USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 586 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 25 ASN : amide:sc= 0.854 K(o=3.1,f=-6.3!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -157:sc= 2.27 (180deg=0.0705) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.366 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0974 (180deg=-0.0974) USER MOD Single : A 1 MET N :NH3+ 157:sc= 2.29 (180deg=2.18) USER MOD Single : A 2 GLN : amide:sc= -0.524 X(o=-0.52,f=-0.37) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 159:sc= 1.1 (180deg=-0.154!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.046 USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.0564 USER MOD Single : A 27 LYS NZ :NH3+ 165:sc= 1.17 (180deg=0.967) USER MOD Single : A 31 GLN : amide:sc= -0.768 K(o=-0.77,f=-2!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0489 K(o=-0.049,f=-2.6!) USER MOD Single : A 41 GLN : amide:sc= 1.03 K(o=1,f=-2.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -83:sc= 1.2 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 70:sc= 0.764 USER MOD Single : A 60 ASN : amide:sc= -0.0932 X(o=-0.093,f=-0.5) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 63 LYS NZ :NH3+ 163:sc= 1.26 (180deg=1) USER MOD Single : A 65 SER OG : rot 82:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0387 X(o=-0.039,f=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.819 -5.594 -3.639 1.00 0.78 N ATOM 2 CA MET A 1 12.601 -6.077 -2.257 1.00 0.70 C ATOM 3 C MET A 1 11.151 -6.273 -1.979 1.00 0.62 C ATOM 4 O MET A 1 10.353 -5.588 -2.619 1.00 0.68 O ATOM 5 CB MET A 1 13.142 -4.995 -1.307 1.00 0.75 C ATOM 6 CG MET A 1 12.450 -3.631 -1.318 1.00 0.79 C ATOM 7 SD MET A 1 13.259 -2.500 -0.147 1.00 1.10 S ATOM 8 CE MET A 1 12.097 -1.142 -0.469 1.00 0.84 C ATOM 0 H1 MET A 1 13.735 -5.105 -3.695 1.00 0.78 H new ATOM 0 H2 MET A 1 12.817 -6.402 -4.294 1.00 0.78 H new ATOM 0 H3 MET A 1 12.058 -4.935 -3.900 1.00 0.78 H new ATOM 0 HA MET A 1 13.106 -7.033 -2.119 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.096 -5.387 -0.291 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.195 -4.839 -1.541 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.481 -3.208 -2.322 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.399 -3.747 -1.054 1.00 0.79 H new ATOM 0 HE1 MET A 1 12.366 -0.280 0.142 1.00 0.84 H new ATOM 0 HE2 MET A 1 12.141 -0.868 -1.523 1.00 0.84 H new ATOM 0 HE3 MET A 1 11.085 -1.462 -0.219 1.00 0.84 H new ATOM 20 N GLN A 2 10.778 -7.077 -0.967 1.00 0.59 N ATOM 21 CA GLN A 2 9.419 -7.460 -0.737 1.00 0.56 C ATOM 22 C GLN A 2 8.762 -6.562 0.254 1.00 0.50 C ATOM 23 O GLN A 2 9.265 -6.249 1.332 1.00 0.60 O ATOM 24 CB GLN A 2 9.457 -8.913 -0.236 1.00 0.71 C ATOM 25 CG GLN A 2 10.054 -9.931 -1.209 1.00 1.15 C ATOM 26 CD GLN A 2 9.143 -10.361 -2.351 1.00 1.30 C ATOM 27 OE1 GLN A 2 8.503 -11.408 -2.284 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.133 -9.566 -3.454 1.00 1.72 N ATOM 0 H GLN A 2 11.435 -7.470 -0.293 1.00 0.59 H new ATOM 0 HA GLN A 2 8.831 -7.378 -1.651 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.029 -8.944 0.691 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.440 -9.222 0.007 1.00 0.71 H new ATOM 0 HG2 GLN A 2 10.965 -9.510 -1.634 1.00 1.15 H new ATOM 0 HG3 GLN A 2 10.345 -10.818 -0.646 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.679 -8.705 -3.467 1.00 1.72 H new ATOM 0 HE22 GLN A 2 8.579 -9.831 -4.269 1.00 1.72 H new ATOM 37 N ILE A 3 7.527 -6.104 -0.020 1.00 0.44 N ATOM 38 CA ILE A 3 6.683 -5.426 0.915 1.00 0.42 C ATOM 39 C ILE A 3 5.443 -6.245 1.028 1.00 0.40 C ATOM 40 O ILE A 3 5.048 -6.846 0.031 1.00 0.50 O ATOM 41 CB ILE A 3 6.411 -3.984 0.608 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.651 -3.677 -0.694 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.661 -3.139 0.903 1.00 0.61 C ATOM 44 CD1 ILE A 3 4.919 -2.337 -0.623 1.00 0.72 C ATOM 0 H ILE A 3 7.096 -6.212 -0.938 1.00 0.44 H new ATOM 0 HA ILE A 3 7.200 -5.351 1.871 1.00 0.42 H new ATOM 0 HB ILE A 3 5.638 -3.655 1.303 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.351 -3.664 -1.529 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.933 -4.473 -0.892 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.455 -2.093 0.677 1.00 0.61 H new ATOM 0 HG22 ILE A 3 7.927 -3.237 1.956 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.489 -3.487 0.286 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.395 -2.158 -1.562 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.199 -2.358 0.195 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.640 -1.537 -0.452 1.00 0.72 H new ATOM 56 N PHE A 4 4.949 -6.440 2.263 1.00 0.37 N ATOM 57 CA PHE A 4 3.847 -7.322 2.494 1.00 0.38 C ATOM 58 C PHE A 4 2.571 -6.574 2.674 1.00 0.39 C ATOM 59 O PHE A 4 2.125 -6.178 3.749 1.00 0.60 O ATOM 60 CB PHE A 4 3.961 -8.090 3.822 1.00 0.45 C ATOM 61 CG PHE A 4 5.202 -8.911 3.904 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.696 -9.799 2.979 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.968 -8.712 5.028 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.936 -10.372 3.137 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.149 -9.363 5.292 1.00 1.40 C ATOM 66 CZ PHE A 4 7.588 -10.254 4.342 1.00 0.85 C ATOM 0 H PHE A 4 5.312 -5.987 3.102 1.00 0.37 H new ATOM 0 HA PHE A 4 3.859 -7.978 1.623 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.943 -7.381 4.650 1.00 0.45 H new ATOM 0 HB3 PHE A 4 3.092 -8.738 3.938 1.00 0.45 H new ATOM 0 HD1 PHE A 4 5.101 -10.051 2.114 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.617 -7.994 5.754 1.00 1.30 H new ATOM 0 HE1 PHE A 4 7.394 -10.911 2.321 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.705 -9.183 6.201 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.454 -10.868 4.544 1.00 0.85 H new ATOM 76 N VAL A 5 1.756 -6.278 1.645 1.00 0.35 N ATOM 77 CA VAL A 5 0.491 -5.617 1.719 1.00 0.35 C ATOM 78 C VAL A 5 -0.600 -6.486 2.242 1.00 0.35 C ATOM 79 O VAL A 5 -1.086 -7.355 1.519 1.00 0.46 O ATOM 80 CB VAL A 5 0.194 -4.976 0.396 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.127 -4.198 0.525 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.308 -3.981 0.032 1.00 0.56 C ATOM 0 H VAL A 5 2.004 -6.521 0.686 1.00 0.35 H new ATOM 0 HA VAL A 5 0.549 -4.825 2.465 1.00 0.35 H new ATOM 0 HB VAL A 5 0.126 -5.743 -0.375 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.364 -3.722 -0.427 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -1.929 -4.885 0.797 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.026 -3.435 1.297 1.00 0.58 H new ATOM 0 HG21 VAL A 5 1.084 -3.520 -0.930 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.371 -3.209 0.798 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.260 -4.508 -0.031 1.00 0.56 H new ATOM 92 N LYS A 6 -0.973 -6.372 3.529 1.00 0.36 N ATOM 93 CA LYS A 6 -2.029 -7.137 4.115 1.00 0.39 C ATOM 94 C LYS A 6 -3.303 -6.362 4.109 1.00 0.46 C ATOM 95 O LYS A 6 -3.320 -5.192 4.488 1.00 0.53 O ATOM 96 CB LYS A 6 -1.794 -7.598 5.564 1.00 0.54 C ATOM 97 CG LYS A 6 -0.664 -8.628 5.499 1.00 1.22 C ATOM 98 CD LYS A 6 -0.022 -8.929 6.854 1.00 1.37 C ATOM 99 CE LYS A 6 -0.864 -9.731 7.849 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.134 -10.033 9.100 1.00 2.09 N ATOM 0 H LYS A 6 -0.526 -5.728 4.182 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.073 -8.030 3.491 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.520 -6.757 6.202 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.698 -8.037 5.986 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.054 -9.555 5.079 1.00 1.22 H new ATOM 0 HG3 LYS A 6 0.105 -8.267 4.816 1.00 1.22 H new ATOM 0 HD2 LYS A 6 0.906 -9.472 6.678 1.00 1.37 H new ATOM 0 HD3 LYS A 6 0.247 -7.982 7.321 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -1.769 -9.172 8.087 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -1.179 -10.664 7.383 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -0.749 -10.577 9.738 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 0.716 -10.590 8.880 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 0.145 -9.144 9.562 1.00 2.09 H new ATOM 114 N THR A 7 -4.410 -7.016 3.715 1.00 0.58 N ATOM 115 CA THR A 7 -5.781 -6.611 3.690 1.00 0.78 C ATOM 116 C THR A 7 -6.538 -6.782 4.961 1.00 0.94 C ATOM 117 O THR A 7 -6.034 -7.177 6.011 1.00 0.99 O ATOM 118 CB THR A 7 -6.619 -7.247 2.621 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.803 -8.646 2.784 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.826 -7.167 1.307 1.00 0.92 C ATOM 0 H THR A 7 -4.323 -7.969 3.363 1.00 0.58 H new ATOM 0 HA THR A 7 -5.641 -5.549 3.486 1.00 0.78 H new ATOM 0 HB THR A 7 -7.578 -6.731 2.649 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.359 -8.990 2.054 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.406 -7.621 0.504 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.627 -6.123 1.065 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.882 -7.700 1.419 1.00 0.92 H new ATOM 128 N LEU A 8 -7.840 -6.450 5.021 1.00 1.17 N ATOM 129 CA LEU A 8 -8.653 -6.761 6.156 1.00 1.39 C ATOM 130 C LEU A 8 -9.147 -8.164 6.251 1.00 1.44 C ATOM 131 O LEU A 8 -9.289 -8.756 7.319 1.00 1.60 O ATOM 132 CB LEU A 8 -9.791 -5.738 6.309 1.00 1.66 C ATOM 133 CG LEU A 8 -10.705 -5.998 7.518 1.00 2.11 C ATOM 134 CD1 LEU A 8 -9.955 -5.790 8.845 1.00 2.53 C ATOM 135 CD2 LEU A 8 -11.924 -5.064 7.590 1.00 2.43 C ATOM 0 H LEU A 8 -8.334 -5.961 4.275 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.975 -6.682 7.006 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -9.360 -4.741 6.400 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -10.395 -5.743 5.402 1.00 1.66 H new ATOM 0 HG LEU A 8 -11.032 -7.029 7.379 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.630 -5.982 9.679 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -9.110 -6.477 8.897 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -9.592 -4.764 8.901 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -12.519 -5.310 8.469 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -11.586 -4.030 7.658 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -12.532 -5.189 6.694 1.00 2.43 H new ATOM 147 N THR A 9 -9.270 -8.807 5.076 1.00 1.41 N ATOM 148 CA THR A 9 -9.750 -10.153 5.016 1.00 1.51 C ATOM 149 C THR A 9 -8.743 -11.182 5.402 1.00 1.37 C ATOM 150 O THR A 9 -8.979 -12.272 5.921 1.00 1.62 O ATOM 151 CB THR A 9 -10.339 -10.565 3.700 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.461 -10.666 2.588 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.518 -9.623 3.401 1.00 2.08 C ATOM 0 H THR A 9 -9.038 -8.397 4.171 1.00 1.41 H new ATOM 0 HA THR A 9 -10.547 -10.122 5.759 1.00 1.51 H new ATOM 0 HB THR A 9 -10.650 -11.602 3.827 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.967 -10.943 1.796 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.970 -9.897 2.448 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.262 -9.709 4.193 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.159 -8.595 3.350 1.00 2.08 H new ATOM 161 N GLY A 10 -7.479 -10.877 5.059 1.00 1.18 N ATOM 162 CA GLY A 10 -6.410 -11.728 5.480 1.00 1.22 C ATOM 163 C GLY A 10 -5.450 -11.987 4.370 1.00 0.99 C ATOM 164 O GLY A 10 -4.503 -12.757 4.511 1.00 1.31 O ATOM 0 H GLY A 10 -7.201 -10.066 4.506 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.885 -11.268 6.317 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.816 -12.673 5.840 1.00 1.22 H new ATOM 168 N LYS A 11 -5.633 -11.360 3.194 1.00 0.73 N ATOM 169 CA LYS A 11 -4.836 -11.576 2.026 1.00 0.60 C ATOM 170 C LYS A 11 -3.575 -10.783 2.070 1.00 0.51 C ATOM 171 O LYS A 11 -3.568 -9.566 2.251 1.00 0.63 O ATOM 172 CB LYS A 11 -5.642 -11.213 0.768 1.00 0.75 C ATOM 173 CG LYS A 11 -4.859 -11.683 -0.459 1.00 0.87 C ATOM 174 CD LYS A 11 -5.622 -11.569 -1.780 1.00 1.04 C ATOM 175 CE LYS A 11 -4.825 -12.026 -3.004 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.584 -11.970 -4.273 1.00 1.40 N ATOM 0 H LYS A 11 -6.371 -10.670 3.051 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.566 -12.632 1.994 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.623 -11.687 0.796 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.809 -10.137 0.722 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.940 -11.101 -0.533 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.566 -12.723 -0.311 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.535 -12.161 -1.712 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.925 -10.532 -1.924 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.935 -11.404 -3.098 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.484 -13.048 -2.842 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -4.921 -11.942 -5.073 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.188 -12.813 -4.354 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.177 -11.116 -4.285 1.00 1.40 H new ATOM 190 N THR A 12 -2.396 -11.422 1.975 1.00 0.49 N ATOM 191 CA THR A 12 -1.118 -10.805 1.800 1.00 0.48 C ATOM 192 C THR A 12 -0.642 -10.822 0.388 1.00 0.52 C ATOM 193 O THR A 12 -0.272 -11.875 -0.126 1.00 0.72 O ATOM 194 CB THR A 12 -0.009 -11.416 2.603 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.274 -11.606 3.985 1.00 0.77 O ATOM 196 CG2 THR A 12 1.258 -10.546 2.558 1.00 0.78 C ATOM 0 H THR A 12 -2.332 -12.439 2.024 1.00 0.49 H new ATOM 0 HA THR A 12 -1.315 -9.790 2.146 1.00 0.48 H new ATOM 0 HB THR A 12 0.110 -12.390 2.129 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.508 -12.010 4.416 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.043 -11.016 3.150 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.593 -10.444 1.526 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.037 -9.560 2.967 1.00 0.78 H new ATOM 204 N ILE A 13 -0.543 -9.668 -0.296 1.00 0.48 N ATOM 205 CA ILE A 13 0.066 -9.526 -1.582 1.00 0.55 C ATOM 206 C ILE A 13 1.478 -9.112 -1.341 1.00 0.51 C ATOM 207 O ILE A 13 1.701 -8.051 -0.760 1.00 0.56 O ATOM 208 CB ILE A 13 -0.614 -8.537 -2.481 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.769 -7.770 -1.813 1.00 1.15 C ATOM 210 CG2 ILE A 13 -1.021 -9.280 -3.765 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.316 -6.602 -2.631 1.00 1.55 C ATOM 0 H ILE A 13 -0.907 -8.788 0.068 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.011 -10.478 -2.107 1.00 0.55 H new ATOM 0 HB ILE A 13 0.084 -7.737 -2.728 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.582 -8.468 -1.612 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -1.427 -7.393 -0.849 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.520 -8.588 -4.443 1.00 1.13 H new ATOM 0 HG22 ILE A 13 -0.132 -9.685 -4.249 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -1.700 -10.095 -3.514 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.126 -6.121 -2.082 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -1.520 -5.879 -2.810 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.693 -6.971 -3.585 1.00 1.55 H new ATOM 223 N THR A 14 2.491 -9.901 -1.737 1.00 0.55 N ATOM 224 CA THR A 14 3.850 -9.536 -1.483 1.00 0.54 C ATOM 225 C THR A 14 4.370 -8.935 -2.745 1.00 0.55 C ATOM 226 O THR A 14 4.768 -9.625 -3.682 1.00 0.72 O ATOM 227 CB THR A 14 4.745 -10.670 -1.079 1.00 0.67 C ATOM 228 OG1 THR A 14 4.282 -11.422 0.032 1.00 1.08 O ATOM 229 CG2 THR A 14 6.122 -10.080 -0.729 1.00 1.03 C ATOM 0 H THR A 14 2.372 -10.786 -2.230 1.00 0.55 H new ATOM 0 HA THR A 14 3.856 -8.852 -0.634 1.00 0.54 H new ATOM 0 HB THR A 14 4.777 -11.362 -1.920 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.919 -12.140 0.229 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.797 -10.883 -0.431 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.530 -9.568 -1.600 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.016 -9.371 0.092 1.00 1.03 H new ATOM 237 N LEU A 15 4.362 -7.591 -2.792 1.00 0.50 N ATOM 238 CA LEU A 15 4.747 -6.778 -3.903 1.00 0.55 C ATOM 239 C LEU A 15 6.230 -6.713 -4.038 1.00 0.52 C ATOM 240 O LEU A 15 6.939 -6.435 -3.073 1.00 0.58 O ATOM 241 CB LEU A 15 4.159 -5.357 -3.879 1.00 0.69 C ATOM 242 CG LEU A 15 2.643 -5.216 -3.663 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.305 -3.746 -3.364 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.787 -5.671 -4.857 1.00 1.55 C ATOM 0 H LEU A 15 4.064 -7.032 -1.993 1.00 0.50 H new ATOM 0 HA LEU A 15 4.321 -7.273 -4.775 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.664 -4.798 -3.091 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.410 -4.874 -4.823 1.00 0.69 H new ATOM 0 HG LEU A 15 2.401 -5.873 -2.828 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.231 -3.644 -3.211 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.832 -3.427 -2.465 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.612 -3.124 -4.205 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.732 -5.538 -4.620 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.040 -5.075 -5.734 1.00 1.55 H new ATOM 0 HD23 LEU A 15 1.982 -6.723 -5.065 1.00 1.55 H new ATOM 256 N GLU A 16 6.838 -7.028 -5.196 1.00 0.59 N ATOM 257 CA GLU A 16 8.211 -6.710 -5.438 1.00 0.63 C ATOM 258 C GLU A 16 8.424 -5.299 -5.867 1.00 0.65 C ATOM 259 O GLU A 16 8.146 -4.923 -7.005 1.00 0.81 O ATOM 260 CB GLU A 16 8.757 -7.736 -6.446 1.00 0.76 C ATOM 261 CG GLU A 16 10.230 -7.615 -6.842 1.00 1.41 C ATOM 262 CD GLU A 16 11.243 -8.012 -5.779 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.192 -9.134 -5.209 1.00 1.95 O ATOM 264 OE2 GLU A 16 12.129 -7.156 -5.515 1.00 1.92 O ATOM 0 H GLU A 16 6.375 -7.506 -5.969 1.00 0.59 H new ATOM 0 HA GLU A 16 8.769 -6.780 -4.504 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.600 -8.732 -6.032 1.00 0.76 H new ATOM 0 HB3 GLU A 16 8.157 -7.669 -7.354 1.00 0.76 H new ATOM 0 HG2 GLU A 16 10.400 -8.231 -7.725 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.424 -6.582 -7.132 1.00 1.41 H new ATOM 271 N VAL A 17 8.920 -4.461 -4.940 1.00 0.61 N ATOM 272 CA VAL A 17 9.182 -3.075 -5.174 1.00 0.63 C ATOM 273 C VAL A 17 10.644 -2.788 -5.188 1.00 0.65 C ATOM 274 O VAL A 17 11.455 -3.565 -4.685 1.00 0.76 O ATOM 275 CB VAL A 17 8.537 -2.186 -4.152 1.00 0.70 C ATOM 276 CG1 VAL A 17 7.045 -2.548 -4.074 1.00 0.96 C ATOM 277 CG2 VAL A 17 9.112 -2.363 -2.737 1.00 0.92 C ATOM 0 H VAL A 17 9.147 -4.760 -3.992 1.00 0.61 H new ATOM 0 HA VAL A 17 8.751 -2.859 -6.152 1.00 0.63 H new ATOM 0 HB VAL A 17 8.719 -1.159 -4.468 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.555 -1.913 -3.336 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.582 -2.395 -5.049 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.939 -3.593 -3.782 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.600 -1.690 -2.049 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.967 -3.393 -2.412 1.00 0.92 H new ATOM 0 HG23 VAL A 17 10.177 -2.132 -2.745 1.00 0.92 H new ATOM 287 N GLU A 18 10.976 -1.544 -5.576 1.00 0.68 N ATOM 288 CA GLU A 18 12.234 -0.967 -5.218 1.00 0.74 C ATOM 289 C GLU A 18 11.951 0.305 -4.496 1.00 0.71 C ATOM 290 O GLU A 18 10.777 0.672 -4.479 1.00 0.74 O ATOM 291 CB GLU A 18 12.972 -0.774 -6.553 1.00 0.88 C ATOM 292 CG GLU A 18 13.422 -2.104 -7.157 1.00 1.16 C ATOM 293 CD GLU A 18 14.559 -2.831 -6.454 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.150 -2.268 -5.493 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.838 -4.014 -6.785 1.00 2.35 O ATOM 0 H GLU A 18 10.375 -0.939 -6.136 1.00 0.68 H new ATOM 0 HA GLU A 18 12.852 -1.570 -4.553 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.319 -0.259 -7.257 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.841 -0.134 -6.398 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.561 -2.771 -7.188 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.722 -1.923 -8.189 1.00 1.16 H new ATOM 302 N PRO A 19 12.848 0.997 -3.859 1.00 0.74 N ATOM 303 CA PRO A 19 12.469 2.063 -2.978 1.00 0.74 C ATOM 304 C PRO A 19 12.115 3.314 -3.707 1.00 0.70 C ATOM 305 O PRO A 19 11.419 4.161 -3.149 1.00 0.74 O ATOM 306 CB PRO A 19 13.718 2.427 -2.179 1.00 0.86 C ATOM 307 CG PRO A 19 14.522 1.117 -2.204 1.00 0.95 C ATOM 308 CD PRO A 19 14.239 0.632 -3.635 1.00 0.82 C ATOM 0 HA PRO A 19 11.615 1.725 -2.391 1.00 0.74 H new ATOM 0 HB2 PRO A 19 14.268 3.249 -2.637 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.474 2.734 -1.162 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.585 1.281 -2.026 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.179 0.407 -1.452 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.899 1.112 -4.357 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.390 -0.443 -3.730 1.00 0.82 H new ATOM 316 N SER A 20 12.515 3.373 -4.990 1.00 0.70 N ATOM 317 CA SER A 20 12.192 4.421 -5.907 1.00 0.74 C ATOM 318 C SER A 20 10.743 4.504 -6.242 1.00 0.71 C ATOM 319 O SER A 20 10.384 5.577 -6.726 1.00 0.80 O ATOM 320 CB SER A 20 13.023 4.425 -7.202 1.00 0.89 C ATOM 321 OG SER A 20 13.455 3.123 -7.568 1.00 1.45 O ATOM 0 H SER A 20 13.097 2.648 -5.410 1.00 0.70 H new ATOM 0 HA SER A 20 12.466 5.314 -5.345 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.429 4.849 -8.011 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.892 5.071 -7.072 1.00 0.89 H new ATOM 0 HG SER A 20 13.977 3.172 -8.396 1.00 1.45 H new ATOM 327 N ASP A 21 9.942 3.445 -6.024 1.00 0.70 N ATOM 328 CA ASP A 21 8.568 3.416 -6.419 1.00 0.73 C ATOM 329 C ASP A 21 7.701 4.289 -5.580 1.00 0.64 C ATOM 330 O ASP A 21 7.888 4.445 -4.375 1.00 0.66 O ATOM 331 CB ASP A 21 8.120 1.962 -6.191 1.00 0.87 C ATOM 332 CG ASP A 21 8.544 1.056 -7.338 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.368 1.499 -8.182 1.00 1.69 O ATOM 334 OD2 ASP A 21 7.971 -0.053 -7.510 1.00 1.50 O ATOM 0 H ASP A 21 10.256 2.591 -5.563 1.00 0.70 H new ATOM 0 HA ASP A 21 8.477 3.768 -7.447 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.546 1.592 -5.258 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.036 1.928 -6.082 1.00 0.87 H new ATOM 339 N THR A 22 6.687 4.936 -6.184 1.00 0.63 N ATOM 340 CA THR A 22 5.831 5.757 -5.385 1.00 0.58 C ATOM 341 C THR A 22 4.700 5.008 -4.770 1.00 0.53 C ATOM 342 O THR A 22 4.388 3.858 -5.076 1.00 0.58 O ATOM 343 CB THR A 22 5.145 6.833 -6.176 1.00 0.63 C ATOM 344 OG1 THR A 22 4.539 6.531 -7.423 1.00 0.70 O ATOM 345 CG2 THR A 22 6.248 7.865 -6.467 1.00 0.75 C ATOM 0 H THR A 22 6.466 4.896 -7.179 1.00 0.63 H new ATOM 0 HA THR A 22 6.517 6.157 -4.638 1.00 0.58 H new ATOM 0 HB THR A 22 4.295 7.127 -5.560 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.282 7.363 -7.872 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.831 8.690 -7.045 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.647 8.246 -5.527 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.048 7.392 -7.036 1.00 0.75 H new ATOM 353 N ILE A 23 4.027 5.666 -3.809 1.00 0.51 N ATOM 354 CA ILE A 23 2.833 5.109 -3.253 1.00 0.48 C ATOM 355 C ILE A 23 1.750 4.992 -4.270 1.00 0.48 C ATOM 356 O ILE A 23 0.984 4.031 -4.320 1.00 0.51 O ATOM 357 CB ILE A 23 2.379 5.998 -2.134 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.466 5.960 -1.047 1.00 0.60 C ATOM 359 CG2 ILE A 23 1.061 5.577 -1.462 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.639 4.551 -0.483 1.00 0.73 C ATOM 0 H ILE A 23 4.303 6.568 -3.422 1.00 0.51 H new ATOM 0 HA ILE A 23 3.049 4.104 -2.892 1.00 0.48 H new ATOM 0 HB ILE A 23 2.210 6.981 -2.573 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.412 6.306 -1.464 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.202 6.646 -0.242 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.817 6.281 -0.666 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.260 5.574 -2.202 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.170 4.578 -1.041 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.415 4.558 0.283 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.699 4.217 -0.044 1.00 0.73 H new ATOM 0 HD13 ILE A 23 3.927 3.871 -1.285 1.00 0.73 H new ATOM 372 N GLU A 24 1.570 5.925 -5.222 1.00 0.50 N ATOM 373 CA GLU A 24 0.810 5.792 -6.425 1.00 0.53 C ATOM 374 C GLU A 24 1.166 4.613 -7.264 1.00 0.50 C ATOM 375 O GLU A 24 0.292 3.902 -7.756 1.00 0.55 O ATOM 376 CB GLU A 24 1.104 7.040 -7.275 1.00 0.64 C ATOM 377 CG GLU A 24 0.283 6.975 -8.564 1.00 0.95 C ATOM 378 CD GLU A 24 0.528 8.214 -9.413 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.686 8.356 -9.889 1.00 1.62 O ATOM 380 OE2 GLU A 24 -0.415 9.029 -9.595 1.00 1.56 O ATOM 0 H GLU A 24 1.993 6.850 -5.141 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.232 5.669 -6.128 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.855 7.942 -6.716 1.00 0.64 H new ATOM 0 HB3 GLU A 24 2.167 7.093 -7.509 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.550 6.081 -9.128 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.777 6.895 -8.324 1.00 0.95 H new ATOM 387 N ASN A 25 2.453 4.272 -7.458 1.00 0.51 N ATOM 388 CA ASN A 25 2.849 3.169 -8.276 1.00 0.52 C ATOM 389 C ASN A 25 2.554 1.862 -7.622 1.00 0.47 C ATOM 390 O ASN A 25 2.097 0.904 -8.241 1.00 0.53 O ATOM 391 CB ASN A 25 4.319 3.314 -8.702 1.00 0.64 C ATOM 392 CG ASN A 25 4.759 2.394 -9.831 1.00 1.23 C ATOM 393 OD1 ASN A 25 4.618 1.179 -9.696 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.373 2.973 -10.897 1.00 1.57 N ATOM 0 H ASN A 25 3.235 4.774 -7.037 1.00 0.51 H new ATOM 0 HA ASN A 25 2.251 3.182 -9.187 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.492 4.346 -9.007 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.952 3.127 -7.835 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.750 2.392 -11.646 1.00 1.57 H new ATOM 0 HD22 ASN A 25 5.457 3.988 -10.948 1.00 1.57 H new ATOM 401 N VAL A 26 2.637 1.793 -6.281 1.00 0.45 N ATOM 402 CA VAL A 26 2.227 0.674 -5.490 1.00 0.44 C ATOM 403 C VAL A 26 0.763 0.449 -5.649 1.00 0.40 C ATOM 404 O VAL A 26 0.319 -0.665 -5.921 1.00 0.44 O ATOM 405 CB VAL A 26 2.536 0.885 -4.037 1.00 0.50 C ATOM 406 CG1 VAL A 26 1.932 -0.130 -3.052 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.050 1.011 -3.799 1.00 0.62 C ATOM 0 H VAL A 26 3.010 2.558 -5.719 1.00 0.45 H new ATOM 0 HA VAL A 26 2.781 -0.198 -5.839 1.00 0.44 H new ATOM 0 HB VAL A 26 2.032 1.824 -3.811 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.227 0.130 -2.035 1.00 0.60 H new ATOM 0 HG12 VAL A 26 0.845 -0.111 -3.131 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.295 -1.129 -3.291 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.240 1.163 -2.736 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.547 0.099 -4.130 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.437 1.860 -4.362 1.00 0.62 H new ATOM 417 N LYS A 27 -0.054 1.505 -5.484 1.00 0.40 N ATOM 418 CA LYS A 27 -1.480 1.466 -5.584 1.00 0.41 C ATOM 419 C LYS A 27 -1.914 1.173 -6.980 1.00 0.38 C ATOM 420 O LYS A 27 -3.046 0.726 -7.160 1.00 0.42 O ATOM 421 CB LYS A 27 -2.238 2.702 -5.072 1.00 0.51 C ATOM 422 CG LYS A 27 -2.091 2.813 -3.554 1.00 0.76 C ATOM 423 CD LYS A 27 -2.857 3.992 -2.948 1.00 0.82 C ATOM 424 CE LYS A 27 -2.510 5.359 -3.541 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.182 6.436 -2.779 1.00 1.11 N ATOM 0 H LYS A 27 0.301 2.437 -5.269 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.751 0.658 -4.905 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.849 3.601 -5.550 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.292 2.629 -5.339 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.441 1.889 -3.095 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.034 2.911 -3.306 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.925 3.817 -3.077 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -2.665 4.018 -1.875 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -1.431 5.509 -3.520 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.817 5.398 -4.586 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -2.751 7.352 -3.018 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.193 6.455 -3.023 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.075 6.259 -1.760 1.00 1.11 H new ATOM 439 N ALA A 28 -1.024 1.368 -7.968 1.00 0.39 N ATOM 440 CA ALA A 28 -1.252 0.924 -9.309 1.00 0.39 C ATOM 441 C ALA A 28 -0.952 -0.521 -9.510 1.00 0.36 C ATOM 442 O ALA A 28 -1.720 -1.228 -10.161 1.00 0.42 O ATOM 443 CB ALA A 28 -0.448 1.763 -10.318 1.00 0.51 C ATOM 0 H ALA A 28 -0.131 1.842 -7.835 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.319 1.063 -9.486 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.642 1.402 -11.328 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.748 2.808 -10.243 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.616 1.674 -10.099 1.00 0.51 H new ATOM 449 N LYS A 29 0.068 -1.097 -8.850 1.00 0.39 N ATOM 450 CA LYS A 29 0.356 -2.497 -8.811 1.00 0.43 C ATOM 451 C LYS A 29 -0.779 -3.196 -8.144 1.00 0.44 C ATOM 452 O LYS A 29 -1.212 -4.201 -8.706 1.00 0.54 O ATOM 453 CB LYS A 29 1.581 -2.691 -7.901 1.00 0.54 C ATOM 454 CG LYS A 29 2.913 -2.297 -8.541 1.00 0.65 C ATOM 455 CD LYS A 29 4.187 -2.552 -7.733 1.00 1.08 C ATOM 456 CE LYS A 29 5.476 -2.429 -8.547 1.00 1.24 C ATOM 457 NZ LYS A 29 5.945 -1.080 -8.932 1.00 1.44 N ATOM 0 H LYS A 29 0.735 -0.548 -8.308 1.00 0.39 H new ATOM 0 HA LYS A 29 0.522 -2.879 -9.818 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.440 -2.104 -6.993 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.632 -3.737 -7.599 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.002 -2.830 -9.487 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.871 -1.234 -8.777 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.225 -1.847 -6.903 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.137 -3.551 -7.301 1.00 1.08 H new ATOM 0 HE2 LYS A 29 6.274 -2.907 -7.978 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.346 -3.008 -9.462 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.563 -1.152 -9.766 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.127 -0.479 -9.158 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 6.476 -0.659 -8.143 1.00 1.44 H new ATOM 471 N ILE A 30 -1.272 -2.850 -6.942 1.00 0.41 N ATOM 472 CA ILE A 30 -2.434 -3.503 -6.422 1.00 0.44 C ATOM 473 C ILE A 30 -3.651 -3.522 -7.280 1.00 0.45 C ATOM 474 O ILE A 30 -4.454 -4.449 -7.389 1.00 0.56 O ATOM 475 CB ILE A 30 -2.718 -2.964 -5.051 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.474 -3.125 -4.162 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.928 -3.609 -4.354 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.458 -2.191 -2.952 1.00 1.32 C ATOM 0 H ILE A 30 -0.875 -2.130 -6.338 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.178 -4.562 -6.388 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.970 -1.913 -5.191 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.418 -4.157 -3.814 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.583 -2.942 -4.763 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.062 -3.161 -3.369 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.824 -3.443 -4.953 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.757 -4.680 -4.246 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.551 -2.362 -2.372 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.482 -1.155 -3.291 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.330 -2.389 -2.328 1.00 1.32 H new ATOM 490 N GLN A 31 -3.815 -2.446 -8.070 1.00 0.41 N ATOM 491 CA GLN A 31 -4.844 -2.338 -9.057 1.00 0.48 C ATOM 492 C GLN A 31 -4.661 -3.209 -10.252 1.00 0.52 C ATOM 493 O GLN A 31 -5.600 -3.829 -10.749 1.00 0.66 O ATOM 494 CB GLN A 31 -4.885 -0.910 -9.628 1.00 0.52 C ATOM 495 CG GLN A 31 -6.127 -0.514 -10.428 1.00 0.70 C ATOM 496 CD GLN A 31 -6.067 0.894 -11.004 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.041 1.555 -10.852 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.113 1.444 -11.677 1.00 1.43 N ATOM 0 H GLN A 31 -3.212 -1.625 -8.020 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.747 -2.635 -8.523 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.780 -0.211 -8.798 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.013 -0.777 -10.269 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.263 -1.224 -11.244 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.003 -0.596 -9.784 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.971 0.909 -11.812 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.040 2.392 -12.047 1.00 1.43 H new ATOM 507 N ASP A 32 -3.439 -3.374 -10.788 1.00 0.50 N ATOM 508 CA ASP A 32 -3.054 -4.331 -11.779 1.00 0.60 C ATOM 509 C ASP A 32 -3.395 -5.682 -11.251 1.00 0.65 C ATOM 510 O ASP A 32 -4.205 -6.388 -11.851 1.00 0.81 O ATOM 511 CB ASP A 32 -1.567 -4.080 -12.079 1.00 0.67 C ATOM 512 CG ASP A 32 -1.132 -4.941 -13.256 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.811 -4.932 -14.319 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.077 -5.614 -13.106 1.00 1.51 O ATOM 0 H ASP A 32 -2.655 -2.787 -10.503 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.578 -4.248 -12.731 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.404 -3.026 -12.306 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.964 -4.314 -11.202 1.00 0.67 H new ATOM 519 N LYS A 33 -2.860 -6.036 -10.068 1.00 0.62 N ATOM 520 CA LYS A 33 -2.980 -7.389 -9.621 1.00 0.73 C ATOM 521 C LYS A 33 -4.355 -7.782 -9.205 1.00 0.69 C ATOM 522 O LYS A 33 -4.909 -8.746 -9.732 1.00 0.83 O ATOM 523 CB LYS A 33 -2.065 -7.706 -8.425 1.00 0.85 C ATOM 524 CG LYS A 33 -0.549 -7.600 -8.607 1.00 1.31 C ATOM 525 CD LYS A 33 0.213 -7.915 -7.318 1.00 1.71 C ATOM 526 CE LYS A 33 1.679 -8.353 -7.342 1.00 2.26 C ATOM 527 NZ LYS A 33 1.735 -9.718 -7.915 1.00 2.62 N ATOM 0 H LYS A 33 -2.360 -5.408 -9.439 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.689 -7.955 -10.506 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.347 -7.041 -7.609 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.288 -8.722 -8.099 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.230 -8.286 -9.392 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.295 -6.594 -8.940 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.159 -7.024 -6.692 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.343 -8.699 -6.805 1.00 1.71 H new ATOM 0 HE2 LYS A 33 2.274 -7.663 -7.940 1.00 2.26 H new ATOM 0 HE3 LYS A 33 2.097 -8.344 -6.335 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.723 -10.042 -7.944 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.175 -10.366 -7.325 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.347 -9.706 -8.880 1.00 2.62 H new ATOM 541 N GLU A 34 -4.968 -7.066 -8.245 1.00 0.63 N ATOM 542 CA GLU A 34 -6.174 -7.379 -7.544 1.00 0.67 C ATOM 543 C GLU A 34 -7.364 -6.715 -8.150 1.00 0.69 C ATOM 544 O GLU A 34 -8.499 -7.126 -7.915 1.00 0.95 O ATOM 545 CB GLU A 34 -6.017 -6.827 -6.117 1.00 0.73 C ATOM 546 CG GLU A 34 -4.891 -7.567 -5.392 1.00 0.83 C ATOM 547 CD GLU A 34 -5.141 -9.068 -5.350 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.214 -9.438 -4.802 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.289 -9.855 -5.844 1.00 1.48 O ATOM 0 H GLU A 34 -4.577 -6.178 -7.930 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.330 -8.457 -7.577 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.798 -5.760 -6.153 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.952 -6.942 -5.568 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.944 -7.370 -5.893 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.799 -7.185 -4.375 1.00 0.83 H new ATOM 556 N GLY A 35 -7.181 -5.589 -8.862 1.00 0.63 N ATOM 557 CA GLY A 35 -8.255 -4.973 -9.577 1.00 0.68 C ATOM 558 C GLY A 35 -9.118 -4.102 -8.729 1.00 0.76 C ATOM 559 O GLY A 35 -10.336 -3.947 -8.808 1.00 1.12 O ATOM 0 H GLY A 35 -6.287 -5.104 -8.943 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.843 -4.378 -10.392 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.871 -5.750 -10.029 1.00 0.68 H new ATOM 563 N ILE A 36 -8.487 -3.385 -7.782 1.00 0.70 N ATOM 564 CA ILE A 36 -9.093 -2.506 -6.832 1.00 0.76 C ATOM 565 C ILE A 36 -8.748 -1.106 -7.205 1.00 0.71 C ATOM 566 O ILE A 36 -7.554 -0.841 -7.338 1.00 0.73 O ATOM 567 CB ILE A 36 -8.517 -2.869 -5.495 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.648 -4.361 -5.148 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.173 -2.014 -4.398 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.019 -4.831 -3.836 1.00 1.16 C ATOM 0 H ILE A 36 -7.474 -3.424 -7.674 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.179 -2.593 -6.807 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.448 -2.663 -5.552 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.709 -4.610 -5.122 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.205 -4.937 -5.960 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.752 -2.281 -3.429 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.985 -0.959 -4.598 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.248 -2.195 -4.389 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.185 -5.902 -3.716 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.948 -4.629 -3.853 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.475 -4.297 -3.002 1.00 1.16 H new ATOM 582 N PRO A 37 -9.641 -0.162 -7.255 1.00 0.75 N ATOM 583 CA PRO A 37 -9.379 1.201 -7.614 1.00 0.79 C ATOM 584 C PRO A 37 -8.575 2.084 -6.723 1.00 0.75 C ATOM 585 O PRO A 37 -8.628 1.841 -5.519 1.00 0.75 O ATOM 586 CB PRO A 37 -10.756 1.857 -7.699 1.00 0.95 C ATOM 587 CG PRO A 37 -11.758 0.708 -7.893 1.00 1.02 C ATOM 588 CD PRO A 37 -11.064 -0.449 -7.155 1.00 0.85 C ATOM 0 HA PRO A 37 -8.764 1.120 -8.510 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.977 2.420 -6.792 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.803 2.561 -8.530 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.733 0.940 -7.464 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.920 0.481 -8.947 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.384 -0.501 -6.114 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.306 -1.409 -7.611 1.00 0.85 H new ATOM 596 N PRO A 38 -7.738 2.972 -7.171 1.00 0.81 N ATOM 597 CA PRO A 38 -6.830 3.703 -6.336 1.00 0.85 C ATOM 598 C PRO A 38 -7.391 4.793 -5.489 1.00 0.89 C ATOM 599 O PRO A 38 -6.691 5.313 -4.621 1.00 0.99 O ATOM 600 CB PRO A 38 -5.764 4.209 -7.306 1.00 1.01 C ATOM 601 CG PRO A 38 -6.478 4.351 -8.660 1.00 1.25 C ATOM 602 CD PRO A 38 -7.362 3.098 -8.570 1.00 0.98 C ATOM 0 HA PRO A 38 -6.456 3.039 -5.557 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.354 5.164 -6.976 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.930 3.510 -7.373 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -7.054 5.273 -8.742 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -5.792 4.327 -9.507 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -8.244 3.196 -9.204 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.822 2.214 -8.910 1.00 0.98 H new ATOM 610 N ASP A 39 -8.671 5.160 -5.684 1.00 0.96 N ATOM 611 CA ASP A 39 -9.450 5.982 -4.811 1.00 1.11 C ATOM 612 C ASP A 39 -10.029 5.220 -3.668 1.00 1.00 C ATOM 613 O ASP A 39 -10.296 5.776 -2.603 1.00 1.14 O ATOM 614 CB ASP A 39 -10.505 6.718 -5.653 1.00 1.39 C ATOM 615 CG ASP A 39 -11.247 5.633 -6.419 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.741 5.208 -7.492 1.00 2.23 O ATOM 617 OD2 ASP A 39 -12.294 5.133 -5.929 1.00 2.25 O ATOM 0 H ASP A 39 -9.195 4.862 -6.507 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.805 6.721 -4.335 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -11.186 7.286 -5.019 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.037 7.428 -6.334 1.00 1.39 H new ATOM 622 N GLN A 40 -10.212 3.892 -3.763 1.00 0.87 N ATOM 623 CA GLN A 40 -10.785 2.990 -2.813 1.00 0.84 C ATOM 624 C GLN A 40 -9.761 2.510 -1.843 1.00 0.67 C ATOM 625 O GLN A 40 -9.933 2.352 -0.635 1.00 0.80 O ATOM 626 CB GLN A 40 -11.502 1.803 -3.480 1.00 0.95 C ATOM 627 CG GLN A 40 -12.267 1.007 -2.421 1.00 1.32 C ATOM 628 CD GLN A 40 -12.747 -0.316 -2.999 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.504 -1.443 -2.569 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.675 -0.134 -3.976 1.00 2.02 N ATOM 0 H GLN A 40 -9.923 3.395 -4.606 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.543 3.554 -2.269 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -12.189 2.163 -4.246 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -10.777 1.161 -3.979 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -11.625 0.824 -1.560 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -13.119 1.587 -2.066 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.870 0.804 -4.326 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.176 -0.936 -4.359 1.00 2.02 H new ATOM 639 N GLN A 41 -8.597 2.242 -2.462 1.00 0.56 N ATOM 640 CA GLN A 41 -7.455 1.766 -1.745 1.00 0.51 C ATOM 641 C GLN A 41 -6.849 2.797 -0.857 1.00 0.49 C ATOM 642 O GLN A 41 -6.561 3.928 -1.245 1.00 0.65 O ATOM 643 CB GLN A 41 -6.227 1.380 -2.587 1.00 0.67 C ATOM 644 CG GLN A 41 -6.406 0.158 -3.490 1.00 0.69 C ATOM 645 CD GLN A 41 -5.248 0.189 -4.477 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.097 0.156 -4.044 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.578 0.243 -5.795 1.00 0.61 N ATOM 0 H GLN A 41 -8.447 2.356 -3.464 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.905 0.909 -1.244 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.952 2.232 -3.208 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.391 1.193 -1.914 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.396 -0.763 -2.906 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.363 0.195 -4.011 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.559 0.268 -6.075 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.845 0.259 -6.504 1.00 0.61 H new ATOM 656 N ARG A 42 -6.539 2.371 0.381 1.00 0.47 N ATOM 657 CA ARG A 42 -5.858 3.178 1.346 1.00 0.55 C ATOM 658 C ARG A 42 -4.726 2.511 2.050 1.00 0.46 C ATOM 659 O ARG A 42 -4.880 1.472 2.690 1.00 0.52 O ATOM 660 CB ARG A 42 -6.854 3.623 2.429 1.00 0.73 C ATOM 661 CG ARG A 42 -6.250 4.348 3.634 1.00 1.04 C ATOM 662 CD ARG A 42 -7.338 4.703 4.649 1.00 1.28 C ATOM 663 NE ARG A 42 -8.012 5.920 4.113 1.00 1.69 N ATOM 664 CZ ARG A 42 -9.033 6.546 4.769 1.00 2.19 C ATOM 665 NH1 ARG A 42 -9.582 5.989 5.888 1.00 2.34 N ATOM 666 NH2 ARG A 42 -9.480 7.752 4.310 1.00 2.78 N ATOM 0 H ARG A 42 -6.769 1.437 0.721 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.441 4.005 0.771 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.594 4.278 1.968 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.387 2.743 2.789 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -5.497 3.716 4.106 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -5.744 5.255 3.303 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -8.047 3.883 4.766 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -6.908 4.895 5.632 1.00 1.28 H new ATOM 0 HE ARG A 42 -7.698 6.300 3.220 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -9.230 5.099 6.240 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -10.344 6.463 6.372 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -9.052 8.175 3.486 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.242 8.230 4.791 1.00 2.78 H new ATOM 680 N LEU A 43 -3.512 3.073 1.915 1.00 0.46 N ATOM 681 CA LEU A 43 -2.325 2.513 2.484 1.00 0.42 C ATOM 682 C LEU A 43 -1.956 3.207 3.750 1.00 0.43 C ATOM 683 O LEU A 43 -1.754 4.420 3.772 1.00 0.55 O ATOM 684 CB LEU A 43 -1.108 2.493 1.543 1.00 0.55 C ATOM 685 CG LEU A 43 -1.139 1.511 0.359 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.072 1.997 -0.636 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.044 0.020 0.722 1.00 1.12 C ATOM 0 H LEU A 43 -3.351 3.937 1.398 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.582 1.472 2.681 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.977 3.498 1.142 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.224 2.270 2.141 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.128 1.531 -0.098 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.051 1.333 -1.500 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.313 3.009 -0.962 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.905 1.994 -0.152 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.075 -0.579 -0.188 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.108 -0.168 1.248 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -1.882 -0.252 1.364 1.00 1.12 H new ATOM 699 N ILE A 44 -1.958 2.467 4.872 1.00 0.42 N ATOM 700 CA ILE A 44 -1.631 2.907 6.193 1.00 0.46 C ATOM 701 C ILE A 44 -0.339 2.277 6.584 1.00 0.42 C ATOM 702 O ILE A 44 -0.196 1.066 6.430 1.00 0.53 O ATOM 703 CB ILE A 44 -2.779 2.737 7.142 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.014 3.519 6.664 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.511 3.197 8.585 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.269 3.259 7.497 1.00 1.27 C ATOM 0 H ILE A 44 -2.209 1.479 4.852 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.469 3.984 6.229 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.939 1.659 7.149 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.789 4.585 6.687 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.218 3.258 5.625 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.402 3.032 9.191 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.679 2.627 9.000 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.261 4.258 8.588 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.098 3.845 7.099 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.521 2.199 7.454 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -5.085 3.547 8.532 1.00 1.27 H new ATOM 718 N PHE A 45 0.651 3.051 7.066 1.00 0.42 N ATOM 719 CA PHE A 45 1.861 2.505 7.597 1.00 0.46 C ATOM 720 C PHE A 45 2.083 3.466 8.713 1.00 0.68 C ATOM 721 O PHE A 45 1.927 4.675 8.545 1.00 1.50 O ATOM 722 CB PHE A 45 2.984 2.374 6.554 1.00 0.56 C ATOM 723 CG PHE A 45 4.332 1.965 7.037 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.690 0.648 7.202 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.216 2.983 7.306 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.985 0.350 7.553 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.477 2.673 7.758 1.00 1.33 C ATOM 728 CZ PHE A 45 6.892 1.362 7.766 1.00 1.02 C ATOM 0 H PHE A 45 0.610 4.070 7.087 1.00 0.42 H new ATOM 0 HA PHE A 45 1.825 1.467 7.928 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.663 1.651 5.804 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.086 3.334 6.048 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.965 -0.140 7.058 1.00 1.08 H new ATOM 0 HD2 PHE A 45 4.924 4.013 7.164 1.00 1.19 H new ATOM 0 HE1 PHE A 45 6.291 -0.680 7.662 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.137 3.454 8.105 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.932 1.127 7.940 1.00 1.02 H new ATOM 738 N ALA A 46 2.480 2.980 9.903 1.00 0.81 N ATOM 739 CA ALA A 46 2.828 3.733 11.068 1.00 0.96 C ATOM 740 C ALA A 46 1.789 4.650 11.619 1.00 0.97 C ATOM 741 O ALA A 46 2.027 5.638 12.310 1.00 1.21 O ATOM 742 CB ALA A 46 4.180 4.451 10.928 1.00 1.20 C ATOM 0 H ALA A 46 2.564 1.976 10.061 1.00 0.81 H new ATOM 0 HA ALA A 46 2.913 2.951 11.823 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.393 5.007 11.841 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.967 3.716 10.759 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.140 5.140 10.085 1.00 1.20 H new ATOM 748 N GLY A 47 0.525 4.216 11.476 1.00 0.99 N ATOM 749 CA GLY A 47 -0.504 5.127 11.872 1.00 1.10 C ATOM 750 C GLY A 47 -0.716 6.288 10.963 1.00 1.03 C ATOM 751 O GLY A 47 -1.383 7.248 11.347 1.00 1.30 O ATOM 0 H GLY A 47 0.228 3.309 11.116 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.441 4.576 11.954 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.268 5.505 12.867 1.00 1.10 H new ATOM 755 N LYS A 48 -0.090 6.313 9.773 1.00 0.98 N ATOM 756 CA LYS A 48 -0.155 7.401 8.847 1.00 1.05 C ATOM 757 C LYS A 48 -0.704 6.923 7.547 1.00 0.84 C ATOM 758 O LYS A 48 -0.400 5.861 7.007 1.00 0.81 O ATOM 759 CB LYS A 48 1.312 7.808 8.631 1.00 1.42 C ATOM 760 CG LYS A 48 1.430 9.054 7.751 1.00 1.61 C ATOM 761 CD LYS A 48 2.404 10.064 8.361 1.00 1.87 C ATOM 762 CE LYS A 48 3.838 9.532 8.350 1.00 2.22 C ATOM 763 NZ LYS A 48 4.817 10.594 8.676 1.00 2.55 N ATOM 0 H LYS A 48 0.487 5.540 9.441 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.783 8.214 9.211 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.783 7.998 9.596 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.854 6.983 8.169 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.771 8.770 6.755 1.00 1.61 H new ATOM 0 HG3 LYS A 48 0.449 9.515 7.633 1.00 1.61 H new ATOM 0 HD2 LYS A 48 2.357 11.000 7.804 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.105 10.288 9.385 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.930 8.718 9.069 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.065 9.116 7.368 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.778 10.197 8.659 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 4.746 11.359 7.975 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 4.615 10.973 9.623 1.00 2.55 H new ATOM 777 N GLN A 49 -1.593 7.755 6.976 1.00 0.84 N ATOM 778 CA GLN A 49 -2.283 7.594 5.733 1.00 0.80 C ATOM 779 C GLN A 49 -1.343 8.229 4.768 1.00 0.72 C ATOM 780 O GLN A 49 -0.871 9.363 4.825 1.00 0.83 O ATOM 781 CB GLN A 49 -3.649 8.298 5.788 1.00 1.03 C ATOM 782 CG GLN A 49 -4.745 7.423 6.401 1.00 1.67 C ATOM 783 CD GLN A 49 -6.124 7.966 6.747 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.796 7.692 7.741 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.694 8.782 5.820 1.00 2.48 N ATOM 0 H GLN A 49 -1.853 8.629 7.433 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.516 6.563 5.468 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.556 9.216 6.369 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.944 8.588 4.779 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.900 6.591 5.715 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.334 7.006 7.320 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -6.177 9.038 4.979 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.639 9.138 5.966 1.00 2.48 H new ATOM 794 N LEU A 50 -0.853 7.416 3.815 1.00 0.69 N ATOM 795 CA LEU A 50 0.203 7.859 2.959 1.00 0.66 C ATOM 796 C LEU A 50 -0.294 8.582 1.755 1.00 0.72 C ATOM 797 O LEU A 50 -1.395 8.391 1.241 1.00 0.90 O ATOM 798 CB LEU A 50 1.088 6.679 2.523 1.00 0.65 C ATOM 799 CG LEU A 50 1.474 5.718 3.660 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.041 4.414 3.071 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.435 6.280 4.721 1.00 0.74 C ATOM 0 H LEU A 50 -1.182 6.467 3.639 1.00 0.69 H new ATOM 0 HA LEU A 50 0.794 8.563 3.545 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.566 6.116 1.750 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.999 7.072 2.071 1.00 0.65 H new ATOM 0 HG LEU A 50 0.545 5.539 4.201 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.313 3.737 3.881 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.288 3.942 2.441 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.925 4.639 2.474 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.636 5.515 5.471 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.370 6.576 4.245 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.981 7.148 5.200 1.00 0.74 H new ATOM 813 N GLU A 51 0.499 9.503 1.180 1.00 0.70 N ATOM 814 CA GLU A 51 0.184 10.279 0.022 1.00 0.76 C ATOM 815 C GLU A 51 0.791 9.646 -1.182 1.00 0.77 C ATOM 816 O GLU A 51 1.687 8.809 -1.093 1.00 1.23 O ATOM 817 CB GLU A 51 0.703 11.722 0.154 1.00 0.88 C ATOM 818 CG GLU A 51 0.225 12.513 1.372 1.00 1.35 C ATOM 819 CD GLU A 51 -1.280 12.723 1.469 1.00 1.46 C ATOM 820 OE1 GLU A 51 -1.874 13.410 0.596 1.00 1.89 O ATOM 821 OE2 GLU A 51 -1.914 12.334 2.486 1.00 1.94 O ATOM 0 H GLU A 51 1.424 9.719 1.551 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.901 10.313 -0.077 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.792 11.692 0.174 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.416 12.271 -0.743 1.00 0.88 H new ATOM 0 HG2 GLU A 51 0.561 11.998 2.272 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.710 13.489 1.363 1.00 1.35 H new ATOM 828 N ASP A 52 0.305 10.067 -2.363 1.00 0.66 N ATOM 829 CA ASP A 52 0.524 9.485 -3.651 1.00 0.65 C ATOM 830 C ASP A 52 1.893 9.707 -4.196 1.00 0.60 C ATOM 831 O ASP A 52 2.687 8.773 -4.290 1.00 0.62 O ATOM 832 CB ASP A 52 -0.538 10.079 -4.591 1.00 0.81 C ATOM 833 CG ASP A 52 -1.977 9.750 -4.220 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.339 8.569 -3.970 1.00 1.56 O ATOM 835 OD2 ASP A 52 -2.820 10.675 -4.072 1.00 1.44 O ATOM 0 H ASP A 52 -0.296 10.890 -2.419 1.00 0.66 H new ATOM 0 HA ASP A 52 0.438 8.402 -3.563 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -0.421 11.163 -4.609 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.348 9.721 -5.603 1.00 0.81 H new ATOM 840 N GLY A 53 2.268 10.944 -4.570 1.00 0.68 N ATOM 841 CA GLY A 53 3.513 11.448 -5.061 1.00 0.73 C ATOM 842 C GLY A 53 4.514 11.546 -3.961 1.00 0.72 C ATOM 843 O GLY A 53 5.055 12.612 -3.670 1.00 0.97 O ATOM 0 H GLY A 53 1.587 11.702 -4.517 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.891 10.793 -5.846 1.00 0.73 H new ATOM 0 HA3 GLY A 53 3.362 12.430 -5.510 1.00 0.73 H new ATOM 847 N ARG A 54 4.819 10.399 -3.328 1.00 0.64 N ATOM 848 CA ARG A 54 5.890 10.225 -2.398 1.00 0.63 C ATOM 849 C ARG A 54 6.438 8.862 -2.650 1.00 0.59 C ATOM 850 O ARG A 54 5.778 7.932 -3.110 1.00 0.62 O ATOM 851 CB ARG A 54 5.446 10.148 -0.928 1.00 0.69 C ATOM 852 CG ARG A 54 4.753 11.380 -0.343 1.00 0.82 C ATOM 853 CD ARG A 54 5.527 12.691 -0.493 1.00 1.18 C ATOM 854 NE ARG A 54 4.686 13.772 0.093 1.00 1.50 N ATOM 855 CZ ARG A 54 3.714 14.439 -0.596 1.00 2.00 C ATOM 856 NH1 ARG A 54 3.373 14.185 -1.893 1.00 2.48 N ATOM 857 NH2 ARG A 54 3.008 15.381 0.096 1.00 2.49 N ATOM 0 H ARG A 54 4.285 9.542 -3.475 1.00 0.64 H new ATOM 0 HA ARG A 54 6.563 11.071 -2.535 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.771 9.299 -0.823 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.325 9.934 -0.320 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.781 11.493 -0.823 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.567 11.205 0.717 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.487 12.631 0.019 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.738 12.895 -1.543 1.00 1.18 H new ATOM 0 HE ARG A 54 4.846 14.029 1.067 1.00 1.50 H new ATOM 0 HH11 ARG A 54 3.857 13.453 -2.414 1.00 2.48 H new ATOM 0 HH12 ARG A 54 2.634 14.727 -2.342 1.00 2.48 H new ATOM 0 HH21 ARG A 54 3.219 15.556 1.079 1.00 2.49 H new ATOM 0 HH22 ARG A 54 2.270 15.909 -0.370 1.00 2.49 H new ATOM 871 N THR A 55 7.749 8.642 -2.441 1.00 0.63 N ATOM 872 CA THR A 55 8.381 7.372 -2.623 1.00 0.61 C ATOM 873 C THR A 55 8.245 6.588 -1.363 1.00 0.59 C ATOM 874 O THR A 55 7.883 7.034 -0.275 1.00 0.64 O ATOM 875 CB THR A 55 9.794 7.341 -3.126 1.00 0.68 C ATOM 876 OG1 THR A 55 10.690 7.953 -2.212 1.00 0.75 O ATOM 877 CG2 THR A 55 9.737 7.995 -4.518 1.00 0.76 C ATOM 0 H THR A 55 8.391 9.373 -2.135 1.00 0.63 H new ATOM 0 HA THR A 55 7.845 6.924 -3.460 1.00 0.61 H new ATOM 0 HB THR A 55 10.194 6.331 -3.212 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.685 8.923 -2.349 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.736 8.010 -4.954 1.00 0.76 H new ATOM 0 HG22 THR A 55 9.069 7.423 -5.162 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.366 9.016 -4.426 1.00 0.76 H new ATOM 885 N LEU A 56 8.608 5.295 -1.438 1.00 0.58 N ATOM 886 CA LEU A 56 8.794 4.354 -0.378 1.00 0.59 C ATOM 887 C LEU A 56 9.949 4.748 0.478 1.00 0.64 C ATOM 888 O LEU A 56 9.954 4.577 1.696 1.00 0.70 O ATOM 889 CB LEU A 56 8.969 2.936 -0.945 1.00 0.60 C ATOM 890 CG LEU A 56 7.715 2.220 -1.477 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.066 0.795 -1.933 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.491 2.063 -0.559 1.00 1.03 C ATOM 0 H LEU A 56 8.791 4.865 -2.345 1.00 0.58 H new ATOM 0 HA LEU A 56 7.904 4.354 0.251 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.696 2.986 -1.755 1.00 0.60 H new ATOM 0 HB3 LEU A 56 9.405 2.313 -0.164 1.00 0.60 H new ATOM 0 HG LEU A 56 7.413 2.909 -2.266 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.169 0.301 -2.307 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.812 0.840 -2.726 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.466 0.231 -1.090 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.700 1.537 -1.094 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.771 1.493 0.327 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.133 3.048 -0.259 1.00 1.03 H new ATOM 904 N SER A 57 11.057 5.259 -0.089 1.00 0.68 N ATOM 905 CA SER A 57 12.202 5.712 0.639 1.00 0.75 C ATOM 906 C SER A 57 11.963 6.893 1.516 1.00 0.76 C ATOM 907 O SER A 57 12.407 6.980 2.660 1.00 0.84 O ATOM 908 CB SER A 57 13.441 6.006 -0.222 1.00 0.84 C ATOM 909 OG SER A 57 14.522 6.537 0.530 1.00 1.19 O ATOM 0 H SER A 57 11.159 5.361 -1.099 1.00 0.68 H new ATOM 0 HA SER A 57 12.404 4.843 1.265 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.763 5.087 -0.713 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.172 6.710 -1.009 1.00 0.84 H new ATOM 0 HG SER A 57 15.283 6.704 -0.064 1.00 1.19 H new ATOM 915 N ASP A 58 11.116 7.813 1.020 1.00 0.75 N ATOM 916 CA ASP A 58 10.713 8.992 1.723 1.00 0.78 C ATOM 917 C ASP A 58 10.005 8.770 3.015 1.00 0.77 C ATOM 918 O ASP A 58 10.246 9.428 4.026 1.00 0.86 O ATOM 919 CB ASP A 58 9.798 9.824 0.810 1.00 0.83 C ATOM 920 CG ASP A 58 10.498 10.447 -0.390 1.00 1.23 C ATOM 921 OD1 ASP A 58 11.508 11.169 -0.175 1.00 1.86 O ATOM 922 OD2 ASP A 58 10.044 10.237 -1.547 1.00 1.90 O ATOM 0 H ASP A 58 10.696 7.733 0.094 1.00 0.75 H new ATOM 0 HA ASP A 58 11.642 9.501 1.980 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.988 9.188 0.452 1.00 0.83 H new ATOM 0 HB3 ASP A 58 9.342 10.618 1.401 1.00 0.83 H new ATOM 927 N TYR A 59 9.106 7.770 3.051 1.00 0.72 N ATOM 928 CA TYR A 59 8.407 7.234 4.177 1.00 0.73 C ATOM 929 C TYR A 59 9.226 6.327 5.031 1.00 0.76 C ATOM 930 O TYR A 59 8.744 5.799 6.032 1.00 0.89 O ATOM 931 CB TYR A 59 7.147 6.470 3.735 1.00 0.73 C ATOM 932 CG TYR A 59 6.021 7.411 3.476 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.583 8.291 4.437 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.424 7.451 2.238 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.567 9.182 4.185 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.349 8.275 2.000 1.00 0.70 C ATOM 937 CZ TYR A 59 3.949 9.178 2.956 1.00 0.74 C ATOM 938 OH TYR A 59 2.907 10.080 2.655 1.00 0.86 O ATOM 0 H TYR A 59 8.842 7.286 2.193 1.00 0.72 H new ATOM 0 HA TYR A 59 8.145 8.106 4.777 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.362 5.896 2.834 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.860 5.756 4.507 1.00 0.73 H new ATOM 0 HD1 TYR A 59 6.048 8.282 5.412 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.804 6.827 1.442 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.256 9.881 4.947 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.819 8.213 1.061 1.00 0.70 H new ATOM 0 HH TYR A 59 3.271 10.987 2.581 1.00 0.86 H new ATOM 948 N ASN A 60 10.427 5.954 4.555 1.00 0.74 N ATOM 949 CA ASN A 60 11.215 5.028 5.309 1.00 0.79 C ATOM 950 C ASN A 60 10.575 3.691 5.457 1.00 0.75 C ATOM 951 O ASN A 60 10.585 2.997 6.473 1.00 0.86 O ATOM 952 CB ASN A 60 11.744 5.486 6.679 1.00 0.95 C ATOM 953 CG ASN A 60 13.074 4.781 6.907 1.00 1.25 C ATOM 954 OD1 ASN A 60 14.002 4.853 6.105 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.288 4.132 8.083 1.00 1.83 N ATOM 0 H ASN A 60 10.842 6.278 3.681 1.00 0.74 H new ATOM 0 HA ASN A 60 12.095 4.962 4.669 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.874 6.568 6.699 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.035 5.235 7.468 1.00 0.95 H new ATOM 0 HD21 ASN A 60 14.200 3.721 8.280 1.00 1.83 H new ATOM 0 HD22 ASN A 60 12.536 4.056 8.768 1.00 1.83 H new ATOM 962 N ILE A 61 10.087 3.123 4.339 1.00 0.67 N ATOM 963 CA ILE A 61 9.434 1.874 4.102 1.00 0.65 C ATOM 964 C ILE A 61 10.516 0.959 3.641 1.00 0.66 C ATOM 965 O ILE A 61 10.916 1.102 2.487 1.00 0.75 O ATOM 966 CB ILE A 61 8.223 1.846 3.216 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.105 2.628 3.925 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.852 0.423 2.763 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.096 3.351 3.034 1.00 0.82 C ATOM 0 H ILE A 61 10.169 3.633 3.460 1.00 0.67 H new ATOM 0 HA ILE A 61 8.957 1.568 5.033 1.00 0.65 H new ATOM 0 HB ILE A 61 8.425 2.344 2.268 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.558 1.934 4.564 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.569 3.365 4.580 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.969 0.463 2.125 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.683 -0.010 2.206 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.641 -0.193 3.637 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.362 3.863 3.656 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.616 4.080 2.413 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.589 2.627 2.396 1.00 0.82 H new ATOM 981 N GLN A 62 11.094 0.067 4.466 1.00 0.67 N ATOM 982 CA GLN A 62 12.189 -0.797 4.151 1.00 0.70 C ATOM 983 C GLN A 62 11.597 -2.063 3.634 1.00 0.62 C ATOM 984 O GLN A 62 10.388 -2.258 3.525 1.00 0.64 O ATOM 985 CB GLN A 62 13.048 -1.034 5.405 1.00 0.85 C ATOM 986 CG GLN A 62 12.296 -1.371 6.694 1.00 1.27 C ATOM 987 CD GLN A 62 13.275 -1.919 7.723 1.00 1.57 C ATOM 988 OE1 GLN A 62 14.495 -1.976 7.578 1.00 2.08 O ATOM 989 NE2 GLN A 62 12.781 -2.339 8.919 1.00 2.16 N ATOM 0 H GLN A 62 10.770 -0.058 5.425 1.00 0.67 H new ATOM 0 HA GLN A 62 12.848 -0.361 3.400 1.00 0.70 H new ATOM 0 HB2 GLN A 62 13.744 -1.846 5.194 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.646 -0.140 5.583 1.00 0.85 H new ATOM 0 HG2 GLN A 62 11.803 -0.480 7.084 1.00 1.27 H new ATOM 0 HG3 GLN A 62 11.516 -2.105 6.491 1.00 1.27 H new ATOM 0 HE21 GLN A 62 11.776 -2.313 9.093 1.00 2.16 H new ATOM 0 HE22 GLN A 62 13.415 -2.679 9.642 1.00 2.16 H new ATOM 998 N LYS A 63 12.506 -3.027 3.403 1.00 0.64 N ATOM 999 CA LYS A 63 12.110 -4.353 3.045 1.00 0.62 C ATOM 1000 C LYS A 63 11.316 -4.958 4.152 1.00 0.59 C ATOM 1001 O LYS A 63 11.518 -4.549 5.295 1.00 0.66 O ATOM 1002 CB LYS A 63 13.335 -5.225 2.722 1.00 0.74 C ATOM 1003 CG LYS A 63 14.196 -5.655 3.911 1.00 0.89 C ATOM 1004 CD LYS A 63 15.099 -6.814 3.482 1.00 1.11 C ATOM 1005 CE LYS A 63 16.217 -7.195 4.454 1.00 1.47 C ATOM 1006 NZ LYS A 63 15.694 -7.893 5.652 1.00 2.12 N ATOM 0 H LYS A 63 13.515 -2.888 3.464 1.00 0.64 H new ATOM 0 HA LYS A 63 11.491 -4.301 2.149 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.990 -6.122 2.208 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.968 -4.680 2.022 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.800 -4.817 4.261 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.562 -5.960 4.743 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.474 -7.692 3.317 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.551 -6.560 2.523 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.937 -7.836 3.946 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.752 -6.297 4.762 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.473 -8.382 6.136 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.266 -7.200 6.298 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 14.976 -8.587 5.363 1.00 2.12 H new ATOM 1020 N GLU A 64 10.403 -5.887 3.819 1.00 0.57 N ATOM 1021 CA GLU A 64 9.637 -6.742 4.672 1.00 0.58 C ATOM 1022 C GLU A 64 8.660 -5.958 5.479 1.00 0.56 C ATOM 1023 O GLU A 64 8.238 -6.322 6.576 1.00 0.70 O ATOM 1024 CB GLU A 64 10.566 -7.771 5.335 1.00 0.72 C ATOM 1025 CG GLU A 64 11.408 -8.661 4.418 1.00 0.96 C ATOM 1026 CD GLU A 64 12.273 -9.634 5.207 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.657 -10.468 5.924 1.00 1.69 O ATOM 1028 OE2 GLU A 64 13.517 -9.442 5.155 1.00 1.71 O ATOM 0 H GLU A 64 10.178 -6.056 2.838 1.00 0.57 H new ATOM 0 HA GLU A 64 8.945 -7.391 4.134 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.245 -7.233 5.997 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.955 -8.419 5.963 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.751 -9.219 3.751 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.044 -8.037 3.791 1.00 0.96 H new ATOM 1035 N SER A 65 8.312 -4.747 5.008 1.00 0.51 N ATOM 1036 CA SER A 65 7.405 -3.935 5.757 1.00 0.51 C ATOM 1037 C SER A 65 5.978 -4.248 5.463 1.00 0.43 C ATOM 1038 O SER A 65 5.700 -4.397 4.273 1.00 0.50 O ATOM 1039 CB SER A 65 7.548 -2.434 5.454 1.00 0.65 C ATOM 1040 OG SER A 65 8.849 -1.955 5.759 1.00 1.04 O ATOM 0 H SER A 65 8.647 -4.339 4.135 1.00 0.51 H new ATOM 0 HA SER A 65 7.664 -4.158 6.792 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.332 -2.254 4.401 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.811 -1.875 6.030 1.00 0.65 H new ATOM 0 HG SER A 65 9.458 -2.169 5.021 1.00 1.04 H new ATOM 1046 N THR A 66 5.084 -4.337 6.464 1.00 0.45 N ATOM 1047 CA THR A 66 3.713 -4.661 6.221 1.00 0.45 C ATOM 1048 C THR A 66 2.955 -3.396 6.013 1.00 0.43 C ATOM 1049 O THR A 66 2.881 -2.562 6.914 1.00 0.58 O ATOM 1050 CB THR A 66 3.196 -5.433 7.398 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.782 -6.726 7.396 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.665 -5.540 7.300 1.00 0.78 C ATOM 0 H THR A 66 5.313 -4.184 7.446 1.00 0.45 H new ATOM 0 HA THR A 66 3.598 -5.276 5.328 1.00 0.45 H new ATOM 0 HB THR A 66 3.456 -4.924 8.326 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.450 -7.237 8.164 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.284 -6.101 8.154 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.230 -4.541 7.299 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.395 -6.055 6.378 1.00 0.78 H new ATOM 1060 N LEU A 67 2.443 -3.057 4.816 1.00 0.38 N ATOM 1061 CA LEU A 67 1.598 -1.915 4.646 1.00 0.38 C ATOM 1062 C LEU A 67 0.196 -2.362 4.880 1.00 0.37 C ATOM 1063 O LEU A 67 -0.178 -3.473 4.507 1.00 0.50 O ATOM 1064 CB LEU A 67 1.570 -1.292 3.241 1.00 0.46 C ATOM 1065 CG LEU A 67 2.951 -0.903 2.683 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.993 -0.398 1.232 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.615 0.180 3.550 1.00 1.31 C ATOM 0 H LEU A 67 2.617 -3.580 3.958 1.00 0.38 H new ATOM 0 HA LEU A 67 1.995 -1.168 5.334 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.101 -1.997 2.555 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.939 -0.403 3.265 1.00 0.46 H new ATOM 0 HG LEU A 67 3.485 -1.853 2.705 1.00 0.65 H new ATOM 0 HD11 LEU A 67 4.021 -0.158 0.960 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.613 -1.173 0.566 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.375 0.495 1.140 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.589 0.435 3.132 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.984 1.069 3.568 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.743 -0.195 4.565 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.650 -1.601 5.598 1.00 0.35 N ATOM 1080 CA HIS A 68 -1.967 -2.019 5.967 1.00 0.37 C ATOM 1081 C HIS A 68 -2.887 -1.493 4.921 1.00 0.35 C ATOM 1082 O HIS A 68 -3.028 -0.284 4.741 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.280 -1.393 7.338 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.451 -1.827 8.510 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.095 -1.579 8.575 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.708 -2.554 9.630 1.00 1.48 C ATOM 1087 CE1 HIS A 68 0.337 -2.178 9.718 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.607 -2.756 10.437 1.00 1.51 N ATOM 0 H HIS A 68 -0.411 -0.667 5.932 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.070 -3.102 6.039 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.184 -0.311 7.242 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.324 -1.601 7.571 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -2.688 -2.940 9.867 1.00 1.48 H new ATOM 0 HE1 HIS A 68 1.375 -2.180 10.015 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.541 -3.224 11.341 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.574 -2.366 4.161 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.445 -2.026 3.079 1.00 0.38 C ATOM 1098 C LEU A 69 -5.863 -2.060 3.536 1.00 0.41 C ATOM 1099 O LEU A 69 -6.378 -3.114 3.907 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.249 -2.967 1.879 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.015 -2.566 0.608 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -4.460 -1.227 0.093 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -4.801 -3.598 -0.511 1.00 1.14 C ATOM 0 H LEU A 69 -3.516 -3.373 4.313 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.196 -1.016 2.752 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.186 -3.016 1.644 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.558 -3.971 2.170 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.074 -2.501 0.858 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -4.997 -0.933 -0.809 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -4.589 -0.461 0.858 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -3.400 -1.336 -0.135 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.353 -3.291 -1.399 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -3.739 -3.663 -0.748 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.159 -4.573 -0.180 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.483 -0.873 3.658 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.823 -0.543 4.033 1.00 0.56 C ATOM 1117 C VAL A 70 -8.597 -0.301 2.782 1.00 0.55 C ATOM 1118 O VAL A 70 -8.063 0.301 1.852 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.934 0.630 4.961 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.358 1.041 5.371 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.199 0.299 6.271 1.00 0.97 C ATOM 0 H VAL A 70 -5.959 -0.020 3.462 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.227 -1.382 4.600 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.509 1.458 4.394 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.310 1.899 6.042 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -9.930 1.307 4.482 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.844 0.209 5.880 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.273 1.145 6.954 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.653 -0.579 6.731 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.150 0.096 6.058 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.806 -0.859 2.596 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.582 -0.595 1.424 1.00 0.84 C ATOM 1133 C LEU A 71 -11.767 0.171 1.900 1.00 0.85 C ATOM 1134 O LEU A 71 -12.643 -0.211 2.675 1.00 1.03 O ATOM 1135 CB LEU A 71 -10.894 -1.833 0.566 1.00 1.26 C ATOM 1136 CG LEU A 71 -9.740 -2.719 0.069 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.243 -3.834 -0.864 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -8.686 -1.947 -0.743 1.00 2.78 C ATOM 0 H LEU A 71 -10.248 -1.495 3.260 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.016 -0.006 0.703 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.569 -2.467 1.141 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.446 -1.493 -0.310 1.00 1.26 H new ATOM 0 HG LEU A 71 -9.298 -3.117 0.982 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -9.399 -4.440 -1.195 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -10.954 -4.464 -0.328 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -10.733 -3.390 -1.730 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -7.900 -2.631 -1.063 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -9.157 -1.500 -1.619 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.253 -1.162 -0.123 1.00 2.78 H new