATOM 397 C ARG A 27 -8.436 7.376 1.016 1.00 2.10 C ATOM 398 O ARG A 27 -9.459 6.688 1.070 1.00 2.79 O ATOM 399 CB ARG A 27 -8.816 9.016 2.928 1.00 4.43 C ATOM 400 CG ARG A 27 -8.339 9.394 4.337 1.00 5.59 C ATOM 401 CD ARG A 27 -9.491 9.878 5.227 1.00 6.97 C ATOM 402 NE ARG A 27 -9.967 11.211 4.827 1.00 7.01 N ATOM 403 CZ ARG A 27 -11.066 11.813 5.312 1.00 7.95 C ATOM 404 NH1 ARG A 27 -11.893 11.144 6.122 1.00 8.84 N ATOM 405 NH2 ARG A 27 -11.329 13.086 4.991 1.00 8.26 N ATOM 0 H ARG A 27 -6.420 9.189 1.412 1.00 1.90 H new ATOM 0 HA ARG A 27 -7.778 7.134 2.992 1.00 2.83 H new ATOM 0 HB2 ARG A 27 -8.857 9.905 2.298 1.00 4.43 H new ATOM 0 HB3 ARG A 27 -9.827 8.611 2.974 1.00 4.43 H new ATOM 0 HG2 ARG A 27 -7.861 8.531 4.801 1.00 5.59 H new ATOM 0 HG3 ARG A 27 -7.584 10.176 4.266 1.00 5.59 H new ATOM 0 HD2 ARG A 27 -10.315 9.167 5.174 1.00 6.97 H new ATOM 0 HD3 ARG A 27 -9.161 9.906 6.265 1.00 6.97 H new ATOM 0 HE ARG A 27 -9.422 11.717 4.129 1.00 7.01 H new ATOM 0 HH11 ARG A 27 -11.690 10.176 6.372 1.00 8.84 H new ATOM 0 HH12 ARG A 27 -12.727 11.601 6.490 1.00 8.84 H new ATOM 0 HH21 ARG A 27 -10.695 13.599 4.378 1.00 8.26 H new ATOM 0 HH22 ARG A 27 -12.163 13.543 5.359 1.00 8.26 H new ATOM 419 N GLU A 28 -7.759 7.563 -0.122 1.00 1.12 N ATOM 420 CA GLU A 28 -8.055 6.935 -1.403 1.00 0.75 C ATOM 421 C GLU A 28 -9.565 6.958 -1.691 1.00 1.04 C ATOM 422 O GLU A 28 -10.208 7.977 -1.433 1.00 2.23 O ATOM 423 CB GLU A 28 -7.399 5.546 -1.355 1.00 0.88 C ATOM 424 CG GLU A 28 -6.887 5.001 -2.697 1.00 1.18 C ATOM 425 CD GLU A 28 -7.549 3.680 -3.053 1.00 1.75 C ATOM 426 OE1 GLU A 28 -8.793 3.641 -2.943 1.00 2.60 O ATOM 427 OE2 GLU A 28 -6.805 2.728 -3.369 1.00 2.40 O ATOM 0 H GLU A 28 -6.953 8.186 -0.171 1.00 1.12 H new ATOM 0 HA GLU A 28 -7.640 7.474 -2.255 1.00 0.75 H new ATOM 0 HB2 GLU A 28 -6.563 5.584 -0.657 1.00 0.88 H new ATOM 0 HB3 GLU A 28 -8.121 4.838 -0.949 1.00 0.88 H new ATOM 0 HG2 GLU A 28 -7.081 5.730 -3.484 1.00 1.18 H new ATOM 0 HG3 GLU A 28 -5.807 4.866 -2.647 1.00 1.18 H new ATOM 434 N GLU A 29 -10.143 5.843 -2.144 1.00 1.02 N ATOM 435 CA GLU A 29 -11.582 5.627 -2.180 1.00 1.36 C ATOM 436 C GLU A 29 -11.967 4.583 -1.130 1.00 1.02 C ATOM 437 O GLU A 29 -12.725 3.656 -1.414 1.00 1.24 O ATOM 438 CB GLU A 29 -12.015 5.219 -3.597 1.00 2.08 C ATOM 439 CG GLU A 29 -11.777 6.348 -4.608 1.00 2.80 C ATOM 440 CD GLU A 29 -12.421 6.033 -5.953 1.00 3.77 C ATOM 441 OE1 GLU A 29 -13.672 6.044 -5.991 1.00 3.75 O ATOM 442 OE2 GLU A 29 -11.660 5.792 -6.913 1.00 5.22 O ATOM 0 H GLU A 29 -9.608 5.052 -2.502 1.00 1.02 H new ATOM 0 HA GLU A 29 -12.108 6.550 -1.936 1.00 1.36 H new ATOM 0 HB2 GLU A 29 -11.463 4.331 -3.905 1.00 2.08 H new ATOM 0 HB3 GLU A 29 -13.072 4.951 -3.592 1.00 2.08 H new ATOM 0 HG2 GLU A 29 -12.184 7.281 -4.217 1.00 2.80 H new ATOM 0 HG3 GLU A 29 -10.706 6.499 -4.742 1.00 2.80 H new ATOM 449 N GLY A 30 -11.480 4.758 0.106 1.00 0.86 N ATOM 450 CA GLY A 30 -11.822 3.889 1.233 1.00 0.67 C ATOM 451 C GLY A 30 -10.620 3.410 2.045 1.00 0.59 C ATOM 452 O GLY A 30 -10.758 2.465 2.823 1.00 0.79 O ATOM 0 H GLY A 30 -10.836 5.510 0.350 1.00 0.86 H new ATOM 0 HA2 GLY A 30 -12.503 4.424 1.895 1.00 0.67 H new ATOM 0 HA3 GLY A 30 -12.361 3.020 0.856 1.00 0.67 H new ATOM 456 N ILE A 31 -9.454 4.050 1.905 1.00 0.45 N ATOM 457 CA ILE A 31 -8.361 3.858 2.843 1.00 0.40 C ATOM 458 C ILE A 31 -8.687 4.597 4.142 1.00 0.55 C ATOM 459 O ILE A 31 -9.402 5.597 4.157 1.00 0.80 O ATOM 460 CB ILE A 31 -7.015 4.267 2.208 1.00 0.41 C ATOM 461 CG1 ILE A 31 -6.635 3.158 1.220 1.00 0.57 C ATOM 462 CG2 ILE A 31 -5.880 4.495 3.215 1.00 0.66 C ATOM 463 CD1 ILE A 31 -5.228 3.267 0.661 1.00 1.59 C ATOM 0 H ILE A 31 -9.250 4.704 1.149 1.00 0.45 H new ATOM 0 HA ILE A 31 -8.249 2.803 3.092 1.00 0.40 H new ATOM 0 HB ILE A 31 -7.148 5.233 1.721 1.00 0.41 H new ATOM 0 HG12 ILE A 31 -6.741 2.194 1.717 1.00 0.57 H new ATOM 0 HG13 ILE A 31 -7.343 3.169 0.392 1.00 0.57 H new ATOM 0 HG21 ILE A 31 -4.972 4.779 2.682 1.00 0.66 H new ATOM 0 HG22 ILE A 31 -6.160 5.291 3.905 1.00 0.66 H new ATOM 0 HG23 ILE A 31 -5.700 3.577 3.775 1.00 0.66 H new ATOM 0 HD11 ILE A 31 -5.045 2.442 -0.028 1.00 1.59 H new ATOM 0 HD12 ILE A 31 -5.119 4.213 0.131 1.00 1.59 H new ATOM 0 HD13 ILE A 31 -4.508 3.223 1.478 1.00 1.59 H new ATOM 475 N TYR A 32 -8.150 4.066 5.238 1.00 0.48 N ATOM 476 CA TYR A 32 -8.228 4.614 6.578 1.00 0.63 C ATOM 477 C TYR A 32 -6.862 5.137 7.026 1.00 0.57 C ATOM 478 O TYR A 32 -6.801 6.107 7.777 1.00 0.76 O ATOM 479 CB TYR A 32 -8.725 3.521 7.532 1.00 0.76 C ATOM 480 CG TYR A 32 -10.116 3.754 8.079 1.00 0.86 C ATOM 481 CD1 TYR A 32 -11.236 3.626 7.237 1.00 1.77 C ATOM 482 CD2 TYR A 32 -10.290 4.101 9.432 1.00 2.47 C ATOM 483 CE1 TYR A 32 -12.527 3.822 7.756 1.00 1.71 C ATOM 484 CE2 TYR A 32 -11.581 4.287 9.951 1.00 2.94 C ATOM 485 CZ TYR A 32 -12.700 4.150 9.111 1.00 1.75 C ATOM 486 OH TYR A 32 -13.955 4.312 9.613 1.00 2.25 O ATOM 0 H TYR A 32 -7.621 3.194 5.207 1.00 0.48 H new ATOM 0 HA TYR A 32 -8.925 5.452 6.588 1.00 0.63 H new ATOM 0 HB2 TYR A 32 -8.709 2.565 7.009 1.00 0.76 H new ATOM 0 HB3 TYR A 32 -8.028 3.440 8.367 1.00 0.76 H new ATOM 0 HD1 TYR A 32 -11.104 3.378 6.194 1.00 1.77 H new ATOM 0 HD2 TYR A 32 -9.429 4.224 10.072 1.00 2.47 H new ATOM 0 HE1 TYR A 32 -13.388 3.720 7.112 1.00 1.71 H new ATOM 0 HE2 TYR A 32 -11.714 4.535 10.994 1.00 2.94 H new ATOM 0 HH TYR A 32 -13.900 4.535 10.566 1.00 2.25 H new ATOM 496 N SER A 33 -5.768 4.471 6.635 1.00 0.44 N ATOM 497 CA SER A 33 -4.428 4.883 7.025 1.00 0.50 C ATOM 498 C SER A 33 -3.401 4.363 6.024 1.00 0.45 C ATOM 499 O SER A 33 -3.650 3.373 5.334 1.00 0.41 O ATOM 500 CB SER A 33 -4.108 4.398 8.444 1.00 0.61 C ATOM 501 OG SER A 33 -3.063 5.176 8.991 1.00 1.02 O ATOM 0 H SER A 33 -5.793 3.640 6.045 1.00 0.44 H new ATOM 0 HA SER A 33 -4.383 5.972 7.024 1.00 0.50 H new ATOM 0 HB2 SER A 33 -4.996 4.471 9.072 1.00 0.61 H new ATOM 0 HB3 SER A 33 -3.819 3.347 8.423 1.00 0.61 H new ATOM 0 HG SER A 33 -2.863 4.864 9.898 1.00 1.02 H new ATOM 507 N ILE A 34 -2.267 5.059 5.960 1.00 0.61 N ATOM 508 CA ILE A 34 -1.197 4.876 4.991 1.00 0.74 C ATOM 509 C ILE A 34 -0.167 3.846 5.451 1.00 0.67 C ATOM 510 O ILE A 34 0.084 3.680 6.641 1.00 0.72 O ATOM 511 CB ILE A 34 -0.528 6.233 4.705 1.00 1.02 C ATOM 512 CG1 ILE A 34 0.159 6.849 5.947 1.00 2.31 C ATOM 513 CG2 ILE A 34 -1.587 7.209 4.214 1.00 1.20 C ATOM 514 CD1 ILE A 34 1.664 6.604 5.999 1.00 3.12 C ATOM 0 H ILE A 34 -2.063 5.807 6.622 1.00 0.61 H new ATOM 0 HA ILE A 34 -1.636 4.485 4.073 1.00 0.74 H new ATOM 0 HB ILE A 34 0.244 6.055 3.956 1.00 1.02 H new ATOM 0 HG12 ILE A 34 -0.026 7.923 5.958 1.00 2.31 H new ATOM 0 HG13 ILE A 34 -0.299 6.437 6.846 1.00 2.31 H new ATOM 0 HG21 ILE A 34 -1.125 8.174 4.008 1.00 1.20 H new ATOM 0 HG22 ILE A 34 -2.043 6.823 3.302 1.00 1.20 H new ATOM 0 HG23 ILE A 34 -2.353 7.330 4.980 1.00 1.20 H new ATOM 0 HD11 ILE A 34 2.077 7.065 6.897 1.00 3.12 H new ATOM 0 HD12 ILE A 34 1.858 5.532 6.020 1.00 3.12 H new ATOM 0 HD13 ILE A 34 2.134 7.041 5.118 1.00 3.12 H new ATOM 526 N LEU A 35 0.450 3.185 4.474 1.00 0.66 N ATOM 527 CA LEU A 35 1.456 2.160 4.655 1.00 0.63 C ATOM 528 C LEU A 35 2.855 2.731 4.867 1.00 0.57 C ATOM 529 O LEU A 35 3.291 3.588 4.109 1.00 0.78 O ATOM 530 CB LEU A 35 1.428 1.216 3.446 1.00 0.75 C ATOM 531 CG LEU A 35 1.624 1.833 2.043 1.00 0.95 C ATOM 532 CD1 LEU A 35 3.073 1.764 1.550 1.00 1.23 C ATOM 533 CD2 LEU A 35 0.754 1.081 1.031 1.00 2.05 C ATOM 0 H LEU A 35 0.247 3.364 3.491 1.00 0.66 H new ATOM 0 HA LEU A 35 1.216 1.611 5.566 1.00 0.63 H new ATOM 0 HB2 LEU A 35 2.203 0.463 3.591 1.00 0.75 H new ATOM 0 HB3 LEU A 35 0.471 0.694 3.451 1.00 0.75 H new ATOM 0 HG LEU A 35 1.342 2.883 2.127 1.00 0.95 H new ATOM 0 HD11 LEU A 35 3.142 2.214 0.560 1.00 1.23 H new ATOM 0 HD12 LEU A 35 3.719 2.306 2.241 1.00 1.23 H new ATOM 0 HD13 LEU A 35 3.391 0.723 1.498 1.00 1.23 H new ATOM 0 HD21 LEU A 35 0.891 1.515 0.040 1.00 2.05 H new ATOM 0 HD22 LEU A 35 1.045 0.031 1.011 1.00 2.05 H new ATOM 0 HD23 LEU A 35 -0.294 1.162 1.321 1.00 2.05 H new ATOM 545 N VAL A 36 3.573 2.220 5.872 1.00 0.42 N ATOM 546 CA VAL A 36 4.932 2.631 6.180 1.00 0.42 C ATOM 547 C VAL A 36 5.662 1.509 6.929 1.00 0.44 C ATOM 548 O VAL A 36 5.532 1.374 8.139 1.00 0.51 O ATOM 549 CB VAL A 36 4.919 3.968 6.949 1.00 0.49 C ATOM 550 CG1 VAL A 36 3.917 3.988 8.117 1.00 0.55 C ATOM 551 CG2 VAL A 36 6.327 4.330 7.437 1.00 0.59 C ATOM 0 H VAL A 36 3.215 1.500 6.499 1.00 0.42 H new ATOM 0 HA VAL A 36 5.488 2.806 5.259 1.00 0.42 H new ATOM 0 HB VAL A 36 4.582 4.724 6.240 1.00 0.49 H new ATOM 0 HG11 VAL A 36 3.958 4.956 8.615 1.00 0.55 H new ATOM 0 HG12 VAL A 36 2.910 3.819 7.735 1.00 0.55 H new ATOM 0 HG13 VAL A 36 4.172 3.203 8.829 1.00 0.55 H new ATOM 0 HG21 VAL A 36 6.293 5.277 7.976 1.00 0.59 H new ATOM 0 HG22 VAL A 36 6.695 3.547 8.100 1.00 0.59 H new ATOM 0 HG23 VAL A 36 6.996 4.424 6.581 1.00 0.59 H new ATOM 561 N ALA A 37 6.471 0.713 6.228 1.00 0.49 N ATOM 562 CA ALA A 37 7.476 -0.124 6.874 1.00 0.56 C ATOM 563 C ALA A 37 8.647 -0.366 5.919 1.00 0.67 C ATOM 564 O ALA A 37 9.139 -1.487 5.765 1.00 0.76 O ATOM 565 CB ALA A 37 6.851 -1.401 7.451 1.00 0.49 C ATOM 0 H ALA A 37 6.448 0.632 5.211 1.00 0.49 H new ATOM 0 HA ALA A 37 7.890 0.397 7.738 1.00 0.56 H new ATOM 0 HB1 ALA A 37 7.626 -2.003 7.925 1.00 0.49 H new ATOM 0 HB2 ALA A 37 6.095 -1.134 8.190 1.00 0.49 H new ATOM 0 HB3 ALA A 37 6.387 -1.974 6.648 1.00 0.49 H new ATOM 571 N LEU A 38 9.132 0.735 5.332 1.00 0.72 N ATOM 572 CA LEU A 38 10.362 0.798 4.545 1.00 0.83 C ATOM 573 C LEU A 38 11.524 0.208 5.353 1.00 0.96 C ATOM 574 O LEU A 38 12.379 -0.476 4.801 1.00 1.10 O ATOM 575 CB LEU A 38 10.635 2.265 4.159 1.00 0.82 C ATOM 576 CG LEU A 38 11.417 2.465 2.847 1.00 1.03 C ATOM 577 CD1 LEU A 38 11.503 3.968 2.550 1.00 1.16 C ATOM 578 CD2 LEU A 38 12.836 1.886 2.864 1.00 1.92 C ATOM 0 H LEU A 38 8.659 1.637 5.396 1.00 0.72 H new ATOM 0 HA LEU A 38 10.257 0.211 3.632 1.00 0.83 H new ATOM 0 HB2 LEU A 38 9.681 2.786 4.077 1.00 0.82 H new ATOM 0 HB3 LEU A 38 11.189 2.740 4.969 1.00 0.82 H new ATOM 0 HG LEU A 38 10.871 1.921 2.076 1.00 1.03 H new ATOM 0 HD11 LEU A 38 12.055 4.125 1.623 1.00 1.16 H new ATOM 0 HD12 LEU A 38 10.498 4.377 2.448 1.00 1.16 H new ATOM 0 HD13 LEU A 38 12.018 4.472 3.368 1.00 1.16 H new ATOM 0 HD21 LEU A 38 13.316 2.070 1.903 1.00 1.92 H new ATOM 0 HD22 LEU A 38 13.414 2.363 3.655 1.00 1.92 H new ATOM 0 HD23 LEU A 38 12.789 0.812 3.046 1.00 1.92 H new ATOM 590 N MET A 39 11.509 0.437 6.674 1.00 0.96 N ATOM 591 CA MET A 39 12.493 -0.060 7.632 1.00 1.11 C ATOM 592 C MET A 39 12.887 -1.528 7.417 1.00 1.07 C ATOM 593 O MET A 39 14.006 -1.910 7.747 1.00 1.15 O ATOM 594 CB MET A 39 12.029 0.242 9.067 1.00 1.14 C ATOM 595 CG MET A 39 10.726 -0.431 9.531 1.00 1.84 C ATOM 596 SD MET A 39 10.829 -2.182 9.991 1.00 3.61 S ATOM 597 CE MET A 39 9.246 -2.384 10.842 1.00 4.50 C ATOM 0 H MET A 39 10.780 0.996 7.117 1.00 0.96 H new ATOM 0 HA MET A 39 13.422 0.482 7.455 1.00 1.11 H new ATOM 0 HB2 MET A 39 12.825 -0.052 9.751 1.00 1.14 H new ATOM 0 HB3 MET A 39 11.908 1.321 9.165 1.00 1.14 H new ATOM 0 HG2 MET A 39 10.344 0.123 10.388 1.00 1.84 H new ATOM 0 HG3 MET A 39 9.990 -0.332 8.733 1.00 1.84 H new ATOM 0 HE1 MET A 39 9.149 -3.412 11.191 1.00 4.50 H new ATOM 0 HE2 MET A 39 9.202 -1.706 11.694 1.00 4.50 H new ATOM 0 HE3 MET A 39 8.432 -2.156 10.154 1.00 4.50 H new ATOM 607 N ALA A 40 11.981 -2.340 6.860 1.00 1.02 N ATOM 608 CA ALA A 40 12.283 -3.698 6.425 1.00 1.14 C ATOM 609 C ALA A 40 11.871 -3.967 4.969 1.00 1.16 C ATOM 610 O ALA A 40 12.564 -4.706 4.277 1.00 1.37 O ATOM 611 CB ALA A 40 11.636 -4.677 7.399 1.00 1.12 C ATOM 0 H ALA A 40 11.012 -2.066 6.700 1.00 1.02 H new ATOM 0 HA ALA A 40 13.364 -3.836 6.437 1.00 1.14 H new ATOM 0 HB1 ALA A 40 11.853 -5.698 7.086 1.00 1.12 H new ATOM 0 HB2 ALA A 40 12.034 -4.511 8.400 1.00 1.12 H new ATOM 0 HB3 ALA A 40 10.557 -4.522 7.408 1.00 1.12 H new ATOM 617 N GLY A 41 10.746 -3.410 4.507 1.00 1.03 N ATOM 618 CA GLY A 41 10.218 -3.603 3.159 1.00 1.08 C ATOM 619 C GLY A 41 8.788 -4.131 3.228 1.00 0.97 C ATOM 620 O GLY A 41 8.427 -5.096 2.558 1.00 1.12 O ATOM 0 H GLY A 41 10.165 -2.797 5.079 1.00 1.03 H new ATOM 0 HA2 GLY A 41 10.240 -2.660 2.613 1.00 1.08 H new ATOM 0 HA3 GLY A 41 10.847 -4.304 2.610 1.00 1.08 H new ATOM 624 N LYS A 42 7.963 -3.507 4.069 1.00 0.75 N ATOM 625 CA LYS A 42 6.564 -3.860 4.247 1.00 0.63 C ATOM 626 C LYS A 42 5.737 -2.580 4.261 1.00 0.53 C ATOM 627 O LYS A 42 6.277 -1.474 4.178 1.00 0.54 O ATOM 628 CB LYS A 42 6.390 -4.676 5.535 1.00 0.57 C ATOM 629 CG LYS A 42 6.928 -6.105 5.363 1.00 0.65 C ATOM 630 CD LYS A 42 7.151 -6.821 6.701 1.00 1.25 C ATOM 631 CE LYS A 42 8.189 -6.059 7.541 1.00 1.94 C ATOM 632 NZ LYS A 42 8.912 -6.936 8.485 1.00 2.90 N ATOM 0 H LYS A 42 8.260 -2.727 4.655 1.00 0.75 H new ATOM 0 HA LYS A 42 6.217 -4.485 3.424 1.00 0.63 H new ATOM 0 HB2 LYS A 42 6.913 -4.183 6.354 1.00 0.57 H new ATOM 0 HB3 LYS A 42 5.335 -4.712 5.807 1.00 0.57 H new ATOM 0 HG2 LYS A 42 6.227 -6.682 4.760 1.00 0.65 H new ATOM 0 HG3 LYS A 42 7.869 -6.071 4.813 1.00 0.65 H new ATOM 0 HD2 LYS A 42 6.210 -6.890 7.247 1.00 1.25 H new ATOM 0 HD3 LYS A 42 7.493 -7.841 6.524 1.00 1.25 H new ATOM 0 HE2 LYS A 42 8.906 -5.578 6.876 1.00 1.94 H new ATOM 0 HE3 LYS A 42 7.689 -5.266 8.098 1.00 1.94 H new ATOM 0 HZ1 LYS A 42 9.599 -6.373 9.026 1.00 2.90 H new ATOM 0 HZ2 LYS A 42 8.234 -7.376 9.139 1.00 2.90 H new ATOM 0 HZ3 LYS A 42 9.413 -7.678 7.955 1.00 2.90 H new ATOM 646 N ALA A 43 4.421 -2.749 4.346 1.00 0.50 N ATOM 647 CA ALA A 43 3.447 -1.706 4.157 1.00 0.48 C ATOM 648 C ALA A 43 2.207 -2.056 4.983 1.00 0.48 C ATOM 649 O ALA A 43 1.718 -3.183 4.915 1.00 0.55 O ATOM 650 CB ALA A 43 3.168 -1.629 2.654 1.00 0.58 C ATOM 0 H ALA A 43 3.999 -3.654 4.557 1.00 0.50 H new ATOM 0 HA ALA A 43 3.789 -0.728 4.494 1.00 0.48 H new ATOM 0 HB1 ALA A 43 2.432 -0.849 2.460 1.00 0.58 H new ATOM 0 HB2 ALA A 43 4.092 -1.396 2.124 1.00 0.58 H new ATOM 0 HB3 ALA A 43 2.781 -2.587 2.306 1.00 0.58 H new ATOM 656 N GLU A 44 1.745 -1.096 5.789 1.00 0.47 N ATOM 657 CA GLU A 44 0.723 -1.254 6.815 1.00 0.59 C ATOM 658 C GLU A 44 -0.426 -0.291 6.508 1.00 0.52 C ATOM 659 O GLU A 44 -0.617 0.705 7.201 1.00 0.64 O ATOM 660 CB GLU A 44 1.382 -0.971 8.178 1.00 0.89 C ATOM 661 CG GLU A 44 0.482 -1.302 9.376 1.00 1.87 C ATOM 662 CD GLU A 44 1.142 -0.939 10.702 1.00 2.00 C ATOM 663 OE1 GLU A 44 2.363 -0.692 10.704 1.00 2.18 O ATOM 664 OE2 GLU A 44 0.394 -0.935 11.706 1.00 2.91 O ATOM 0 H GLU A 44 2.095 -0.139 5.737 1.00 0.47 H new ATOM 0 HA GLU A 44 0.309 -2.262 6.837 1.00 0.59 H new ATOM 0 HB2 GLU A 44 2.302 -1.550 8.255 1.00 0.89 H new ATOM 0 HB3 GLU A 44 1.663 0.081 8.225 1.00 0.89 H new ATOM 0 HG2 GLU A 44 -0.461 -0.764 9.281 1.00 1.87 H new ATOM 0 HG3 GLU A 44 0.244 -2.366 9.368 1.00 1.87 H new ATOM 671 N VAL A 45 -1.164 -0.549 5.428 1.00 0.47 N ATOM 672 CA VAL A 45 -2.277 0.307 5.034 1.00 0.44 C ATOM 673 C VAL A 45 -3.519 -0.147 5.812 1.00 0.46 C ATOM 674 O VAL A 45 -3.562 -1.264 6.326 1.00 0.75 O ATOM 675 CB VAL A 45 -2.409 0.372 3.490 1.00 0.52 C ATOM 676 CG1 VAL A 45 -1.875 -0.852 2.735 1.00 1.48 C ATOM 677 CG2 VAL A 45 -3.827 0.668 2.985 1.00 1.63 C ATOM 0 H VAL A 45 -1.009 -1.346 4.811 1.00 0.47 H new ATOM 0 HA VAL A 45 -2.114 1.350 5.305 1.00 0.44 H new ATOM 0 HB VAL A 45 -1.764 1.221 3.261 1.00 0.52 H new ATOM 0 HG11 VAL A 45 -2.014 -0.708 1.664 1.00 1.48 H new ATOM 0 HG12 VAL A 45 -0.814 -0.977 2.950 1.00 1.48 H new ATOM 0 HG13 VAL A 45 -2.417 -1.742 3.055 1.00 1.48 H new ATOM 0 HG21 VAL A 45 -3.827 0.695 1.895 1.00 1.63 H new ATOM 0 HG22 VAL A 45 -4.506 -0.113 3.328 1.00 1.63 H new ATOM 0 HG23 VAL A 45 -4.157 1.632 3.372 1.00 1.63 H new ATOM 687 N ARG A 46 -4.524 0.720 5.954 1.00 0.40 N ATOM 688 CA ARG A 46 -5.807 0.351 6.539 1.00 0.36 C ATOM 689 C ARG A 46 -6.909 0.694 5.547 1.00 0.34 C ATOM 690 O ARG A 46 -6.774 1.677 4.824 1.00 0.46 O ATOM 691 CB ARG A 46 -5.988 1.048 7.892 1.00 0.43 C ATOM 692 CG ARG A 46 -7.193 0.479 8.650 1.00 0.47 C ATOM 693 CD ARG A 46 -7.461 1.236 9.957 1.00 0.74 C ATOM 694 NE ARG A 46 -7.513 0.327 11.110 1.00 1.82 N ATOM 695 CZ ARG A 46 -7.564 0.724 12.393 1.00 2.35 C ATOM 696 NH1 ARG A 46 -7.607 2.029 12.683 1.00 1.88 N ATOM 697 NH2 ARG A 46 -7.567 -0.186 13.374 1.00 3.98 N ATOM 0 H ARG A 46 -4.467 1.697 5.665 1.00 0.40 H new ATOM 0 HA ARG A 46 -5.851 -0.720 6.735 1.00 0.36 H new ATOM 0 HB2 ARG A 46 -5.086 0.924 8.492 1.00 0.43 H new ATOM 0 HB3 ARG A 46 -6.124 2.118 7.738 1.00 0.43 H new ATOM 0 HG2 ARG A 46 -8.077 0.529 8.015 1.00 0.47 H new ATOM 0 HG3 ARG A 46 -7.018 -0.574 8.871 1.00 0.47 H new ATOM 0 HD2 ARG A 46 -6.679 1.979 10.114 1.00 0.74 H new ATOM 0 HD3 ARG A 46 -8.404 1.777 9.877 1.00 0.74 H new ATOM 0 HE ARG A 46 -7.510 -0.676 10.924 1.00 1.82 H new ATOM 0 HH11 ARG A 46 -7.601 2.719 11.932 1.00 1.88 H new ATOM 0 HH12 ARG A 46 -7.646 2.334 13.655 1.00 1.88 H new ATOM 0 HH21 ARG A 46 -7.531 -1.180 13.148 1.00 3.98 H new ATOM 0 HH22 ARG A 46 -7.606 0.114 14.348 1.00 3.98 H new ATOM 711 N TYR A 47 -7.972 -0.115 5.493 1.00 0.60 N ATOM 712 CA TYR A 47 -8.999 -0.024 4.466 1.00 0.69 C ATOM 713 C TYR A 47 -10.318 -0.622 4.962 1.00 0.62 C ATOM 714 O TYR A 47 -10.458 -0.922 6.149 1.00 0.60 O ATOM 715 CB TYR A 47 -8.495 -0.709 3.183 1.00 0.75 C ATOM 716 CG TYR A 47 -8.642 -2.223 3.116 1.00 0.65 C ATOM 717 CD1 TYR A 47 -8.237 -3.039 4.189 1.00 1.72 C ATOM 718 CD2 TYR A 47 -9.108 -2.823 1.933 1.00 1.87 C ATOM 719 CE1 TYR A 47 -8.258 -4.438 4.069 1.00 1.70 C ATOM 720 CE2 TYR A 47 -9.106 -4.220 1.805 1.00 1.92 C ATOM 721 CZ TYR A 47 -8.654 -5.027 2.861 1.00 0.78 C ATOM 722 OH TYR A 47 -8.558 -6.375 2.694 1.00 1.06 O ATOM 0 H TYR A 47 -8.140 -0.858 6.172 1.00 0.60 H new ATOM 0 HA TYR A 47 -9.199 1.023 4.237 1.00 0.69 H new ATOM 0 HB2 TYR A 47 -9.026 -0.277 2.335 1.00 0.75 H new ATOM 0 HB3 TYR A 47 -7.441 -0.463 3.057 1.00 0.75 H new ATOM 0 HD1 TYR A 47 -7.907 -2.585 5.112 1.00 1.72 H new ATOM 0 HD2 TYR A 47 -9.468 -2.208 1.122 1.00 1.87 H new ATOM 0 HE1 TYR A 47 -7.970 -5.058 4.905 1.00 1.70 H new ATOM 0 HE2 TYR A 47 -9.454 -4.677 0.890 1.00 1.92 H new ATOM 0 HH TYR A 47 -8.668 -6.821 3.560 1.00 1.06 H new ATOM 732 N ASN A 48 -11.276 -0.826 4.054 1.00 0.66 N ATOM 733 CA ASN A 48 -12.505 -1.572 4.307 1.00 0.71 C ATOM 734 C ASN A 48 -12.830 -2.419 3.071 1.00 0.61 C ATOM 735 O ASN A 48 -13.231 -1.841 2.064 1.00 0.64 O ATOM 736 CB ASN A 48 -13.639 -0.577 4.578 1.00 1.03 C ATOM 737 CG ASN A 48 -15.007 -1.257 4.583 1.00 1.70 C ATOM 738 OD1 ASN A 48 -15.131 -2.435 4.900 1.00 2.27 O ATOM 739 ND2 ASN A 48 -16.054 -0.524 4.218 1.00 2.26 N ATOM 0 H ASN A 48 -11.214 -0.467 3.101 1.00 0.66 H new ATOM 0 HA ASN A 48 -12.387 -2.226 5.171 1.00 0.71 H new ATOM 0 HB2 ASN A 48 -13.472 -0.090 5.539 1.00 1.03 H new ATOM 0 HB3 ASN A 48 -13.625 0.204 3.818 1.00 1.03 H new ATOM 0 HD21 ASN A 48 -16.985 -0.940 4.197 1.00 2.26 H new ATOM 0 HD22 ASN A 48 -15.926 0.454 3.959 1.00 2.26 H new ATOM 746 N PRO A 49 -12.677 -3.755 3.093 1.00 0.59 N ATOM 747 CA PRO A 49 -12.908 -4.588 1.920 1.00 0.66 C ATOM 748 C PRO A 49 -14.406 -4.718 1.615 1.00 0.82 C ATOM 749 O PRO A 49 -15.003 -5.774 1.801 1.00 1.08 O ATOM 750 CB PRO A 49 -12.250 -5.930 2.245 1.00 0.77 C ATOM 751 CG PRO A 49 -12.371 -6.019 3.765 1.00 0.73 C ATOM 752 CD PRO A 49 -12.223 -4.563 4.214 1.00 0.64 C ATOM 0 HA PRO A 49 -12.480 -4.157 1.015 1.00 0.66 H new ATOM 0 HB2 PRO A 49 -12.759 -6.758 1.751 1.00 0.77 H new ATOM 0 HB3 PRO A 49 -11.209 -5.957 1.922 1.00 0.77 H new ATOM 0 HG2 PRO A 49 -13.330 -6.438 4.069 1.00 0.73 H new ATOM 0 HG3 PRO A 49 -11.596 -6.653 4.194 1.00 0.73 H new ATOM 0 HD2 PRO A 49 -12.819 -4.366 5.105 1.00 0.64 H new ATOM 0 HD3 PRO A 49 -11.187 -4.335 4.467 1.00 0.64 H new ATOM 760 N ALA A 50 -14.997 -3.635 1.111 1.00 0.75 N ATOM 761 CA ALA A 50 -16.372 -3.572 0.647 1.00 1.02 C ATOM 762 C ALA A 50 -16.400 -2.770 -0.651 1.00 1.07 C ATOM 763 O ALA A 50 -16.712 -3.309 -1.709 1.00 1.48 O ATOM 764 CB ALA A 50 -17.253 -2.945 1.732 1.00 1.20 C ATOM 0 H ALA A 50 -14.507 -2.746 1.013 1.00 0.75 H new ATOM 0 HA ALA A 50 -16.767 -4.569 0.449 1.00 1.02 H new ATOM 0 HB1 ALA A 50 -18.284 -2.899 1.382 1.00 1.20 H new ATOM 0 HB2 ALA A 50 -17.204 -3.552 2.636 1.00 1.20 H new ATOM 0 HB3 ALA A 50 -16.899 -1.938 1.951 1.00 1.20 H new ATOM 770 N VAL A 51 -16.047 -1.484 -0.566 1.00 0.83 N ATOM 771 CA VAL A 51 -16.074 -0.567 -1.694 1.00 0.91 C ATOM 772 C VAL A 51 -14.718 -0.591 -2.406 1.00 0.76 C ATOM 773 O VAL A 51 -14.644 -0.858 -3.602 1.00 1.06 O ATOM 774 CB VAL A 51 -16.448 0.840 -1.191 1.00 1.06 C ATOM 775 CG1 VAL A 51 -16.636 1.793 -2.375 1.00 1.34 C ATOM 776 CG2 VAL A 51 -17.748 0.812 -0.373 1.00 1.38 C ATOM 0 H VAL A 51 -15.731 -1.051 0.302 1.00 0.83 H new ATOM 0 HA VAL A 51 -16.827 -0.871 -2.421 1.00 0.91 H new ATOM 0 HB VAL A 51 -15.634 1.187 -0.555 1.00 1.06 H new ATOM 0 HG11 VAL A 51 -16.900 2.784 -2.006 1.00 1.34 H new ATOM 0 HG12 VAL A 51 -15.709 1.853 -2.945 1.00 1.34 H new ATOM 0 HG13 VAL A 51 -17.433 1.421 -3.018 1.00 1.34 H new ATOM 0 HG21 VAL A 51 -17.985 1.820 -0.032 1.00 1.38 H new ATOM 0 HG22 VAL A 51 -18.561 0.439 -0.995 1.00 1.38 H new ATOM 0 HG23 VAL A 51 -17.621 0.158 0.490 1.00 1.38 H new ATOM 786 N ILE A 52 -13.648 -0.302 -1.660 1.00 0.49 N ATOM 787 CA ILE A 52 -12.316 -0.072 -2.209 1.00 0.56 C ATOM 788 C ILE A 52 -11.776 -1.297 -2.946 1.00 0.69 C ATOM 789 O ILE A 52 -11.214 -1.148 -4.022 1.00 1.15 O ATOM 790 CB ILE A 52 -11.365 0.455 -1.120 1.00 0.62 C ATOM 791 CG1 ILE A 52 -9.919 0.571 -1.616 1.00 0.91 C ATOM 792 CG2 ILE A 52 -11.458 -0.319 0.199 1.00 0.68 C ATOM 793 CD1 ILE A 52 -9.062 1.306 -0.585 1.00 1.36 C ATOM 0 H ILE A 52 -13.687 -0.221 -0.644 1.00 0.49 H new ATOM 0 HA ILE A 52 -12.390 0.706 -2.968 1.00 0.56 H new ATOM 0 HB ILE A 52 -11.711 1.464 -0.897 1.00 0.62 H new ATOM 0 HG12 ILE A 52 -9.509 -0.422 -1.798 1.00 0.91 H new ATOM 0 HG13 ILE A 52 -9.895 1.105 -2.566 1.00 0.91 H new ATOM 0 HG21 ILE A 52 -10.761 0.107 0.921 1.00 0.68 H new ATOM 0 HG22 ILE A 52 -12.473 -0.250 0.591 1.00 0.68 H new ATOM 0 HG23 ILE A 52 -11.207 -1.365 0.025 1.00 0.68 H new ATOM 0 HD11 ILE A 52 -8.038 1.381 -0.950 1.00 1.36 H new ATOM 0 HD12 ILE A 52 -9.464 2.306 -0.424 1.00 1.36 H new ATOM 0 HD13 ILE A 52 -9.072 0.755 0.356 1.00 1.36 H new ATOM 805 N GLN A 53 -11.969 -2.488 -2.370 1.00 0.50 N ATOM 806 CA GLN A 53 -11.595 -3.802 -2.882 1.00 0.60 C ATOM 807 C GLN A 53 -10.085 -4.079 -2.700 1.00 0.56 C ATOM 808 O GLN A 53 -9.254 -3.357 -3.248 1.00 0.52 O ATOM 809 CB GLN A 53 -12.077 -4.018 -4.332 1.00 0.70 C ATOM 810 CG GLN A 53 -13.364 -4.846 -4.461 1.00 1.07 C ATOM 811 CD GLN A 53 -13.053 -6.311 -4.751 1.00 1.80 C ATOM 812 OE1 GLN A 53 -12.666 -6.657 -5.861 1.00 3.00 O ATOM 813 NE2 GLN A 53 -13.196 -7.191 -3.765 1.00 1.87 N ATOM 0 H GLN A 53 -12.428 -2.559 -1.462 1.00 0.50 H new ATOM 0 HA GLN A 53 -12.117 -4.546 -2.280 1.00 0.60 H new ATOM 0 HB2 GLN A 53 -12.238 -3.045 -4.796 1.00 0.70 H new ATOM 0 HB3 GLN A 53 -11.285 -4.512 -4.895 1.00 0.70 H new ATOM 0 HG2 GLN A 53 -13.942 -4.770 -3.540 1.00 1.07 H new ATOM 0 HG3 GLN A 53 -13.983 -4.438 -5.260 1.00 1.07 H new ATOM 0 HE21 GLN A 53 -13.520 -6.882 -2.848 1.00 1.87 H new ATOM 0 HE22 GLN A 53 -12.982 -8.175 -3.925 1.00 1.87 H new ATOM 822 N PRO A 54 -9.699 -5.138 -1.960 1.00 0.64 N ATOM 823 CA PRO A 54 -8.300 -5.488 -1.743 1.00 0.71 C ATOM 824 C PRO A 54 -7.442 -5.615 -3.013 1.00 0.76 C ATOM 825 O PRO A 54 -6.307 -5.142 -2.997 1.00 0.81 O ATOM 826 CB PRO A 54 -8.270 -6.755 -0.883 1.00 0.88 C ATOM 827 CG PRO A 54 -9.708 -7.265 -0.861 1.00 0.89 C ATOM 828 CD PRO A 54 -10.578 -6.087 -1.293 1.00 0.76 C ATOM 0 HA PRO A 54 -7.824 -4.653 -1.228 1.00 0.71 H new ATOM 0 HB2 PRO A 54 -7.595 -7.500 -1.305 1.00 0.88 H new ATOM 0 HB3 PRO A 54 -7.915 -6.538 0.124 1.00 0.88 H new ATOM 0 HG2 PRO A 54 -9.833 -8.111 -1.537 1.00 0.89 H new ATOM 0 HG3 PRO A 54 -9.985 -7.610 0.135 1.00 0.89 H new ATOM 0 HD2 PRO A 54 -11.371 -6.417 -1.964 1.00 0.76 H new ATOM 0 HD3 PRO A 54 -11.061 -5.627 -0.431 1.00 0.76 H new ATOM 836 N PRO A 55 -7.903 -6.232 -4.118 1.00 0.80 N ATOM 837 CA PRO A 55 -7.101 -6.239 -5.331 1.00 0.89 C ATOM 838 C PRO A 55 -6.836 -4.817 -5.830 1.00 0.87 C ATOM 839 O PRO A 55 -5.735 -4.539 -6.306 1.00 1.14 O ATOM 840 CB PRO A 55 -7.859 -7.101 -6.346 1.00 0.99 C ATOM 841 CG PRO A 55 -9.300 -7.075 -5.846 1.00 0.94 C ATOM 842 CD PRO A 55 -9.138 -6.979 -4.330 1.00 0.85 C ATOM 0 HA PRO A 55 -6.111 -6.660 -5.156 1.00 0.89 H new ATOM 0 HB2 PRO A 55 -7.779 -6.695 -7.354 1.00 0.99 H new ATOM 0 HB3 PRO A 55 -7.466 -8.117 -6.380 1.00 0.99 H new ATOM 0 HG2 PRO A 55 -9.851 -6.224 -6.247 1.00 0.94 H new ATOM 0 HG3 PRO A 55 -9.844 -7.973 -6.137 1.00 0.94 H new ATOM 0 HD2 PRO A 55 -9.988 -6.470 -3.876 1.00 0.85 H new ATOM 0 HD3 PRO A 55 -9.081 -7.969 -3.878 1.00 0.85 H new ATOM 850 N MET A 56 -7.811 -3.909 -5.703 1.00 0.66 N ATOM 851 CA MET A 56 -7.660 -2.580 -6.266 1.00 0.62 C ATOM 852 C MET A 56 -6.528 -1.835 -5.567 1.00 0.59 C ATOM 853 O MET A 56 -5.671 -1.287 -6.252 1.00 0.60 O ATOM 854 CB MET A 56 -8.954 -1.773 -6.171 1.00 0.69 C ATOM 855 CG MET A 56 -10.136 -2.391 -6.924 1.00 1.26 C ATOM 856 SD MET A 56 -10.016 -2.356 -8.729 1.00 2.48 S ATOM 857 CE MET A 56 -11.624 -3.059 -9.154 1.00 3.29 C ATOM 0 H MET A 56 -8.695 -4.074 -5.222 1.00 0.66 H new ATOM 0 HA MET A 56 -7.418 -2.697 -7.322 1.00 0.62 H new ATOM 0 HB2 MET A 56 -9.224 -1.663 -5.121 1.00 0.69 H new ATOM 0 HB3 MET A 56 -8.774 -0.771 -6.560 1.00 0.69 H new ATOM 0 HG2 MET A 56 -10.245 -3.427 -6.605 1.00 1.26 H new ATOM 0 HG3 MET A 56 -11.046 -1.869 -6.628 1.00 1.26 H new ATOM 0 HE1 MET A 56 -11.723 -3.112 -10.238 1.00 3.29 H new ATOM 0 HE2 MET A 56 -11.706 -4.061 -8.733 1.00 3.29 H new ATOM 0 HE3 MET A 56 -12.415 -2.429 -8.748 1.00 3.29 H new ATOM 867 N ILE A 57 -6.498 -1.808 -4.225 1.00 0.62 N ATOM 868 CA ILE A 57 -5.409 -1.098 -3.545 1.00 0.72 C ATOM 869 C ILE A 57 -4.043 -1.610 -3.990 1.00 0.66 C ATOM 870 O ILE A 57 -3.163 -0.818 -4.325 1.00 0.70 O ATOM 871 CB ILE A 57 -5.517 -1.083 -2.006 1.00 1.03 C ATOM 872 CG1 ILE A 57 -6.348 -2.213 -1.383 1.00 0.92 C ATOM 873 CG2 ILE A 57 -6.047 0.286 -1.610 1.00 2.26 C ATOM 874 CD1 ILE A 57 -6.225 -2.264 0.144 1.00 1.08 C ATOM 0 H ILE A 57 -7.184 -2.250 -3.613 1.00 0.62 H new ATOM 0 HA ILE A 57 -5.516 -0.059 -3.856 1.00 0.72 H new ATOM 0 HB ILE A 57 -4.521 -1.270 -1.604 1.00 1.03 H new ATOM 0 HG12 ILE A 57 -7.395 -2.081 -1.655 1.00 0.92 H new ATOM 0 HG13 ILE A 57 -6.028 -3.167 -1.801 1.00 0.92 H new ATOM 0 HG21 ILE A 57 -6.139 0.341 -0.525 1.00 2.26 H new ATOM 0 HG22 ILE A 57 -5.358 1.057 -1.955 1.00 2.26 H new ATOM 0 HG23 ILE A 57 -7.025 0.443 -2.066 1.00 2.26 H new ATOM 0 HD11 ILE A 57 -6.833 -3.082 0.531 1.00 1.08 H new ATOM 0 HD12 ILE A 57 -5.183 -2.425 0.420 1.00 1.08 H new ATOM 0 HD13 ILE A 57 -6.571 -1.322 0.569 1.00 1.08 H new ATOM 886 N ALA A 58 -3.862 -2.932 -4.004 1.00 0.63 N ATOM 887 CA ALA A 58 -2.636 -3.507 -4.517 1.00 0.70 C ATOM 888 C ALA A 58 -2.339 -2.978 -5.918 1.00 0.64 C ATOM 889 O ALA A 58 -1.273 -2.414 -6.149 1.00 0.65 O ATOM 890 CB ALA A 58 -2.730 -5.031 -4.505 1.00 0.82 C ATOM 0 H ALA A 58 -4.545 -3.611 -3.668 1.00 0.63 H new ATOM 0 HA ALA A 58 -1.808 -3.212 -3.872 1.00 0.70 H new ATOM 0 HB1 ALA A 58 -1.804 -5.456 -4.892 1.00 0.82 H new ATOM 0 HB2 ALA A 58 -2.889 -5.378 -3.484 1.00 0.82 H new ATOM 0 HB3 ALA A 58 -3.564 -5.349 -5.130 1.00 0.82 H new ATOM 896 N GLU A 59 -3.273 -3.125 -6.854 1.00 0.63 N ATOM 897 CA GLU A 59 -3.069 -2.674 -8.217 1.00 0.66 C ATOM 898 C GLU A 59 -2.711 -1.191 -8.316 1.00 0.60 C ATOM 899 O GLU A 59 -1.755 -0.855 -9.011 1.00 0.62 O ATOM 900 CB GLU A 59 -4.288 -3.020 -9.050 1.00 0.72 C ATOM 901 CG GLU A 59 -4.272 -4.527 -9.362 1.00 1.01 C ATOM 902 CD GLU A 59 -5.407 -4.974 -10.270 1.00 1.24 C ATOM 903 OE1 GLU A 59 -6.424 -4.252 -10.331 1.00 2.42 O ATOM 904 OE2 GLU A 59 -5.220 -6.046 -10.886 1.00 1.84 O ATOM 0 H GLU A 59 -4.182 -3.556 -6.686 1.00 0.63 H new ATOM 0 HA GLU A 59 -2.201 -3.200 -8.615 1.00 0.66 H new ATOM 0 HB2 GLU A 59 -5.199 -2.757 -8.512 1.00 0.72 H new ATOM 0 HB3 GLU A 59 -4.287 -2.444 -9.975 1.00 0.72 H new ATOM 0 HG2 GLU A 59 -3.321 -4.782 -9.830 1.00 1.01 H new ATOM 0 HG3 GLU A 59 -4.326 -5.084 -8.426 1.00 1.01 H new ATOM 911 N PHE A 60 -3.424 -0.316 -7.601 1.00 0.59 N ATOM 912 CA PHE A 60 -3.046 1.072 -7.412 1.00 0.62 C ATOM 913 C PHE A 60 -1.550 1.189 -7.147 1.00 0.64 C ATOM 914 O PHE A 60 -0.860 1.983 -7.766 1.00 0.80 O ATOM 915 CB PHE A 60 -3.826 1.654 -6.220 1.00 0.67 C ATOM 916 CG PHE A 60 -4.312 3.064 -6.437 1.00 0.74 C ATOM 917 CD1 PHE A 60 -3.446 4.055 -6.933 1.00 2.31 C ATOM 918 CD2 PHE A 60 -5.679 3.346 -6.276 1.00 1.54 C ATOM 919 CE1 PHE A 60 -3.959 5.297 -7.329 1.00 2.36 C ATOM 920 CE2 PHE A 60 -6.191 4.587 -6.672 1.00 1.57 C ATOM 921 CZ PHE A 60 -5.333 5.570 -7.196 1.00 0.93 C ATOM 0 H PHE A 60 -4.295 -0.565 -7.132 1.00 0.59 H new ATOM 0 HA PHE A 60 -3.284 1.628 -8.319 1.00 0.62 H new ATOM 0 HB2 PHE A 60 -4.683 1.013 -6.011 1.00 0.67 H new ATOM 0 HB3 PHE A 60 -3.189 1.632 -5.336 1.00 0.67 H new ATOM 0 HD1 PHE A 60 -2.387 3.859 -7.009 1.00 2.31 H new ATOM 0 HD2 PHE A 60 -6.336 2.604 -5.846 1.00 1.54 H new ATOM 0 HE1 PHE A 60 -3.298 6.047 -7.738 1.00 2.36 H new ATOM 0 HE2 PHE A 60 -7.247 4.790 -6.575 1.00 1.57 H new ATOM 0 HZ PHE A 60 -5.727 6.530 -7.495 1.00 0.93 H new ATOM 931 N ILE A 61 -1.029 0.379 -6.228 1.00 0.57 N ATOM 932 CA ILE A 61 0.381 0.464 -5.867 1.00 0.58 C ATOM 933 C ILE A 61 1.225 -0.067 -7.025 1.00 0.59 C ATOM 934 O ILE A 61 2.268 0.492 -7.367 1.00 0.63 O ATOM 935 CB ILE A 61 0.624 -0.253 -4.528 1.00 0.63 C ATOM 936 CG1 ILE A 61 -0.074 0.537 -3.407 1.00 0.74 C ATOM 937 CG2 ILE A 61 2.125 -0.387 -4.245 1.00 0.65 C ATOM 938 CD1 ILE A 61 -0.326 -0.331 -2.176 1.00 0.87 C ATOM 0 H ILE A 61 -1.556 -0.335 -5.726 1.00 0.57 H new ATOM 0 HA ILE A 61 0.686 1.498 -5.707 1.00 0.58 H new ATOM 0 HB ILE A 61 0.209 -1.260 -4.576 1.00 0.63 H new ATOM 0 HG12 ILE A 61 0.540 1.393 -3.129 1.00 0.74 H new ATOM 0 HG13 ILE A 61 -1.022 0.930 -3.775 1.00 0.74 H new ATOM 0 HG21 ILE A 61 2.272 -0.897 -3.293 1.00 0.65 H new ATOM 0 HG22 ILE A 61 2.595 -0.963 -5.042 1.00 0.65 H new ATOM 0 HG23 ILE A 61 2.576 0.604 -4.199 1.00 0.65 H new ATOM 0 HD11 ILE A 61 -0.820 0.263 -1.407 1.00 0.87 H new ATOM 0 HD12 ILE A 61 -0.962 -1.173 -2.449 1.00 0.87 H new ATOM 0 HD13 ILE A 61 0.624 -0.703 -1.792 1.00 0.87 H new ATOM 950 N ARG A 62 0.762 -1.146 -7.655 1.00 0.60 N ATOM 951 CA ARG A 62 1.443 -1.729 -8.795 1.00 0.66 C ATOM 952 C ARG A 62 1.459 -0.803 -10.018 1.00 0.68 C ATOM 953 O ARG A 62 2.158 -1.138 -10.972 1.00 0.74 O ATOM 954 CB ARG A 62 0.845 -3.091 -9.179 1.00 0.73 C ATOM 955 CG ARG A 62 0.874 -4.120 -8.040 1.00 0.79 C ATOM 956 CD ARG A 62 0.019 -5.350 -8.383 1.00 1.02 C ATOM 957 NE ARG A 62 0.802 -6.379 -9.084 1.00 1.17 N ATOM 958 CZ ARG A 62 0.287 -7.479 -9.658 1.00 1.64 C ATOM 959 NH1 ARG A 62 -1.038 -7.614 -9.795 1.00 2.30 N ATOM 960 NH2 ARG A 62 1.109 -8.445 -10.085 1.00 1.99 N ATOM 0 H ARG A 62 -0.092 -1.634 -7.386 1.00 0.60 H new ATOM 0 HA ARG A 62 2.476 -1.874 -8.477 1.00 0.66 H new ATOM 0 HB2 ARG A 62 -0.186 -2.947 -9.501 1.00 0.73 H new ATOM 0 HB3 ARG A 62 1.393 -3.491 -10.032 1.00 0.73 H new ATOM 0 HG2 ARG A 62 1.902 -4.429 -7.851 1.00 0.79 H new ATOM 0 HG3 ARG A 62 0.505 -3.662 -7.122 1.00 0.79 H new ATOM 0 HD2 ARG A 62 -0.397 -5.770 -7.468 1.00 1.02 H new ATOM 0 HD3 ARG A 62 -0.822 -5.046 -9.006 1.00 1.02 H new ATOM 0 HE ARG A 62 1.812 -6.248 -9.138 1.00 1.17 H new ATOM 0 HH11 ARG A 62 -1.663 -6.879 -9.463 1.00 2.30 H new ATOM 0 HH12 ARG A 62 -1.423 -8.452 -10.232 1.00 2.30 H new ATOM 0 HH21 ARG A 62 2.118 -8.343 -9.973 1.00 1.99 H new ATOM 0 HH22 ARG A 62 0.727 -9.284 -10.522 1.00 1.99 H new ATOM 974 N GLU A 63 0.751 0.338 -10.025 1.00 0.70 N ATOM 975 CA GLU A 63 0.859 1.320 -11.104 1.00 0.77 C ATOM 976 C GLU A 63 2.331 1.671 -11.376 1.00 0.81 C ATOM 977 O GLU A 63 2.717 1.959 -12.506 1.00 0.89 O ATOM 978 CB GLU A 63 0.015 2.569 -10.783 1.00 0.82 C ATOM 979 CG GLU A 63 0.707 3.544 -9.816 1.00 2.22 C ATOM 980 CD GLU A 63 -0.153 4.748 -9.444 1.00 3.04 C ATOM 981 OE1 GLU A 63 -1.295 4.829 -9.945 1.00 2.97 O ATOM 982 OE2 GLU A 63 0.376 5.589 -8.683 1.00 4.45 O ATOM 0 H GLU A 63 0.095 0.600 -9.289 1.00 0.70 H new ATOM 0 HA GLU A 63 0.459 0.883 -12.019 1.00 0.77 H new ATOM 0 HB2 GLU A 63 -0.214 3.092 -11.712 1.00 0.82 H new ATOM 0 HB3 GLU A 63 -0.935 2.255 -10.352 1.00 0.82 H new ATOM 0 HG2 GLU A 63 0.980 3.008 -8.907 1.00 2.22 H new ATOM 0 HG3 GLU A 63 1.634 3.896 -10.269 1.00 2.22 H new ATOM 989 N LEU A 64 3.157 1.604 -10.326 1.00 0.79 N ATOM 990 CA LEU A 64 4.569 1.958 -10.357 1.00 0.85 C ATOM 991 C LEU A 64 5.417 0.807 -10.920 1.00 0.85 C ATOM 992 O LEU A 64 6.584 1.004 -11.244 1.00 0.97 O ATOM 993 CB LEU A 64 5.020 2.267 -8.924 1.00 0.94 C ATOM 994 CG LEU A 64 4.172 3.329 -8.202 1.00 0.80 C ATOM 995 CD1 LEU A 64 4.309 3.205 -6.684 1.00 0.96 C ATOM 996 CD2 LEU A 64 4.551 4.747 -8.635 1.00 1.18 C ATOM 0 H LEU A 64 2.846 1.292 -9.406 1.00 0.79 H new ATOM 0 HA LEU A 64 4.705 2.825 -11.003 1.00 0.85 H new ATOM 0 HB2 LEU A 64 4.997 1.345 -8.343 1.00 0.94 H new ATOM 0 HB3 LEU A 64 6.057 2.603 -8.948 1.00 0.94 H new ATOM 0 HG LEU A 64 3.135 3.147 -8.483 1.00 0.80 H new ATOM 0 HD11 LEU A 64 3.699 3.968 -6.200 1.00 0.96 H new ATOM 0 HD12 LEU A 64 3.973 2.217 -6.368 1.00 0.96 H new ATOM 0 HD13 LEU A 64 5.353 3.341 -6.401 1.00 0.96 H new ATOM 0 HD21 LEU A 64 3.930 5.468 -8.103 1.00 1.18 H new ATOM 0 HD22 LEU A 64 5.600 4.930 -8.403 1.00 1.18 H new ATOM 0 HD23 LEU A 64 4.393 4.854 -9.708 1.00 1.18 H new ATOM 1008 N GLY A 65 4.841 -0.395 -11.034 1.00 0.78 N ATOM 1009 CA GLY A 65 5.504 -1.567 -11.583 1.00 0.78 C ATOM 1010 C GLY A 65 6.469 -2.185 -10.576 1.00 0.77 C ATOM 1011 O GLY A 65 7.614 -2.478 -10.916 1.00 0.88 O ATOM 0 H GLY A 65 3.882 -0.576 -10.739 1.00 0.78 H new ATOM 0 HA2 GLY A 65 4.757 -2.306 -11.874 1.00 0.78 H new ATOM 0 HA3 GLY A 65 6.047 -1.290 -12.486 1.00 0.78 H new ATOM 1015 N PHE A 66 6.000 -2.411 -9.343 1.00 0.92 N ATOM 1016 CA PHE A 66 6.794 -2.993 -8.264 1.00 0.93 C ATOM 1017 C PHE A 66 6.188 -4.314 -7.793 1.00 0.84 C ATOM 1018 O PHE A 66 4.993 -4.568 -7.958 1.00 0.82 O ATOM 1019 CB PHE A 66 6.911 -2.002 -7.098 1.00 0.95 C ATOM 1020 CG PHE A 66 7.504 -0.643 -7.431 1.00 0.88 C ATOM 1021 CD1 PHE A 66 8.524 -0.511 -8.395 1.00 2.34 C ATOM 1022 CD2 PHE A 66 7.077 0.493 -6.717 1.00 1.73 C ATOM 1023 CE1 PHE A 66 9.033 0.757 -8.718 1.00 2.76 C ATOM 1024 CE2 PHE A 66 7.638 1.751 -6.995 1.00 2.22 C ATOM 1025 CZ PHE A 66 8.580 1.892 -8.027 1.00 2.22 C ATOM 0 H PHE A 66 5.043 -2.190 -9.067 1.00 0.92 H new ATOM 0 HA PHE A 66 7.794 -3.201 -8.645 1.00 0.93 H new ATOM 0 HB2 PHE A 66 5.917 -1.849 -6.677 1.00 0.95 H new ATOM 0 HB3 PHE A 66 7.520 -2.460 -6.319 1.00 0.95 H new ATOM 0 HD1 PHE A 66 8.916 -1.389 -8.887 1.00 2.34 H new ATOM 0 HD2 PHE A 66 6.318 0.397 -5.955 1.00 1.73 H new ATOM 0 HE1 PHE A 66 9.773 0.859 -9.498 1.00 2.76 H new ATOM 0 HE2 PHE A 66 7.344 2.612 -6.413 1.00 2.22 H new ATOM 0 HZ PHE A 66 8.955 2.871 -8.288 1.00 2.22 H new ATOM 1035 N GLY A 67 7.024 -5.148 -7.170 1.00 0.85 N ATOM 1036 CA GLY A 67 6.663 -6.496 -6.762 1.00 0.86 C ATOM 1037 C GLY A 67 5.914 -6.449 -5.436 1.00 0.78 C ATOM 1038 O GLY A 67 6.427 -6.892 -4.410 1.00 0.84 O ATOM 0 H GLY A 67 7.984 -4.896 -6.934 1.00 0.85 H new ATOM 0 HA2 GLY A 67 6.041 -6.963 -7.526 1.00 0.86 H new ATOM 0 HA3 GLY A 67 7.559 -7.108 -6.663 1.00 0.86 H new ATOM 1042 N ALA A 68 4.700 -5.900 -5.474 1.00 0.68 N ATOM 1043 CA ALA A 68 3.814 -5.842 -4.324 1.00 0.58 C ATOM 1044 C ALA A 68 3.066 -7.166 -4.179 1.00 0.52 C ATOM 1045 O ALA A 68 2.842 -7.871 -5.163 1.00 0.57 O ATOM 1046 CB ALA A 68 2.831 -4.680 -4.490 1.00 0.58 C ATOM 0 H ALA A 68 4.305 -5.480 -6.315 1.00 0.68 H new ATOM 0 HA ALA A 68 4.400 -5.676 -3.420 1.00 0.58 H new ATOM 0 HB1 ALA A 68 2.167 -4.639 -3.626 1.00 0.58 H new ATOM 0 HB2 ALA A 68 3.384 -3.744 -4.568 1.00 0.58 H new ATOM 0 HB3 ALA A 68 2.241 -4.829 -5.394 1.00 0.58 H new ATOM 1052 N THR A 69 2.663 -7.493 -2.953 1.00 0.47 N ATOM 1053 CA THR A 69 1.881 -8.670 -2.633 1.00 0.50 C ATOM 1054 C THR A 69 1.050 -8.294 -1.412 1.00 0.45 C ATOM 1055 O THR A 69 1.599 -7.845 -0.405 1.00 0.50 O ATOM 1056 CB THR A 69 2.749 -9.925 -2.473 1.00 0.67 C ATOM 1057 OG1 THR A 69 1.997 -10.995 -1.936 1.00 1.51 O ATOM 1058 CG2 THR A 69 3.945 -9.665 -1.574 1.00 1.11 C ATOM 0 H THR A 69 2.882 -6.925 -2.135 1.00 0.47 H new ATOM 0 HA THR A 69 1.215 -8.957 -3.447 1.00 0.50 H new ATOM 0 HB THR A 69 3.105 -10.192 -3.468 1.00 0.67 H new ATOM 0 HG1 THR A 69 2.570 -11.784 -1.845 1.00 1.51 H new ATOM 0 HG21 THR A 69 4.537 -10.576 -1.484 1.00 1.11 H new ATOM 0 HG22 THR A 69 4.559 -8.874 -2.005 1.00 1.11 H new ATOM 0 HG23 THR A 69 3.598 -9.358 -0.587 1.00 1.11 H new ATOM 1066 N VAL A 70 -0.274 -8.363 -1.559 1.00 0.52 N ATOM 1067 CA VAL A 70 -1.234 -7.902 -0.574 1.00 0.48 C ATOM 1068 C VAL A 70 -1.779 -9.110 0.174 1.00 0.58 C ATOM 1069 O VAL A 70 -2.176 -10.093 -0.451 1.00 0.72 O ATOM 1070 CB VAL A 70 -2.302 -7.052 -1.277 1.00 0.49 C ATOM 1071 CG1 VAL A 70 -3.153 -7.814 -2.307 1.00 0.56 C ATOM 1072 CG2 VAL A 70 -3.245 -6.423 -0.251 1.00 0.53 C ATOM 0 H VAL A 70 -0.713 -8.753 -2.393 1.00 0.52 H new ATOM 0 HA VAL A 70 -0.779 -7.254 0.175 1.00 0.48 H new ATOM 0 HB VAL A 70 -1.739 -6.295 -1.822 1.00 0.49 H new ATOM 0 HG11 VAL A 70 -3.880 -7.135 -2.752 1.00 0.56 H new ATOM 0 HG12 VAL A 70 -2.506 -8.216 -3.087 1.00 0.56 H new ATOM 0 HG13 VAL A 70 -3.677 -8.632 -1.812 1.00 0.56 H new ATOM 0 HG21 VAL A 70 -3.996 -5.824 -0.766 1.00 0.53 H new ATOM 0 HG22 VAL A 70 -3.738 -7.210 0.320 1.00 0.53 H new ATOM 0 HG23 VAL A 70 -2.674 -5.786 0.425 1.00 0.53 H new ATOM 1082 N ILE A 71 -1.737 -9.063 1.505 1.00 0.58 N ATOM 1083 CA ILE A 71 -2.078 -10.163 2.383 1.00 0.69 C ATOM 1084 C ILE A 71 -2.749 -9.586 3.637 1.00 0.83 C ATOM 1085 O ILE A 71 -2.675 -8.384 3.895 1.00 0.75 O ATOM 1086 CB ILE A 71 -0.825 -11.021 2.687 1.00 0.74 C ATOM 1087 CG1 ILE A 71 0.217 -10.307 3.567 1.00 0.97 C ATOM 1088 CG2 ILE A 71 -0.117 -11.483 1.403 1.00 1.51 C ATOM 1089 CD1 ILE A 71 0.257 -10.899 4.975 1.00 1.69 C ATOM 0 H ILE A 71 -1.453 -8.224 2.012 1.00 0.58 H new ATOM 0 HA ILE A 71 -2.787 -10.842 1.908 1.00 0.69 H new ATOM 0 HB ILE A 71 -1.217 -11.877 3.236 1.00 0.74 H new ATOM 0 HG12 ILE A 71 1.202 -10.390 3.108 1.00 0.97 H new ATOM 0 HG13 ILE A 71 -0.019 -9.244 3.624 1.00 0.97 H new ATOM 0 HG21 ILE A 71 0.756 -12.081 1.664 1.00 1.51 H new ATOM 0 HG22 ILE A 71 -0.803 -12.083 0.805 1.00 1.51 H new ATOM 0 HG23 ILE A 71 0.199 -10.612 0.828 1.00 1.51 H new ATOM 0 HD11 ILE A 71 1.003 -10.372 5.570 1.00 1.69 H new ATOM 0 HD12 ILE A 71 -0.722 -10.792 5.443 1.00 1.69 H new ATOM 0 HD13 ILE A 71 0.518 -11.956 4.918 1.00 1.69 H new