USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 55 THR OG1 : rot 131:sc= 0.245 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.209 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc=-0.00121 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 170:sc= 1.16 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 168:sc= 0.981 USER MOD Single : A 1 MET CE :methyl 155:sc= -0.155 (180deg=-0.331) USER MOD Single : A 1 MET N :NH3+ 172:sc= 1.29 (180deg=1.03) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 143:sc= 1.19 (180deg=0.712) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 141:sc= 1.23 (180deg=1.11) USER MOD Single : A 29 LYS NZ :NH3+ -116:sc= 1.06 (180deg=-0.0728) USER MOD Single : A 31 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.51) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.425 X(o=-0.43,f=-0.44) USER MOD Single : A 41 GLN : amide:sc= 0.74 K(o=0.74,f=-3.8!) 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 59 TYR OH : rot 30:sc= 0.799 USER MOD Single : A 60 ASN : amide:sc= -0.0253 K(o=-0.025,f=-1.2!) USER MOD Single : A 62 GLN : amide:sc= -0.035 X(o=-0.035,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 73:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0061 X(o=-0.0061,f=-0.029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.337 -7.109 -4.979 1.00 9.67 N ATOM 2 CA MET A 1 11.173 -6.863 -3.519 1.00 10.38 C ATOM 3 C MET A 1 9.799 -7.351 -3.050 1.00 9.62 C ATOM 4 O MET A 1 8.759 -6.879 -3.545 1.00 9.62 O ATOM 5 CB MET A 1 11.290 -5.371 -3.244 1.00 13.77 C ATOM 6 CG MET A 1 11.277 -5.023 -1.760 1.00 16.29 C ATOM 7 SD MET A 1 11.849 -3.371 -1.264 1.00 17.17 S ATOM 8 CE MET A 1 10.370 -2.461 -1.693 1.00 16.11 C ATOM 0 H1 MET A 1 12.211 -6.654 -5.312 1.00 9.67 H new ATOM 0 H2 MET A 1 11.390 -8.133 -5.155 1.00 9.67 H new ATOM 0 H3 MET A 1 10.524 -6.712 -5.491 1.00 9.67 H new ATOM 0 HA MET A 1 11.949 -7.406 -2.980 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.213 -4.999 -3.688 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.468 -4.853 -3.738 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.256 -5.145 -1.398 1.00 16.29 H new ATOM 0 HG3 MET A 1 11.890 -5.759 -1.240 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.315 -1.553 -1.093 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.399 -2.197 -2.750 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.493 -3.079 -1.498 1.00 16.11 H new ATOM 20 N GLN A 2 9.655 -8.239 -2.006 1.00 9.27 N ATOM 21 CA GLN A 2 8.372 -8.547 -1.490 1.00 9.07 C ATOM 22 C GLN A 2 7.931 -7.933 -0.235 1.00 8.72 C ATOM 23 O GLN A 2 8.596 -7.885 0.777 1.00 8.22 O ATOM 24 CB GLN A 2 8.424 -10.142 -1.241 1.00 14.46 C ATOM 25 CG GLN A 2 7.076 -10.890 -1.057 1.00 17.01 C ATOM 26 CD GLN A 2 7.222 -12.443 -1.037 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.212 -12.972 0.051 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.324 -13.147 -2.165 1.00 19.49 N ATOM 0 H GLN A 2 10.429 -8.720 -1.547 1.00 9.27 H new ATOM 0 HA GLN A 2 7.659 -8.154 -2.214 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.947 -10.596 -2.083 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.031 -10.323 -0.354 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.614 -10.565 -0.125 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.400 -10.607 -1.864 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.329 -12.669 -3.066 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.397 -14.164 -2.127 1.00 19.49 H new ATOM 37 N ILE A 3 6.793 -7.258 -0.328 1.00 5.87 N ATOM 38 CA ILE A 3 6.209 -6.576 0.767 1.00 5.07 C ATOM 39 C ILE A 3 4.842 -7.183 1.121 1.00 4.01 C ATOM 40 O ILE A 3 4.164 -7.796 0.332 1.00 4.61 O ATOM 41 CB ILE A 3 6.019 -5.072 0.685 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.038 -4.618 -0.508 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.513 -4.566 0.523 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.992 -3.155 -0.715 1.00 10.83 C ATOM 0 H ILE A 3 6.257 -7.181 -1.193 1.00 5.87 H new ATOM 0 HA ILE A 3 6.976 -6.721 1.528 1.00 5.07 H new ATOM 0 HB ILE A 3 5.516 -4.644 1.552 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.359 -5.097 -1.433 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.031 -4.978 -0.296 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.523 -3.478 0.451 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.099 -4.878 1.388 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.946 -4.993 -0.381 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.311 -2.925 -1.534 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.641 -2.670 0.196 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.990 -2.791 -0.959 1.00 10.83 H new ATOM 56 N PHE A 4 4.451 -7.102 2.395 1.00 4.55 N ATOM 57 CA PHE A 4 3.187 -7.663 2.833 1.00 4.68 C ATOM 58 C PHE A 4 2.311 -6.477 3.164 1.00 5.30 C ATOM 59 O PHE A 4 2.883 -5.469 3.592 1.00 5.58 O ATOM 60 CB PHE A 4 3.389 -8.435 4.159 1.00 4.83 C ATOM 61 CG PHE A 4 4.546 -9.390 4.165 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.586 -10.440 3.220 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.641 -9.183 5.067 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.621 -11.297 3.188 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.719 -10.058 4.986 1.00 10.61 C ATOM 66 CZ PHE A 4 6.639 -11.128 4.071 1.00 8.90 C ATOM 0 H PHE A 4 4.994 -6.654 3.133 1.00 4.55 H new ATOM 0 HA PHE A 4 2.772 -8.324 2.072 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.528 -7.714 4.965 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.478 -8.990 4.382 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.776 -10.555 2.515 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.629 -8.376 5.784 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.643 -12.106 2.473 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.593 -9.922 5.606 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.436 -11.857 4.072 1.00 8.90 H new ATOM 76 N VAL A 5 0.952 -6.646 3.069 1.00 4.44 N ATOM 77 CA VAL A 5 0.005 -5.652 3.454 1.00 3.87 C ATOM 78 C VAL A 5 -0.896 -6.381 4.436 1.00 4.93 C ATOM 79 O VAL A 5 -1.456 -7.383 4.002 1.00 6.84 O ATOM 80 CB VAL A 5 -0.720 -4.939 2.313 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.869 -4.021 2.925 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.338 -4.216 1.495 1.00 9.13 C ATOM 0 H VAL A 5 0.523 -7.500 2.714 1.00 4.44 H new ATOM 0 HA VAL A 5 0.495 -4.789 3.904 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.237 -5.613 1.630 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.393 -3.508 2.119 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.574 -4.641 3.479 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.428 -3.285 3.597 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.138 -3.692 0.667 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.859 -3.498 2.128 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.053 -4.940 1.103 1.00 9.13 H new ATOM 92 N LYS A 6 -1.071 -5.889 5.705 1.00 6.04 N ATOM 93 CA LYS A 6 -2.143 -6.423 6.658 1.00 6.12 C ATOM 94 C LYS A 6 -3.384 -5.563 6.527 1.00 6.57 C ATOM 95 O LYS A 6 -3.353 -4.340 6.528 1.00 5.76 O ATOM 96 CB LYS A 6 -1.669 -6.304 8.127 1.00 7.45 C ATOM 97 CG LYS A 6 -0.557 -7.319 8.457 1.00 11.12 C ATOM 98 CD LYS A 6 -0.941 -8.806 8.518 1.00 14.54 C ATOM 99 CE LYS A 6 0.222 -9.680 8.921 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.213 -11.121 8.953 1.00 20.55 N ATOM 0 H LYS A 6 -0.504 -5.139 6.100 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.340 -7.465 6.406 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.304 -5.293 8.310 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.515 -6.463 8.795 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.231 -7.207 7.712 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.127 -7.044 9.420 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.757 -8.940 9.228 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.311 -9.124 7.543 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.045 -9.554 8.217 1.00 18.84 H new ATOM 0 HE3 LYS A 6 0.592 -9.380 9.901 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.621 -11.733 9.063 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.860 -11.270 9.753 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.700 -11.356 8.065 1.00 20.55 H new ATOM 114 N THR A 7 -4.534 -6.320 6.480 1.00 7.41 N ATOM 115 CA THR A 7 -5.869 -5.723 6.571 1.00 7.48 C ATOM 116 C THR A 7 -6.486 -5.745 7.991 1.00 8.75 C ATOM 117 O THR A 7 -5.868 -6.253 8.913 1.00 8.58 O ATOM 118 CB THR A 7 -6.862 -6.304 5.590 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.453 -7.562 6.042 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.272 -6.562 4.183 1.00 9.17 C ATOM 0 H THR A 7 -4.538 -7.335 6.380 1.00 7.41 H new ATOM 0 HA THR A 7 -5.683 -4.682 6.305 1.00 7.48 H new ATOM 0 HB THR A 7 -7.626 -5.529 5.531 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.086 -7.887 5.368 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.044 -6.979 3.536 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.913 -5.623 3.761 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.443 -7.266 4.259 1.00 9.17 H new ATOM 128 N LEU A 8 -7.726 -5.174 8.186 1.00 9.84 N ATOM 129 CA LEU A 8 -8.460 -5.052 9.436 1.00 14.15 C ATOM 130 C LEU A 8 -8.689 -6.433 9.920 1.00 17.37 C ATOM 131 O LEU A 8 -8.518 -6.721 11.135 1.00 17.01 O ATOM 132 CB LEU A 8 -9.784 -4.333 9.142 1.00 16.63 C ATOM 133 CG LEU A 8 -10.740 -3.974 10.328 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.112 -2.936 11.316 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.107 -3.398 9.815 1.00 18.59 C ATOM 0 H LEU A 8 -8.245 -4.771 7.406 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.924 -4.479 10.193 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.545 -3.406 8.622 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.346 -4.954 8.444 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.905 -4.912 10.858 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -10.818 -2.724 12.119 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.195 -3.345 11.739 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.885 -2.015 10.780 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.744 -3.160 10.667 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.926 -2.494 9.234 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.602 -4.139 9.187 1.00 18.59 H new ATOM 147 N THR A 9 -9.059 -7.337 9.004 1.00 18.33 N ATOM 148 CA THR A 9 -9.409 -8.725 9.399 1.00 19.24 C ATOM 149 C THR A 9 -8.341 -9.780 9.406 1.00 19.48 C ATOM 150 O THR A 9 -8.590 -10.993 9.345 1.00 23.14 O ATOM 151 CB THR A 9 -10.518 -9.292 8.571 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.064 -9.270 7.184 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.704 -8.341 8.612 1.00 19.70 C ATOM 0 H THR A 9 -9.126 -7.148 8.004 1.00 18.33 H new ATOM 0 HA THR A 9 -9.672 -8.537 10.440 1.00 19.24 H new ATOM 0 HB THR A 9 -10.784 -10.286 8.931 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.764 -9.637 6.605 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.517 -8.747 8.010 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.039 -8.222 9.642 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.407 -7.371 8.213 1.00 19.70 H new ATOM 161 N GLY A 10 -7.063 -9.345 9.403 1.00 19.43 N ATOM 162 CA GLY A 10 -5.889 -10.180 9.500 1.00 18.74 C ATOM 163 C GLY A 10 -5.394 -10.845 8.202 1.00 17.62 C ATOM 164 O GLY A 10 -4.481 -11.651 8.270 1.00 19.74 O ATOM 0 H GLY A 10 -6.832 -8.354 9.329 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.076 -9.576 9.902 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.092 -10.966 10.227 1.00 18.74 H new ATOM 168 N LYS A 11 -5.974 -10.435 7.018 1.00 13.56 N ATOM 169 CA LYS A 11 -5.623 -10.878 5.670 1.00 11.91 C ATOM 170 C LYS A 11 -4.289 -10.316 5.395 1.00 10.18 C ATOM 171 O LYS A 11 -4.049 -9.179 5.680 1.00 9.10 O ATOM 172 CB LYS A 11 -6.674 -10.557 4.663 1.00 13.43 C ATOM 173 CG LYS A 11 -6.410 -11.260 3.293 1.00 16.69 C ATOM 174 CD LYS A 11 -7.326 -10.850 2.153 1.00 17.92 C ATOM 175 CE LYS A 11 -7.824 -11.909 1.212 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.860 -12.173 0.186 1.00 21.93 N ATOM 0 H LYS A 11 -6.733 -9.753 7.009 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.575 -11.965 5.598 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.648 -10.864 5.046 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.715 -9.478 4.514 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.380 -11.061 2.996 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.498 -12.337 3.436 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.196 -10.359 2.588 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.801 -10.101 1.560 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.032 -12.825 1.765 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.763 -11.588 0.761 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -6.859 -13.189 -0.036 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.105 -11.632 -0.668 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -5.915 -11.890 0.516 1.00 21.93 H new ATOM 190 N THR A 12 -3.439 -11.132 4.818 1.00 9.63 N ATOM 191 CA THR A 12 -2.027 -10.798 4.431 1.00 9.85 C ATOM 192 C THR A 12 -2.067 -10.792 2.955 1.00 11.66 C ATOM 193 O THR A 12 -2.118 -11.826 2.289 1.00 12.33 O ATOM 194 CB THR A 12 -0.949 -11.754 4.914 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.987 -11.814 6.345 1.00 10.91 O ATOM 196 CG2 THR A 12 0.515 -11.478 4.505 1.00 9.63 C ATOM 0 H THR A 12 -3.691 -12.092 4.582 1.00 9.63 H new ATOM 0 HA THR A 12 -1.741 -9.857 4.902 1.00 9.85 H new ATOM 0 HB THR A 12 -1.206 -12.685 4.408 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.436 -12.562 6.656 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.162 -12.247 4.927 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.598 -11.491 3.418 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.820 -10.501 4.881 1.00 9.63 H new ATOM 204 N ILE A 13 -1.992 -9.571 2.329 1.00 10.42 N ATOM 205 CA ILE A 13 -1.811 -9.370 0.933 1.00 11.84 C ATOM 206 C ILE A 13 -0.259 -9.297 0.620 1.00 10.55 C ATOM 207 O ILE A 13 0.360 -8.297 0.805 1.00 11.92 O ATOM 208 CB ILE A 13 -2.520 -8.098 0.417 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.990 -7.919 1.052 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.622 -8.054 -1.102 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.535 -6.491 0.942 1.00 16.46 C ATOM 0 H ILE A 13 -2.064 -8.694 2.845 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.266 -10.212 0.412 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.890 -7.271 0.743 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.678 -8.601 0.553 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.961 -8.208 2.103 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.129 -7.138 -1.406 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.622 -8.076 -1.535 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.188 -8.916 -1.454 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.528 -6.445 1.390 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.868 -5.806 1.466 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.597 -6.205 -0.108 1.00 16.46 H new ATOM 223 N THR A 14 0.312 -10.409 0.072 1.00 9.39 N ATOM 224 CA THR A 14 1.715 -10.563 -0.207 1.00 9.63 C ATOM 225 C THR A 14 1.950 -10.169 -1.681 1.00 11.20 C ATOM 226 O THR A 14 1.294 -10.760 -2.593 1.00 11.63 O ATOM 227 CB THR A 14 2.227 -11.967 -0.062 1.00 10.38 C ATOM 228 OG1 THR A 14 2.084 -12.364 1.281 1.00 16.30 O ATOM 229 CG2 THR A 14 3.732 -12.122 -0.368 1.00 11.66 C ATOM 0 H THR A 14 -0.235 -11.231 -0.184 1.00 9.39 H new ATOM 0 HA THR A 14 2.240 -9.939 0.516 1.00 9.63 H new ATOM 0 HB THR A 14 1.653 -12.562 -0.772 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.414 -13.281 1.388 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.024 -13.164 -0.241 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.928 -11.813 -1.395 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.308 -11.498 0.315 1.00 11.66 H new ATOM 237 N LEU A 15 2.799 -9.111 -1.894 1.00 8.29 N ATOM 238 CA LEU A 15 2.946 -8.310 -3.088 1.00 9.03 C ATOM 239 C LEU A 15 4.405 -8.287 -3.544 1.00 8.59 C ATOM 240 O LEU A 15 5.327 -7.977 -2.770 1.00 7.79 O ATOM 241 CB LEU A 15 2.628 -6.840 -2.995 1.00 11.08 C ATOM 242 CG LEU A 15 1.268 -6.533 -2.465 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.091 -4.957 -2.348 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.216 -7.200 -3.323 1.00 15.27 C ATOM 0 H LEU A 15 3.433 -8.799 -1.158 1.00 8.29 H new ATOM 0 HA LEU A 15 2.228 -8.798 -3.747 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.370 -6.361 -2.356 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.726 -6.397 -3.986 1.00 11.08 H new ATOM 0 HG LEU A 15 1.144 -6.940 -1.461 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.098 -4.730 -1.961 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.845 -4.555 -1.671 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.209 -4.504 -3.332 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.774 -6.971 -2.929 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.294 -6.832 -4.346 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.369 -8.279 -3.313 1.00 15.27 H new ATOM 256 N GLU A 16 4.712 -8.607 -4.829 1.00 11.04 N ATOM 257 CA GLU A 16 6.056 -8.391 -5.368 1.00 11.50 C ATOM 258 C GLU A 16 6.215 -6.989 -6.024 1.00 10.13 C ATOM 259 O GLU A 16 5.428 -6.693 -6.944 1.00 9.83 O ATOM 260 CB GLU A 16 6.450 -9.437 -6.489 1.00 17.22 C ATOM 261 CG GLU A 16 6.155 -10.920 -6.188 1.00 23.33 C ATOM 262 CD GLU A 16 6.758 -12.031 -7.058 1.00 26.99 C ATOM 263 OE1 GLU A 16 6.578 -11.907 -8.296 1.00 28.90 O ATOM 264 OE2 GLU A 16 7.457 -12.982 -6.568 1.00 28.86 O ATOM 0 H GLU A 16 4.049 -9.009 -5.492 1.00 11.04 H new ATOM 0 HA GLU A 16 6.704 -8.497 -4.498 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.927 -9.166 -7.406 1.00 17.22 H new ATOM 0 HB3 GLU A 16 7.517 -9.336 -6.688 1.00 17.22 H new ATOM 0 HG2 GLU A 16 6.472 -11.108 -5.162 1.00 23.33 H new ATOM 0 HG3 GLU A 16 5.072 -11.044 -6.215 1.00 23.33 H new ATOM 271 N VAL A 17 7.138 -6.149 -5.595 1.00 8.99 N ATOM 272 CA VAL A 17 7.368 -4.790 -6.094 1.00 8.85 C ATOM 273 C VAL A 17 8.835 -4.614 -6.328 1.00 8.04 C ATOM 274 O VAL A 17 9.610 -5.515 -6.109 1.00 8.99 O ATOM 275 CB VAL A 17 6.752 -3.808 -5.089 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.205 -4.054 -5.057 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.355 -3.942 -3.658 1.00 10.54 C ATOM 0 H VAL A 17 7.786 -6.402 -4.849 1.00 8.99 H new ATOM 0 HA VAL A 17 6.886 -4.597 -7.052 1.00 8.85 H new ATOM 0 HB VAL A 17 6.981 -2.793 -5.415 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.742 -3.367 -4.349 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.789 -3.886 -6.050 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.006 -5.081 -4.750 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.879 -3.221 -2.993 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.182 -4.951 -3.283 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.427 -3.748 -3.695 1.00 10.54 H new ATOM 287 N GLU A 18 9.286 -3.449 -6.852 1.00 7.29 N ATOM 288 CA GLU A 18 10.681 -3.067 -6.948 1.00 7.08 C ATOM 289 C GLU A 18 10.897 -1.792 -6.095 1.00 6.45 C ATOM 290 O GLU A 18 9.883 -1.177 -5.808 1.00 5.28 O ATOM 291 CB GLU A 18 11.099 -2.703 -8.367 1.00 10.28 C ATOM 292 CG GLU A 18 11.132 -3.887 -9.402 1.00 12.65 C ATOM 293 CD GLU A 18 11.990 -5.010 -8.990 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.227 -4.833 -8.810 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.469 -6.136 -8.753 1.00 18.17 O ATOM 0 H GLU A 18 8.655 -2.740 -7.226 1.00 7.29 H new ATOM 0 HA GLU A 18 11.268 -3.921 -6.611 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.417 -1.939 -8.741 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.091 -2.253 -8.328 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.117 -4.254 -9.554 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.481 -3.508 -10.363 1.00 12.65 H new ATOM 302 N PRO A 19 12.067 -1.330 -5.729 1.00 7.24 N ATOM 303 CA PRO A 19 12.242 -0.161 -4.920 1.00 7.07 C ATOM 304 C PRO A 19 11.698 1.162 -5.553 1.00 6.65 C ATOM 305 O PRO A 19 11.344 2.073 -4.805 1.00 6.37 O ATOM 306 CB PRO A 19 13.716 -0.071 -4.571 1.00 7.61 C ATOM 307 CG PRO A 19 14.153 -1.566 -4.634 1.00 8.16 C ATOM 308 CD PRO A 19 13.297 -2.146 -5.714 1.00 7.49 C ATOM 0 HA PRO A 19 11.633 -0.269 -4.022 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.267 0.546 -5.281 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.876 0.360 -3.583 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.213 -1.663 -4.869 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.990 -2.070 -3.681 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.804 -2.108 -6.678 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.070 -3.193 -5.514 1.00 7.49 H new ATOM 316 N SER A 20 11.752 1.288 -6.860 1.00 6.80 N ATOM 317 CA SER A 20 11.381 2.502 -7.590 1.00 6.28 C ATOM 318 C SER A 20 9.891 2.680 -7.836 1.00 8.45 C ATOM 319 O SER A 20 9.520 3.725 -8.344 1.00 7.26 O ATOM 320 CB SER A 20 12.100 2.648 -8.954 1.00 8.57 C ATOM 321 OG SER A 20 13.490 2.596 -8.717 1.00 11.13 O ATOM 0 H SER A 20 12.063 0.533 -7.471 1.00 6.80 H new ATOM 0 HA SER A 20 11.712 3.281 -6.904 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.798 1.850 -9.632 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.829 3.590 -9.430 1.00 8.57 H new ATOM 0 HG SER A 20 13.970 2.685 -9.567 1.00 11.13 H new ATOM 327 N ASP A 21 9.101 1.678 -7.433 1.00 7.50 N ATOM 328 CA ASP A 21 7.637 1.686 -7.576 1.00 7.70 C ATOM 329 C ASP A 21 6.920 2.610 -6.551 1.00 7.08 C ATOM 330 O ASP A 21 7.106 2.522 -5.298 1.00 8.11 O ATOM 331 CB ASP A 21 6.973 0.308 -7.596 1.00 11.00 C ATOM 332 CG ASP A 21 7.474 -0.546 -8.703 1.00 15.32 C ATOM 333 OD1 ASP A 21 8.026 0.010 -9.686 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.322 -1.820 -8.616 1.00 18.03 O ATOM 0 H ASP A 21 9.461 0.831 -6.994 1.00 7.50 H new ATOM 0 HA ASP A 21 7.503 2.105 -8.573 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.153 -0.193 -6.645 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.894 0.429 -7.694 1.00 11.00 H new ATOM 339 N THR A 22 6.051 3.556 -7.016 1.00 5.37 N ATOM 340 CA THR A 22 5.133 4.392 -6.234 1.00 6.01 C ATOM 341 C THR A 22 3.995 3.720 -5.590 1.00 8.01 C ATOM 342 O THR A 22 3.572 2.621 -5.963 1.00 8.11 O ATOM 343 CB THR A 22 4.578 5.551 -7.016 1.00 8.92 C ATOM 344 OG1 THR A 22 3.744 5.217 -8.103 1.00 10.22 O ATOM 345 CG2 THR A 22 5.760 6.334 -7.545 1.00 9.65 C ATOM 0 H THR A 22 5.981 3.756 -8.014 1.00 5.37 H new ATOM 0 HA THR A 22 5.802 4.723 -5.440 1.00 6.01 H new ATOM 0 HB THR A 22 3.941 6.110 -6.331 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.435 6.037 -8.542 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.403 7.188 -8.121 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.365 6.687 -6.710 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.365 5.692 -8.185 1.00 9.65 H new ATOM 353 N ILE A 23 3.440 4.402 -4.564 1.00 8.32 N ATOM 354 CA ILE A 23 2.344 3.903 -3.683 1.00 9.92 C ATOM 355 C ILE A 23 1.048 3.636 -4.483 1.00 10.01 C ATOM 356 O ILE A 23 0.331 2.694 -4.255 1.00 8.71 O ATOM 357 CB ILE A 23 2.146 4.922 -2.606 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.262 4.948 -1.579 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.792 4.911 -1.901 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.403 3.798 -0.563 1.00 12.30 C ATOM 0 H ILE A 23 3.746 5.342 -4.313 1.00 8.32 H new ATOM 0 HA ILE A 23 2.613 2.943 -3.241 1.00 9.92 H new ATOM 0 HB ILE A 23 2.172 5.846 -3.183 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.203 5.015 -2.125 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.157 5.872 -1.010 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.770 5.694 -1.143 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.001 5.089 -2.629 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.637 3.942 -1.427 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.255 3.991 0.089 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.496 3.729 0.037 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.558 2.859 -1.095 1.00 12.30 H new ATOM 372 N GLU A 24 0.770 4.471 -5.506 1.00 9.54 N ATOM 373 CA GLU A 24 -0.267 4.166 -6.455 1.00 11.81 C ATOM 374 C GLU A 24 -0.118 2.854 -7.270 1.00 11.14 C ATOM 375 O GLU A 24 -1.055 2.196 -7.558 1.00 10.62 O ATOM 376 CB GLU A 24 -0.213 5.329 -7.440 1.00 19.24 C ATOM 377 CG GLU A 24 -1.203 5.382 -8.585 1.00 27.76 C ATOM 378 CD GLU A 24 -0.966 6.487 -9.586 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.130 6.470 -10.213 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.842 7.344 -9.881 1.00 34.80 O ATOM 0 H GLU A 24 1.258 5.350 -5.677 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.194 4.026 -5.899 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.327 6.249 -6.866 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.788 5.345 -7.872 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.180 4.427 -9.109 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.206 5.495 -8.173 1.00 27.76 H new ATOM 387 N ASN A 25 1.110 2.467 -7.684 1.00 9.43 N ATOM 388 CA ASN A 25 1.511 1.262 -8.324 1.00 10.96 C ATOM 389 C ASN A 25 1.340 0.026 -7.381 1.00 9.68 C ATOM 390 O ASN A 25 0.860 -1.020 -7.796 1.00 9.33 O ATOM 391 CB ASN A 25 3.102 1.342 -8.714 1.00 16.78 C ATOM 392 CG ASN A 25 3.570 0.510 -9.896 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.645 -0.689 -9.758 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.836 1.161 -11.009 1.00 24.70 N ATOM 0 H ASN A 25 1.910 3.085 -7.547 1.00 9.43 H new ATOM 0 HA ASN A 25 0.883 1.147 -9.208 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.348 2.384 -8.916 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.680 1.042 -7.840 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.131 0.650 -11.841 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.747 2.177 -11.039 1.00 24.70 H new ATOM 401 N VAL A 26 1.632 0.198 -6.031 1.00 6.52 N ATOM 402 CA VAL A 26 1.246 -0.754 -5.003 1.00 5.53 C ATOM 403 C VAL A 26 -0.222 -0.845 -4.817 1.00 4.42 C ATOM 404 O VAL A 26 -0.718 -1.927 -4.869 1.00 3.40 O ATOM 405 CB VAL A 26 1.894 -0.488 -3.651 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.527 -1.528 -2.615 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.407 -0.286 -3.759 1.00 8.12 C ATOM 0 H VAL A 26 2.138 1.006 -5.670 1.00 6.52 H new ATOM 0 HA VAL A 26 1.617 -1.706 -5.382 1.00 5.53 H new ATOM 0 HB VAL A 26 1.479 0.456 -3.297 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.016 -1.289 -1.671 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.446 -1.534 -2.472 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.854 -2.511 -2.955 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.821 -0.100 -2.768 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.864 -1.181 -4.181 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.615 0.567 -4.405 1.00 8.12 H new ATOM 417 N LYS A 27 -1.016 0.264 -4.779 1.00 2.64 N ATOM 418 CA LYS A 27 -2.505 0.226 -4.827 1.00 4.14 C ATOM 419 C LYS A 27 -3.140 -0.480 -5.999 1.00 5.58 C ATOM 420 O LYS A 27 -4.029 -1.358 -5.923 1.00 4.11 O ATOM 421 CB LYS A 27 -3.120 1.636 -4.605 1.00 3.97 C ATOM 422 CG LYS A 27 -2.876 2.345 -3.247 1.00 7.45 C ATOM 423 CD LYS A 27 -3.148 3.852 -3.279 1.00 9.02 C ATOM 424 CE LYS A 27 -3.113 4.415 -1.881 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.643 5.764 -1.810 1.00 15.47 N ATOM 0 H LYS A 27 -0.639 1.210 -4.714 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.759 -0.422 -3.988 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.744 2.289 -5.392 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.198 1.554 -4.747 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.511 1.887 -2.489 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.843 2.178 -2.941 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.403 4.351 -3.899 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.120 4.044 -3.733 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.687 3.768 -1.218 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.085 4.413 -1.518 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.199 5.873 -0.938 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -2.858 6.446 -1.808 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.253 5.941 -2.634 1.00 15.47 H new ATOM 439 N ALA A 28 -2.538 -0.268 -7.201 1.00 6.61 N ATOM 440 CA ALA A 28 -2.852 -0.928 -8.440 1.00 7.74 C ATOM 441 C ALA A 28 -2.684 -2.467 -8.462 1.00 9.17 C ATOM 442 O ALA A 28 -3.306 -3.274 -9.202 1.00 11.45 O ATOM 443 CB ALA A 28 -2.133 -0.101 -9.571 1.00 7.68 C ATOM 0 H ALA A 28 -1.783 0.410 -7.307 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.927 -0.914 -8.617 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.336 -0.557 -10.540 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.506 0.923 -9.566 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.058 -0.096 -9.391 1.00 7.68 H new ATOM 449 N LYS A 29 -1.681 -2.883 -7.685 1.00 8.96 N ATOM 450 CA LYS A 29 -1.268 -4.258 -7.467 1.00 7.90 C ATOM 451 C LYS A 29 -2.083 -5.009 -6.381 1.00 6.92 C ATOM 452 O LYS A 29 -2.405 -6.188 -6.568 1.00 6.87 O ATOM 453 CB LYS A 29 0.215 -4.207 -7.131 1.00 10.28 C ATOM 454 CG LYS A 29 0.889 -5.526 -7.302 1.00 14.94 C ATOM 455 CD LYS A 29 2.444 -5.472 -7.468 1.00 19.69 C ATOM 456 CE LYS A 29 2.861 -4.894 -8.856 1.00 22.63 C ATOM 457 NZ LYS A 29 4.277 -5.144 -9.059 1.00 24.98 N ATOM 0 H LYS A 29 -1.105 -2.223 -7.163 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.461 -4.839 -8.369 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.703 -3.469 -7.768 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.339 -3.871 -6.102 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.655 -6.149 -6.439 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.465 -6.020 -8.176 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.873 -4.858 -6.676 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.856 -6.474 -7.353 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.278 -5.360 -9.650 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.657 -3.824 -8.896 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.785 -4.238 -9.112 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.648 -5.703 -8.265 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.413 -5.670 -9.946 1.00 24.98 H new ATOM 471 N ILE A 30 -2.477 -4.295 -5.293 1.00 4.57 N ATOM 472 CA ILE A 30 -3.605 -4.688 -4.437 1.00 5.58 C ATOM 473 C ILE A 30 -4.928 -4.834 -5.231 1.00 7.26 C ATOM 474 O ILE A 30 -5.647 -5.807 -5.072 1.00 9.46 O ATOM 475 CB ILE A 30 -3.819 -3.822 -3.170 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.585 -3.828 -2.283 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.988 -4.430 -2.372 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.729 -2.894 -1.093 1.00 2.00 C ATOM 0 H ILE A 30 -2.017 -3.435 -4.994 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.305 -5.668 -4.066 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.024 -2.796 -3.474 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.400 -4.842 -1.927 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.716 -3.533 -2.871 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.161 -3.839 -1.473 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.888 -4.428 -2.987 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.743 -5.454 -2.091 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.823 -2.932 -0.489 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.886 -1.875 -1.447 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.582 -3.204 -0.489 1.00 2.00 H new ATOM 490 N GLN A 31 -5.189 -3.934 -6.228 1.00 7.06 N ATOM 491 CA GLN A 31 -6.270 -4.066 -7.109 1.00 8.67 C ATOM 492 C GLN A 31 -6.208 -5.361 -7.877 1.00 10.90 C ATOM 493 O GLN A 31 -7.171 -6.066 -8.003 1.00 9.63 O ATOM 494 CB GLN A 31 -6.433 -2.836 -8.050 1.00 9.12 C ATOM 495 CG GLN A 31 -7.695 -2.996 -8.959 1.00 10.76 C ATOM 496 CD GLN A 31 -7.804 -1.813 -9.900 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.825 -1.327 -10.521 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.046 -1.382 -10.166 1.00 14.76 N ATOM 0 H GLN A 31 -4.617 -3.107 -6.399 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.169 -4.097 -6.493 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.520 -1.927 -7.455 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.544 -2.727 -8.671 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.628 -3.922 -9.530 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.592 -3.066 -8.343 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.841 -1.776 -9.663 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.195 -0.661 -10.872 1.00 14.76 H new ATOM 507 N ASP A 32 -5.001 -5.626 -8.340 1.00 10.93 N ATOM 508 CA ASP A 32 -4.697 -6.908 -9.028 1.00 14.01 C ATOM 509 C ASP A 32 -4.952 -8.184 -8.162 1.00 14.04 C ATOM 510 O ASP A 32 -5.516 -9.171 -8.655 1.00 13.39 O ATOM 511 CB ASP A 32 -3.325 -6.816 -9.774 1.00 18.01 C ATOM 512 CG ASP A 32 -3.293 -7.613 -11.120 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.125 -7.319 -11.982 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.470 -8.564 -11.350 1.00 26.29 O ATOM 0 H ASP A 32 -4.208 -4.989 -8.263 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.438 -7.061 -9.813 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.099 -5.769 -9.975 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.538 -7.192 -9.120 1.00 18.01 H new ATOM 519 N LYS A 33 -4.635 -8.194 -6.852 1.00 14.22 N ATOM 520 CA LYS A 33 -4.913 -9.252 -5.931 1.00 14.00 C ATOM 521 C LYS A 33 -6.401 -9.317 -5.481 1.00 12.37 C ATOM 522 O LYS A 33 -7.067 -10.314 -5.607 1.00 12.17 O ATOM 523 CB LYS A 33 -4.075 -9.235 -4.679 1.00 18.62 C ATOM 524 CG LYS A 33 -2.610 -9.324 -5.004 1.00 24.00 C ATOM 525 CD LYS A 33 -2.260 -10.645 -5.671 1.00 27.61 C ATOM 526 CE LYS A 33 -0.730 -10.893 -5.592 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.353 -12.125 -6.212 1.00 30.06 N ATOM 0 H LYS A 33 -4.153 -7.411 -6.410 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.658 -10.132 -6.522 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.271 -8.320 -4.119 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.359 -10.069 -4.037 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.333 -8.500 -5.661 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.027 -9.213 -4.090 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.794 -11.460 -5.183 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.581 -10.632 -6.713 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.204 -10.069 -6.074 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.418 -10.903 -4.548 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.677 -12.251 -6.136 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.834 -12.915 -5.736 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.627 -12.107 -7.215 1.00 30.06 H new ATOM 541 N GLU A 34 -6.923 -8.227 -4.964 1.00 10.11 N ATOM 542 CA GLU A 34 -8.083 -8.171 -4.146 1.00 10.07 C ATOM 543 C GLU A 34 -9.196 -7.438 -4.754 1.00 9.32 C ATOM 544 O GLU A 34 -10.189 -7.097 -4.107 1.00 11.61 O ATOM 545 CB GLU A 34 -7.637 -7.315 -2.855 1.00 14.77 C ATOM 546 CG GLU A 34 -6.558 -8.031 -1.977 1.00 18.75 C ATOM 547 CD GLU A 34 -7.176 -9.299 -1.402 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.087 -9.193 -0.622 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.768 -10.417 -1.819 1.00 25.19 O ATOM 0 H GLU A 34 -6.513 -7.307 -5.122 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.425 -9.188 -3.951 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.246 -6.352 -3.184 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.515 -7.110 -2.243 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.681 -8.274 -2.576 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.224 -7.373 -1.174 1.00 18.75 H new ATOM 556 N GLY A 35 -9.042 -7.104 -6.042 1.00 7.22 N ATOM 557 CA GLY A 35 -10.107 -6.393 -6.821 1.00 6.29 C ATOM 558 C GLY A 35 -10.565 -5.036 -6.301 1.00 6.93 C ATOM 559 O GLY A 35 -11.617 -4.626 -6.659 1.00 7.41 O ATOM 0 H GLY A 35 -8.199 -7.307 -6.580 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.746 -6.259 -7.841 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -10.978 -7.046 -6.874 1.00 6.29 H new ATOM 563 N ILE A 36 -9.777 -4.342 -5.483 1.00 5.86 N ATOM 564 CA ILE A 36 -10.206 -3.069 -4.836 1.00 6.07 C ATOM 565 C ILE A 36 -9.684 -1.955 -5.674 1.00 6.36 C ATOM 566 O ILE A 36 -8.474 -1.896 -5.865 1.00 6.18 O ATOM 567 CB ILE A 36 -9.567 -2.970 -3.455 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.974 -4.264 -2.614 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.041 -1.652 -2.811 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.385 -4.131 -1.198 1.00 9.49 C ATOM 0 H ILE A 36 -8.829 -4.629 -5.241 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.291 -3.027 -4.742 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.478 -2.947 -3.498 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.059 -4.359 -2.566 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.597 -5.165 -3.098 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.600 -1.552 -1.819 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.731 -0.812 -3.432 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.128 -1.659 -2.725 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.654 -5.008 -0.608 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.300 -4.055 -1.261 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.784 -3.236 -0.720 1.00 9.49 H new ATOM 582 N PRO A 37 -10.424 -1.025 -6.273 1.00 8.65 N ATOM 583 CA PRO A 37 -9.908 0.208 -6.823 1.00 9.18 C ATOM 584 C PRO A 37 -8.799 1.000 -6.042 1.00 9.85 C ATOM 585 O PRO A 37 -8.990 1.162 -4.847 1.00 8.51 O ATOM 586 CB PRO A 37 -11.157 1.084 -6.835 1.00 11.42 C ATOM 587 CG PRO A 37 -12.259 0.083 -7.137 1.00 9.27 C ATOM 588 CD PRO A 37 -11.898 -1.133 -6.275 1.00 8.33 C ATOM 0 HA PRO A 37 -9.403 -0.034 -7.758 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.312 1.582 -5.878 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.098 1.864 -7.594 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.241 0.479 -6.878 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.288 -0.172 -8.196 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.321 -1.072 -5.272 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.246 -2.070 -6.711 1.00 8.33 H new ATOM 596 N PRO A 38 -7.758 1.572 -6.669 1.00 8.71 N ATOM 597 CA PRO A 38 -6.827 2.432 -5.906 1.00 9.08 C ATOM 598 C PRO A 38 -7.443 3.615 -5.144 1.00 9.28 C ATOM 599 O PRO A 38 -6.988 3.876 -4.010 1.00 6.50 O ATOM 600 CB PRO A 38 -5.827 2.928 -6.989 1.00 10.31 C ATOM 601 CG PRO A 38 -5.718 1.607 -7.802 1.00 10.81 C ATOM 602 CD PRO A 38 -7.185 1.123 -7.911 1.00 12.00 C ATOM 0 HA PRO A 38 -6.387 1.855 -5.093 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.215 3.759 -7.578 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.873 3.251 -6.572 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.278 1.776 -8.785 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.091 0.874 -7.294 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.692 1.558 -8.772 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.247 0.040 -8.018 1.00 12.00 H new ATOM 610 N ASP A 39 -8.557 4.155 -5.600 1.00 11.20 N ATOM 611 CA ASP A 39 -9.368 5.162 -4.899 1.00 14.96 C ATOM 612 C ASP A 39 -9.970 4.655 -3.642 1.00 13.99 C ATOM 613 O ASP A 39 -10.436 5.449 -2.817 1.00 13.75 O ATOM 614 CB ASP A 39 -10.497 5.535 -5.812 1.00 24.16 C ATOM 615 CG ASP A 39 -9.883 6.011 -7.137 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.692 5.129 -7.992 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.642 7.258 -7.334 1.00 35.55 O ATOM 0 H ASP A 39 -8.948 3.900 -6.507 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.716 5.997 -4.643 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.153 4.681 -5.979 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.106 6.322 -5.367 1.00 24.16 H new ATOM 622 N GLN A 40 -10.139 3.405 -3.392 1.00 11.60 N ATOM 623 CA GLN A 40 -10.806 2.871 -2.175 1.00 10.76 C ATOM 624 C GLN A 40 -9.776 2.522 -1.103 1.00 8.01 C ATOM 625 O GLN A 40 -10.075 1.944 -0.065 1.00 8.96 O ATOM 626 CB GLN A 40 -11.613 1.603 -2.500 1.00 11.14 C ATOM 627 CG GLN A 40 -12.969 1.988 -3.220 1.00 14.85 C ATOM 628 CD GLN A 40 -13.775 0.820 -3.771 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.702 -0.286 -3.226 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.552 1.159 -4.849 1.00 18.16 N ATOM 0 H GLN A 40 -9.820 2.672 -4.026 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.476 3.648 -1.808 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.027 0.944 -3.141 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.823 1.052 -1.583 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.593 2.535 -2.513 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.743 2.670 -4.040 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.529 2.111 -5.215 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.153 0.459 -5.285 1.00 18.16 H new ATOM 639 N GLN A 41 -8.456 2.837 -1.333 1.00 6.52 N ATOM 640 CA GLN A 41 -7.307 2.404 -0.539 1.00 3.87 C ATOM 641 C GLN A 41 -6.588 3.564 0.061 1.00 4.79 C ATOM 642 O GLN A 41 -6.279 4.619 -0.505 1.00 6.34 O ATOM 643 CB GLN A 41 -6.366 1.623 -1.507 1.00 4.20 C ATOM 644 CG GLN A 41 -7.012 0.440 -2.204 1.00 3.20 C ATOM 645 CD GLN A 41 -5.987 -0.304 -3.094 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.845 -0.407 -2.649 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.378 -0.831 -4.264 1.00 7.13 N ATOM 0 H GLN A 41 -8.179 3.427 -2.118 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.634 1.778 0.291 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.992 2.313 -2.264 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.502 1.268 -0.944 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.421 -0.246 -1.462 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.847 0.784 -2.814 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.340 -0.712 -4.581 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.713 -1.351 -4.837 1.00 7.13 H new ATOM 656 N ARG A 42 -6.245 3.475 1.342 1.00 5.73 N ATOM 657 CA ARG A 42 -5.287 4.241 2.027 1.00 6.97 C ATOM 658 C ARG A 42 -4.253 3.296 2.702 1.00 7.15 C ATOM 659 O ARG A 42 -4.595 2.350 3.392 1.00 7.33 O ATOM 660 CB ARG A 42 -5.968 5.013 3.119 1.00 13.23 C ATOM 661 CG ARG A 42 -6.788 6.199 2.487 1.00 21.27 C ATOM 662 CD ARG A 42 -7.185 7.228 3.562 1.00 26.14 C ATOM 663 NE ARG A 42 -7.510 8.497 2.840 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.277 9.489 3.291 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.932 9.331 4.432 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.507 10.664 2.673 1.00 36.39 N ATOM 0 H ARG A 42 -6.689 2.793 1.957 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.794 4.910 1.321 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.631 4.358 3.684 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.229 5.400 3.821 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.193 6.686 1.714 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.683 5.810 2.003 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.043 6.878 4.135 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.371 7.383 4.270 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.105 8.615 1.911 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.845 8.458 4.953 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.523 10.082 4.789 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.074 10.859 1.770 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.114 11.359 3.108 1.00 36.39 H new ATOM 680 N LEU A 43 -2.978 3.682 2.496 1.00 4.65 N ATOM 681 CA LEU A 43 -1.918 2.759 2.856 1.00 3.51 C ATOM 682 C LEU A 43 -1.111 3.414 4.011 1.00 5.56 C ATOM 683 O LEU A 43 -0.897 4.615 4.048 1.00 4.19 O ATOM 684 CB LEU A 43 -0.980 2.492 1.647 1.00 3.74 C ATOM 685 CG LEU A 43 -1.553 1.701 0.413 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.437 1.258 -0.569 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.393 0.457 0.844 1.00 6.41 C ATOM 0 H LEU A 43 -2.681 4.576 2.105 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.342 1.803 3.162 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.622 3.456 1.286 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.111 1.947 2.016 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.211 2.400 -0.102 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.881 0.716 -1.404 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.087 2.137 -0.944 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.268 0.609 -0.050 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.766 -0.055 -0.043 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.766 -0.224 1.419 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.234 0.781 1.457 1.00 6.41 H new ATOM 699 N ILE A 44 -0.825 2.586 5.021 1.00 4.58 N ATOM 700 CA ILE A 44 -0.139 2.955 6.287 1.00 5.55 C ATOM 701 C ILE A 44 1.170 2.172 6.344 1.00 5.46 C ATOM 702 O ILE A 44 1.206 0.969 6.299 1.00 6.04 O ATOM 703 CB ILE A 44 -0.882 2.736 7.574 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.176 3.538 7.538 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.039 3.123 8.831 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.979 3.331 8.815 1.00 13.90 C ATOM 0 H ILE A 44 -1.071 1.597 4.988 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.021 4.037 6.236 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.096 1.671 7.662 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.949 4.597 7.414 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.772 3.237 6.676 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.626 2.944 9.732 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.867 2.518 8.862 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.231 4.178 8.777 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.899 3.914 8.765 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.225 2.275 8.923 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.389 3.656 9.672 1.00 13.90 H new ATOM 718 N PHE A 45 2.285 2.902 6.499 1.00 6.75 N ATOM 719 CA PHE A 45 3.569 2.297 6.915 1.00 4.70 C ATOM 720 C PHE A 45 3.966 3.006 8.227 1.00 6.34 C ATOM 721 O PHE A 45 3.978 4.252 8.307 1.00 5.45 O ATOM 722 CB PHE A 45 4.671 2.471 5.849 1.00 5.51 C ATOM 723 CG PHE A 45 5.956 1.902 6.198 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.093 0.552 6.506 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.145 2.690 6.351 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.286 -0.036 6.913 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.368 2.135 6.763 1.00 6.64 C ATOM 728 CZ PHE A 45 8.406 0.739 7.058 1.00 6.84 C ATOM 0 H PHE A 45 2.328 3.909 6.344 1.00 6.75 H new ATOM 0 HA PHE A 45 3.456 1.221 7.049 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.330 2.017 4.919 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.803 3.535 5.655 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.220 -0.078 6.424 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.098 3.749 6.142 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.329 -1.096 7.113 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.253 2.747 6.854 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.327 0.289 7.399 1.00 6.84 H new ATOM 738 N ALA A 46 4.308 2.206 9.256 1.00 6.53 N ATOM 739 CA ALA A 46 4.955 2.635 10.474 1.00 7.15 C ATOM 740 C ALA A 46 4.409 3.874 11.160 1.00 9.00 C ATOM 741 O ALA A 46 5.234 4.747 11.505 1.00 11.15 O ATOM 742 CB ALA A 46 6.470 2.663 10.368 1.00 8.99 C ATOM 0 H ALA A 46 4.125 1.203 9.243 1.00 6.53 H new ATOM 0 HA ALA A 46 4.673 1.836 11.159 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.895 2.994 11.316 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.837 1.663 10.135 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.767 3.352 9.577 1.00 8.99 H new ATOM 748 N GLY A 47 3.046 3.918 11.387 1.00 9.35 N ATOM 749 CA GLY A 47 2.234 4.989 11.902 1.00 11.68 C ATOM 750 C GLY A 47 1.993 6.208 10.938 1.00 11.14 C ATOM 751 O GLY A 47 1.374 7.178 11.322 1.00 13.93 O ATOM 0 H GLY A 47 2.471 3.101 11.179 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.264 4.578 12.183 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.699 5.362 12.815 1.00 11.68 H new ATOM 755 N LYS A 48 2.570 6.226 9.733 1.00 10.47 N ATOM 756 CA LYS A 48 2.493 7.286 8.787 1.00 8.82 C ATOM 757 C LYS A 48 1.515 6.934 7.707 1.00 7.68 C ATOM 758 O LYS A 48 1.518 5.868 7.100 1.00 6.47 O ATOM 759 CB LYS A 48 3.884 7.494 8.218 1.00 9.74 C ATOM 760 CG LYS A 48 4.063 8.892 7.566 1.00 14.14 C ATOM 761 CD LYS A 48 5.281 8.922 6.557 1.00 16.32 C ATOM 762 CE LYS A 48 6.677 8.449 7.081 1.00 20.04 C ATOM 763 NZ LYS A 48 7.184 9.356 8.180 1.00 23.92 N ATOM 0 H LYS A 48 3.131 5.444 9.395 1.00 10.47 H new ATOM 0 HA LYS A 48 2.145 8.206 9.257 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.619 7.372 9.013 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.087 6.723 7.475 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.149 9.167 7.040 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.219 9.638 8.345 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.019 8.304 5.698 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.389 9.944 6.193 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.601 7.428 7.454 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.392 8.435 6.258 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.111 9.019 8.508 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.278 10.325 7.815 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 6.512 9.349 8.974 1.00 23.92 H new ATOM 777 N GLN A 49 0.768 7.934 7.300 1.00 8.89 N ATOM 778 CA GLN A 49 -0.111 7.818 6.103 1.00 7.18 C ATOM 779 C GLN A 49 0.739 8.234 4.937 1.00 8.23 C ATOM 780 O GLN A 49 1.542 9.147 5.058 1.00 9.70 O ATOM 781 CB GLN A 49 -1.286 8.813 6.285 1.00 11.67 C ATOM 782 CG GLN A 49 -2.181 8.324 7.461 1.00 15.82 C ATOM 783 CD GLN A 49 -3.326 9.328 7.650 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.473 8.933 7.407 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.049 10.518 8.185 1.00 20.67 N ATOM 0 H GLN A 49 0.734 8.843 7.761 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.512 6.815 5.958 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.905 9.813 6.492 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.871 8.878 5.368 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.578 7.332 7.248 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.594 8.242 8.376 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.080 10.785 8.361 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.806 11.161 8.418 1.00 20.67 H new ATOM 794 N LEU A 50 0.602 7.581 3.757 1.00 6.51 N ATOM 795 CA LEU A 50 1.638 7.648 2.709 1.00 7.41 C ATOM 796 C LEU A 50 1.012 8.205 1.428 1.00 8.27 C ATOM 797 O LEU A 50 -0.174 8.096 1.087 1.00 8.34 O ATOM 798 CB LEU A 50 2.237 6.246 2.341 1.00 7.13 C ATOM 799 CG LEU A 50 2.525 5.355 3.553 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.664 3.917 3.028 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.640 5.834 4.584 1.00 9.11 C ATOM 0 H LEU A 50 -0.207 7.010 3.513 1.00 6.51 H new ATOM 0 HA LEU A 50 2.436 8.277 3.104 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.543 5.728 1.679 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.162 6.392 1.782 1.00 7.13 H new ATOM 0 HG LEU A 50 1.678 5.429 4.235 1.00 7.53 H new ATOM 0 HD11 LEU A 50 2.871 3.244 3.860 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.737 3.617 2.540 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.483 3.869 2.311 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.731 5.103 5.387 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.596 5.928 4.068 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.357 6.800 5.003 1.00 9.11 H new ATOM 813 N GLU A 51 1.886 8.880 0.620 1.00 9.43 N ATOM 814 CA GLU A 51 1.551 9.746 -0.484 1.00 11.90 C ATOM 815 C GLU A 51 1.718 9.017 -1.842 1.00 11.49 C ATOM 816 O GLU A 51 2.734 8.364 -2.053 1.00 9.88 O ATOM 817 CB GLU A 51 2.538 10.971 -0.504 1.00 16.56 C ATOM 818 CG GLU A 51 2.191 11.935 0.720 1.00 26.06 C ATOM 819 CD GLU A 51 0.765 12.483 0.596 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.510 13.347 -0.252 1.00 33.44 O ATOM 821 OE2 GLU A 51 -0.063 12.123 1.445 1.00 32.13 O ATOM 0 H GLU A 51 2.894 8.809 0.756 1.00 9.43 H new ATOM 0 HA GLU A 51 0.515 10.059 -0.352 1.00 11.90 H new ATOM 0 HB2 GLU A 51 3.569 10.625 -0.431 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.449 11.511 -1.446 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.295 11.390 1.658 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.901 12.761 0.750 1.00 26.06 H new ATOM 828 N ASP A 52 0.683 9.115 -2.762 1.00 12.71 N ATOM 829 CA ASP A 52 0.535 8.237 -3.888 1.00 16.56 C ATOM 830 C ASP A 52 1.668 8.291 -4.926 1.00 15.83 C ATOM 831 O ASP A 52 2.071 7.251 -5.416 1.00 17.21 O ATOM 832 CB ASP A 52 -0.885 8.476 -4.517 1.00 21.05 C ATOM 833 CG ASP A 52 -1.989 8.384 -3.505 1.00 25.12 C ATOM 834 OD1 ASP A 52 -1.795 7.513 -2.562 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.933 9.196 -3.562 1.00 28.37 O ATOM 0 H ASP A 52 -0.049 9.823 -2.700 1.00 12.71 H new ATOM 0 HA ASP A 52 0.616 7.216 -3.516 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.909 9.459 -4.987 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.057 7.742 -5.304 1.00 21.05 H new ATOM 840 N GLY A 53 2.271 9.482 -5.185 1.00 15.00 N ATOM 841 CA GLY A 53 3.427 9.586 -6.019 1.00 11.77 C ATOM 842 C GLY A 53 4.741 9.202 -5.440 1.00 11.10 C ATOM 843 O GLY A 53 5.778 9.167 -6.070 1.00 11.25 O ATOM 0 H GLY A 53 1.947 10.373 -4.809 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.258 8.970 -6.902 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.501 10.619 -6.360 1.00 11.77 H new ATOM 847 N ARG A 54 4.848 8.959 -4.158 1.00 8.53 N ATOM 848 CA ARG A 54 6.104 8.637 -3.437 1.00 9.05 C ATOM 849 C ARG A 54 6.578 7.198 -3.619 1.00 8.96 C ATOM 850 O ARG A 54 5.737 6.277 -3.638 1.00 11.60 O ATOM 851 CB ARG A 54 6.054 8.904 -1.979 1.00 7.97 C ATOM 852 CG ARG A 54 6.207 10.402 -1.605 1.00 9.62 C ATOM 853 CD ARG A 54 7.569 11.044 -1.529 1.00 12.20 C ATOM 854 NE ARG A 54 7.445 12.406 -0.988 1.00 18.23 N ATOM 855 CZ ARG A 54 8.481 13.225 -0.624 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.718 12.735 -0.436 1.00 25.50 N ATOM 857 NH2 ARG A 54 8.234 14.513 -0.274 1.00 23.38 N ATOM 0 H ARG A 54 4.038 8.975 -3.539 1.00 8.53 H new ATOM 0 HA ARG A 54 6.814 9.317 -3.908 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.106 8.537 -1.585 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.844 8.335 -1.489 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.624 10.973 -2.327 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.734 10.539 -0.633 1.00 9.62 H new ATOM 0 HD2 ARG A 54 8.227 10.449 -0.896 1.00 12.20 H new ATOM 0 HD3 ARG A 54 8.023 11.076 -2.520 1.00 12.20 H new ATOM 0 HE ARG A 54 6.501 12.775 -0.873 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.897 11.739 -0.564 1.00 25.50 H new ATOM 0 HH12 ARG A 54 10.478 13.359 -0.165 1.00 25.50 H new ATOM 0 HH21 ARG A 54 7.278 14.869 -0.282 1.00 23.38 H new ATOM 0 HH22 ARG A 54 9.004 15.124 -0.003 1.00 23.38 H new ATOM 871 N THR A 55 7.900 6.979 -3.772 1.00 9.05 N ATOM 872 CA THR A 55 8.380 5.644 -3.994 1.00 9.03 C ATOM 873 C THR A 55 8.800 4.960 -2.702 1.00 8.15 C ATOM 874 O THR A 55 8.986 5.606 -1.663 1.00 5.91 O ATOM 875 CB THR A 55 9.684 5.542 -4.901 1.00 11.15 C ATOM 876 OG1 THR A 55 10.725 6.360 -4.446 1.00 11.95 O ATOM 877 CG2 THR A 55 9.334 6.066 -6.284 1.00 11.71 C ATOM 0 H THR A 55 8.619 7.702 -3.744 1.00 9.05 H new ATOM 0 HA THR A 55 7.525 5.177 -4.482 1.00 9.03 H new ATOM 0 HB THR A 55 10.005 4.500 -4.885 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.553 5.838 -4.394 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.211 6.008 -6.928 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.531 5.463 -6.709 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.008 7.103 -6.208 1.00 11.71 H new ATOM 885 N LEU A 56 8.878 3.646 -2.726 1.00 6.91 N ATOM 886 CA LEU A 56 9.351 2.733 -1.693 1.00 8.29 C ATOM 887 C LEU A 56 10.757 3.030 -1.177 1.00 8.05 C ATOM 888 O LEU A 56 11.008 3.050 0.032 1.00 10.17 O ATOM 889 CB LEU A 56 9.289 1.335 -2.317 1.00 6.60 C ATOM 890 CG LEU A 56 7.881 0.769 -2.539 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.856 -0.319 -3.623 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.326 0.358 -1.145 1.00 8.64 C ATOM 0 H LEU A 56 8.581 3.132 -3.556 1.00 6.91 H new ATOM 0 HA LEU A 56 8.720 2.837 -0.810 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.805 1.362 -3.276 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.841 0.647 -1.677 1.00 6.60 H new ATOM 0 HG LEU A 56 7.206 1.517 -2.954 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.838 -0.689 -3.744 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.204 0.100 -4.567 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.508 -1.141 -3.328 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.322 -0.051 -1.259 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.977 -0.396 -0.702 1.00 8.64 H new ATOM 0 HD23 LEU A 56 7.290 1.233 -0.496 1.00 8.64 H new ATOM 904 N SER A 57 11.663 3.354 -2.163 1.00 8.92 N ATOM 905 CA SER A 57 12.983 3.832 -1.941 1.00 9.00 C ATOM 906 C SER A 57 13.099 5.127 -1.172 1.00 9.44 C ATOM 907 O SER A 57 13.935 5.339 -0.322 1.00 10.91 O ATOM 908 CB SER A 57 13.916 3.909 -3.201 1.00 10.32 C ATOM 909 OG SER A 57 13.420 4.811 -4.188 1.00 13.59 O ATOM 0 H SER A 57 11.438 3.269 -3.154 1.00 8.92 H new ATOM 0 HA SER A 57 13.347 3.026 -1.305 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.913 4.223 -2.893 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.016 2.915 -3.638 1.00 10.32 H new ATOM 0 HG SER A 57 14.033 4.828 -4.953 1.00 13.59 H new ATOM 915 N ASP A 58 12.219 6.144 -1.465 1.00 9.11 N ATOM 916 CA ASP A 58 11.965 7.348 -0.647 1.00 7.91 C ATOM 917 C ASP A 58 11.592 6.986 0.755 1.00 9.12 C ATOM 918 O ASP A 58 12.105 7.518 1.748 1.00 8.61 O ATOM 919 CB ASP A 58 10.860 8.233 -1.390 1.00 8.41 C ATOM 920 CG ASP A 58 10.881 9.706 -1.100 1.00 11.50 C ATOM 921 OD1 ASP A 58 10.987 10.135 0.067 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.629 10.438 -2.057 1.00 11.70 O ATOM 0 H ASP A 58 11.654 6.131 -2.314 1.00 9.11 H new ATOM 0 HA ASP A 58 12.873 7.943 -0.552 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.977 8.094 -2.465 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.876 7.846 -1.124 1.00 8.41 H new ATOM 927 N TYR A 59 10.662 6.033 1.041 1.00 7.97 N ATOM 928 CA TYR A 59 10.221 5.778 2.394 1.00 8.45 C ATOM 929 C TYR A 59 11.123 4.836 3.182 1.00 10.98 C ATOM 930 O TYR A 59 10.819 4.392 4.302 1.00 12.95 O ATOM 931 CB TYR A 59 8.799 5.172 2.441 1.00 7.94 C ATOM 932 CG TYR A 59 7.698 6.198 2.153 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.552 7.346 3.013 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.771 6.041 1.126 1.00 6.98 C ATOM 935 CE1 TYR A 59 6.470 8.239 2.815 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.716 6.942 0.927 1.00 6.52 C ATOM 937 CZ TYR A 59 5.620 8.110 1.754 1.00 6.76 C ATOM 938 OH TYR A 59 4.645 9.054 1.372 1.00 7.63 O ATOM 0 H TYR A 59 10.219 5.443 0.337 1.00 7.97 H new ATOM 0 HA TYR A 59 10.248 6.766 2.854 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.732 4.362 1.715 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.630 4.733 3.424 1.00 7.94 H new ATOM 0 HD1 TYR A 59 8.264 7.524 3.805 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.868 5.196 0.460 1.00 6.98 H new ATOM 0 HE1 TYR A 59 6.314 9.042 3.521 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.981 6.758 0.157 1.00 6.52 H new ATOM 0 HH TYR A 59 4.946 9.953 1.620 1.00 7.63 H new ATOM 948 N ASN A 60 12.309 4.488 2.639 1.00 12.38 N ATOM 949 CA ASN A 60 13.329 3.548 3.086 1.00 13.94 C ATOM 950 C ASN A 60 12.741 2.183 3.358 1.00 14.16 C ATOM 951 O ASN A 60 13.013 1.553 4.403 1.00 14.26 O ATOM 952 CB ASN A 60 14.033 4.151 4.365 1.00 19.23 C ATOM 953 CG ASN A 60 15.416 3.453 4.534 1.00 22.65 C ATOM 954 OD1 ASN A 60 16.020 2.850 3.695 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.931 3.648 5.823 1.00 24.09 N ATOM 0 H ASN A 60 12.599 4.924 1.763 1.00 12.38 H new ATOM 0 HA ASN A 60 14.070 3.406 2.299 1.00 13.94 H new ATOM 0 HB2 ASN A 60 14.161 5.228 4.256 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.416 3.991 5.249 1.00 19.23 H new ATOM 0 HD21 ASN A 60 16.846 3.271 6.069 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.390 4.167 6.515 1.00 24.09 H new ATOM 962 N ILE A 61 11.897 1.698 2.440 1.00 11.08 N ATOM 963 CA ILE A 61 11.142 0.424 2.653 1.00 11.78 C ATOM 964 C ILE A 61 12.046 -0.675 2.124 1.00 13.74 C ATOM 965 O ILE A 61 12.837 -0.354 1.229 1.00 14.60 O ATOM 966 CB ILE A 61 9.782 0.380 2.005 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.868 1.216 2.856 1.00 11.56 C ATOM 968 CG2 ILE A 61 9.114 -1.017 1.801 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.526 1.664 2.243 1.00 11.42 C ATOM 0 H ILE A 61 11.710 2.152 1.546 1.00 11.08 H new ATOM 0 HA ILE A 61 10.914 0.311 3.713 1.00 11.78 H new ATOM 0 HB ILE A 61 9.939 0.743 0.989 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.651 0.655 3.765 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.414 2.110 3.156 1.00 11.56 H new ATOM 0 HG21 ILE A 61 8.142 -0.889 1.325 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.750 -1.635 1.168 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.983 -1.502 2.768 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.974 2.258 2.971 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.715 2.264 1.353 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.939 0.787 1.971 1.00 11.42 H new ATOM 981 N GLN A 62 12.011 -1.885 2.695 1.00 13.97 N ATOM 982 CA GLN A 62 12.857 -3.016 2.316 1.00 15.52 C ATOM 983 C GLN A 62 12.037 -4.228 2.197 1.00 13.94 C ATOM 984 O GLN A 62 10.912 -4.374 2.654 1.00 12.15 O ATOM 985 CB GLN A 62 13.998 -3.285 3.336 1.00 19.53 C ATOM 986 CG GLN A 62 13.524 -3.440 4.826 1.00 26.38 C ATOM 987 CD GLN A 62 14.545 -4.050 5.779 1.00 30.61 C ATOM 988 OE1 GLN A 62 14.965 -5.209 5.693 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.028 -3.191 6.633 1.00 32.71 N ATOM 0 H GLN A 62 11.371 -2.108 3.458 1.00 13.97 H new ATOM 0 HA GLN A 62 13.317 -2.759 1.362 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.525 -4.192 3.040 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.716 -2.467 3.281 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.242 -2.457 5.204 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.625 -4.057 4.841 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.652 -2.243 6.671 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.781 -3.467 7.263 1.00 32.71 H new ATOM 998 N LYS A 63 12.616 -5.228 1.516 1.00 11.73 N ATOM 999 CA LYS A 63 12.114 -6.633 1.589 1.00 11.97 C ATOM 1000 C LYS A 63 11.583 -7.106 2.953 1.00 10.41 C ATOM 1001 O LYS A 63 12.179 -6.811 4.005 1.00 9.59 O ATOM 1002 CB LYS A 63 13.121 -7.576 0.960 1.00 13.73 C ATOM 1003 CG LYS A 63 14.416 -7.860 1.716 1.00 16.98 C ATOM 1004 CD LYS A 63 15.203 -8.977 1.163 1.00 20.19 C ATOM 1005 CE LYS A 63 15.861 -8.687 -0.169 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.811 -9.779 -0.483 1.00 25.97 N ATOM 0 H LYS A 63 13.427 -5.105 0.909 1.00 11.73 H new ATOM 0 HA LYS A 63 11.198 -6.649 0.998 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.621 -8.529 0.787 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.388 -7.174 -0.017 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.031 -6.960 1.713 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.176 -8.079 2.757 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.975 -9.251 1.882 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.550 -9.843 1.050 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.107 -8.606 -0.952 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.384 -7.732 -0.131 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.269 -9.589 -1.397 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.535 -9.834 0.262 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.297 -10.682 -0.534 1.00 25.97 H new ATOM 1020 N GLU A 64 10.449 -7.855 2.953 1.00 10.04 N ATOM 1021 CA GLU A 64 9.729 -8.351 4.151 1.00 10.94 C ATOM 1022 C GLU A 64 9.204 -7.215 5.051 1.00 9.74 C ATOM 1023 O GLU A 64 8.809 -7.397 6.232 1.00 9.42 O ATOM 1024 CB GLU A 64 10.651 -9.385 4.870 1.00 18.31 C ATOM 1025 CG GLU A 64 11.081 -10.653 4.121 1.00 24.16 C ATOM 1026 CD GLU A 64 12.010 -11.435 5.028 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.574 -11.820 6.115 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.204 -11.493 4.718 1.00 31.72 O ATOM 0 H GLU A 64 9.996 -8.139 2.085 1.00 10.04 H new ATOM 0 HA GLU A 64 8.812 -8.861 3.856 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.557 -8.861 5.174 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.143 -9.699 5.782 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.211 -11.254 3.856 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.585 -10.394 3.190 1.00 24.16 H new ATOM 1035 N SER A 65 9.093 -5.970 4.514 1.00 6.85 N ATOM 1036 CA SER A 65 8.387 -4.977 5.339 1.00 6.90 C ATOM 1037 C SER A 65 6.865 -5.173 5.279 1.00 4.72 C ATOM 1038 O SER A 65 6.276 -5.642 4.266 1.00 3.91 O ATOM 1039 CB SER A 65 8.678 -3.551 4.771 1.00 7.28 C ATOM 1040 OG SER A 65 10.072 -3.352 4.932 1.00 10.56 O ATOM 0 H SER A 65 9.445 -5.659 3.609 1.00 6.85 H new ATOM 0 HA SER A 65 8.733 -5.095 6.366 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.391 -3.481 3.722 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.109 -2.792 5.308 1.00 7.28 H new ATOM 0 HG SER A 65 10.558 -3.906 4.286 1.00 10.56 H new ATOM 1046 N THR A 66 6.203 -4.828 6.408 1.00 4.48 N ATOM 1047 CA THR A 66 4.801 -5.049 6.625 1.00 3.80 C ATOM 1048 C THR A 66 4.254 -3.722 6.623 1.00 4.60 C ATOM 1049 O THR A 66 4.637 -2.759 7.322 1.00 5.33 O ATOM 1050 CB THR A 66 4.460 -5.777 7.886 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.088 -7.054 7.954 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.011 -6.088 8.059 1.00 3.40 C ATOM 0 H THR A 66 6.664 -4.378 7.199 1.00 4.48 H new ATOM 0 HA THR A 66 4.393 -5.706 5.857 1.00 3.80 H new ATOM 0 HB THR A 66 4.801 -5.080 8.652 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.841 -7.496 8.793 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.862 -6.616 9.001 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.438 -5.161 8.068 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.672 -6.715 7.234 1.00 3.40 H new ATOM 1060 N LEU A 67 3.164 -3.527 5.829 1.00 4.17 N ATOM 1061 CA LEU A 67 2.469 -2.271 5.603 1.00 3.85 C ATOM 1062 C LEU A 67 0.996 -2.572 5.957 1.00 3.80 C ATOM 1063 O LEU A 67 0.654 -3.739 6.251 1.00 5.54 O ATOM 1064 CB LEU A 67 2.341 -1.706 4.125 1.00 7.18 C ATOM 1065 CG LEU A 67 3.755 -1.294 3.636 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.701 -2.373 3.140 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.668 -0.105 2.596 1.00 11.66 C ATOM 0 H LEU A 67 2.740 -4.297 5.311 1.00 4.17 H new ATOM 0 HA LEU A 67 3.046 -1.541 6.170 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.917 -2.462 3.465 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.667 -0.849 4.103 1.00 7.18 H new ATOM 0 HG LEU A 67 4.232 -0.982 4.565 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.644 -1.919 2.836 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.885 -3.091 3.939 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.254 -2.885 2.288 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.672 0.166 2.268 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.077 -0.417 1.735 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.196 0.757 3.067 1.00 11.66 H new ATOM 1079 N HIS A 68 0.099 -1.528 6.026 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.321 -1.702 6.330 1.00 4.17 C ATOM 1081 C HIS A 68 -2.340 -1.103 5.316 1.00 5.32 C ATOM 1082 O HIS A 68 -2.080 -0.077 4.675 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.702 -1.222 7.759 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.601 -1.498 8.786 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.408 -0.604 9.033 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.312 -2.622 9.504 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.237 -1.183 10.016 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.803 -2.430 10.260 1.00 16.30 N ATOM 0 H HIS A 68 0.365 -0.556 5.869 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.416 -2.785 6.250 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.912 -0.153 7.735 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.620 -1.720 8.073 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.887 -3.536 9.476 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.079 -0.704 10.493 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.229 -3.107 10.893 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.460 -1.847 5.088 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.503 -1.400 4.214 1.00 3.97 C ATOM 1098 C LEU A 69 -5.662 -0.845 4.981 1.00 5.07 C ATOM 1099 O LEU A 69 -6.350 -1.531 5.727 1.00 4.34 O ATOM 1100 CB LEU A 69 -5.120 -2.640 3.467 1.00 6.08 C ATOM 1101 CG LEU A 69 -6.362 -2.348 2.515 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.014 -1.341 1.388 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -6.970 -3.702 2.014 1.00 9.96 C ATOM 0 H LEU A 69 -3.633 -2.757 5.515 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.056 -0.657 3.554 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.335 -3.105 2.871 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.427 -3.371 4.215 1.00 6.08 H new ATOM 0 HG LEU A 69 -7.143 -1.843 3.083 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.893 -1.174 0.765 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.697 -0.396 1.829 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.207 -1.744 0.776 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.820 -3.500 1.362 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -6.213 -4.258 1.461 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.300 -4.291 2.869 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.980 0.450 4.840 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.142 1.085 5.430 1.00 6.26 C ATOM 1117 C VAL A 70 -8.091 1.389 4.280 1.00 9.22 C ATOM 1118 O VAL A 70 -7.746 2.080 3.334 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.770 2.414 6.116 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.068 3.157 6.586 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.839 2.033 7.276 1.00 8.54 C ATOM 0 H VAL A 70 -5.410 1.095 4.293 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.582 0.431 6.183 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.263 3.111 5.448 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.795 4.095 7.070 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.701 3.364 5.723 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.611 2.529 7.292 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.535 2.934 7.809 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.364 1.366 7.960 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.956 1.528 6.883 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.364 0.869 4.265 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.369 1.133 3.223 1.00 16.06 C ATOM 1133 C LEU A 71 -10.993 2.527 3.252 1.00 18.09 C ATOM 1134 O LEU A 71 -11.203 3.198 4.289 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.494 0.048 3.250 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.973 -1.305 2.933 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.038 -2.387 3.145 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.265 -1.538 1.626 1.00 19.57 C ATOM 0 H LEU A 71 -9.707 0.247 4.997 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.810 1.084 2.289 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.960 0.035 4.235 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.271 0.314 2.533 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.164 -1.377 3.660 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.618 -3.363 2.902 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.362 -2.380 4.186 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.892 -2.188 2.498 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.953 -2.580 1.562 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.940 -1.310 0.801 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.389 -0.892 1.567 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.412 3.011 2.065 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.950 4.292 1.796 1.00 25.83 C ATOM 1152 C ARG A 72 -13.293 4.150 1.072 1.00 27.74 C ATOM 1153 O ARG A 72 -13.347 3.423 0.077 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.899 5.210 1.184 1.00 28.49 C ATOM 1155 CG ARG A 72 -11.485 6.579 0.849 1.00 31.79 C ATOM 1156 CD ARG A 72 -10.522 7.632 0.235 1.00 34.05 C ATOM 1157 NE ARG A 72 -11.295 8.919 0.092 1.00 35.08 N ATOM 1158 CZ ARG A 72 -10.751 10.136 -0.227 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.505 10.336 -0.376 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -11.574 11.164 -0.358 1.00 35.02 N ATOM 0 H ARG A 72 -11.364 2.440 1.221 1.00 21.47 H new ATOM 0 HA ARG A 72 -12.209 4.822 2.713 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.068 5.328 1.879 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.496 4.753 0.280 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -12.312 6.432 0.154 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -11.907 6.999 1.762 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -9.652 7.776 0.875 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -10.153 7.296 -0.734 1.00 34.05 H new ATOM 0 HE ARG A 72 -12.303 8.881 0.245 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.847 9.566 -0.258 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.163 11.267 -0.614 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -12.577 11.035 -0.222 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -11.206 12.085 -0.595 1.00 35.02 H new ATOM 1174 N LEU A 73 -14.344 4.866 1.473 1.00 28.93 N ATOM 1175 CA LEU A 73 -15.631 4.864 0.772 1.00 30.76 C ATOM 1176 C LEU A 73 -15.557 5.396 -0.621 1.00 32.18 C ATOM 1177 O LEU A 73 -14.945 6.403 -0.897 1.00 32.31 O ATOM 1178 CB LEU A 73 -16.679 5.617 1.606 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.962 4.913 2.943 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -17.934 5.764 3.778 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.418 3.464 2.896 1.00 29.11 C ATOM 0 H LEU A 73 -14.328 5.467 2.297 1.00 28.93 H new ATOM 0 HA LEU A 73 -15.933 3.822 0.664 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -16.330 6.632 1.797 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -17.605 5.700 1.036 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.981 4.837 3.412 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -18.134 5.264 4.726 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -17.490 6.741 3.970 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -18.868 5.891 3.231 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.579 3.100 3.911 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -18.349 3.394 2.333 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.654 2.858 2.410 1.00 29.11 H new ATOM 1193 N ARG A 74 -16.296 4.805 -1.619 1.00 33.82 N ATOM 1194 CA ARG A 74 -16.573 5.364 -2.945 1.00 35.33 C ATOM 1195 C ARG A 74 -17.254 6.708 -2.759 1.00 36.22 C ATOM 1196 O ARG A 74 -16.892 7.732 -3.408 1.00 36.70 O ATOM 1197 CB ARG A 74 -17.426 4.342 -3.789 1.00 36.91 C ATOM 1198 CG ARG A 74 -17.861 4.710 -5.193 1.00 38.62 C ATOM 1199 CD ARG A 74 -18.146 3.496 -6.103 1.00 39.75 C ATOM 1200 NE ARG A 74 -16.804 2.967 -6.527 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.674 1.906 -7.300 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.630 0.955 -7.311 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.620 1.683 -8.103 1.00 41.93 N ATOM 0 H ARG A 74 -16.723 3.887 -1.493 1.00 33.82 H new ATOM 0 HA ARG A 74 -15.655 5.530 -3.509 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.853 3.417 -3.857 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -18.326 4.118 -3.217 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -18.759 5.325 -5.134 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -17.085 5.322 -5.654 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.714 2.734 -5.569 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -18.740 3.789 -6.968 1.00 39.75 H new ATOM 0 HE ARG A 74 -15.963 3.446 -6.205 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.456 1.055 -6.721 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -17.527 0.136 -7.910 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.856 2.357 -8.140 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -15.584 0.839 -8.675 1.00 41.93 H new ATOM 1217 N GLY A 75 -18.355 6.807 -2.005 1.00 36.31 N ATOM 1218 CA GLY A 75 -18.944 8.113 -1.703 1.00 36.07 C ATOM 1219 C GLY A 75 -18.176 8.968 -0.659 1.00 36.16 C ATOM 1220 O GLY A 75 -18.748 9.921 -0.157 1.00 36.26 O ATOM 0 H GLY A 75 -18.848 6.012 -1.599 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -19.017 8.682 -2.630 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -19.961 7.959 -1.343 1.00 36.07 H new ATOM 1224 N GLY A 76 -16.852 8.704 -0.400 1.00 36.05 N ATOM 1225 CA GLY A 76 -16.093 9.443 0.656 1.00 36.19 C ATOM 1226 C GLY A 76 -14.572 9.561 0.422 1.00 36.20 C ATOM 1227 O GLY A 76 -13.716 8.972 1.197 1.00 0.00 O ATOM 1228 OXT GLY A 76 -14.247 10.223 -0.613 1.00 0.00 O ATOM 0 H GLY A 76 -16.305 8.002 -0.897 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -16.509 10.447 0.742 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -16.258 8.947 1.612 1.00 36.19 H new TER 1232 GLY A 76