USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 584 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 43 LYS NZ :NH3+ 141:sc= 0.709 (180deg=-0.106) USER MOD Set 1.2: A 58 GLN : amide:sc= -4.14! C(o=-3.4!,f=-6.9!) USER MOD Set 2.1: A 4 THR OG1 : rot -14:sc= 0.538! USER MOD Set 2.2: A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 0 (180deg=-0.216) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 111:sc= 0.0898 USER MOD Single : A 16 GLN : amide:sc= -2.17! K(o=-2.2!,f=-0.62) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.279 USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.74 USER MOD Single : A 25 MET CE :methyl -168:sc= -3.57 (180deg=-4.91!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -0.487 X(o=-0.49,f=0) USER MOD Single : A 36 SER OG : rot 67:sc= 0.637 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.086 K(o=-0.086,f=-2.7!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -124:sc=-0.00958 (180deg=-0.236) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 ASN : amide:sc= -1.02 K(o=-1,f=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0848 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 149:sc= 0.319 (180deg=0.0474) USER MOD Single : A 68 LYS NZ :NH3+ -139:sc= 0.0755 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.054 -9.279 -4.230 1.00 0.00 N ATOM 2 CA MET A 1 0.733 -8.140 -3.377 1.00 0.00 C ATOM 3 C MET A 1 1.357 -6.859 -3.923 1.00 0.00 C ATOM 4 O MET A 1 1.859 -6.030 -3.165 1.00 0.00 O ATOM 5 CB MET A 1 1.222 -8.390 -1.950 1.00 0.00 C ATOM 6 CG MET A 1 2.692 -8.768 -1.868 1.00 0.00 C ATOM 7 SD MET A 1 3.376 -8.545 -0.215 1.00 0.00 S ATOM 8 CE MET A 1 4.813 -7.539 -0.576 1.00 0.00 C ATOM 0 H1 MET A 1 0.767 -10.159 -3.756 1.00 0.00 H new ATOM 0 H2 MET A 1 0.546 -9.190 -5.133 1.00 0.00 H new ATOM 0 H3 MET A 1 2.078 -9.300 -4.410 1.00 0.00 H new ATOM 0 HA MET A 1 -0.350 -8.020 -3.366 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.052 -7.493 -1.354 1.00 0.00 H new ATOM 0 HB3 MET A 1 0.625 -9.186 -1.505 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.813 -9.808 -2.169 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.259 -8.163 -2.576 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.343 -7.316 0.350 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.475 -8.080 -1.252 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.496 -6.608 -1.046 1.00 0.00 H new ATOM 18 N ASP A 2 1.321 -6.705 -5.242 1.00 0.00 N ATOM 19 CA ASP A 2 1.882 -5.525 -5.890 1.00 0.00 C ATOM 20 C ASP A 2 0.824 -4.806 -6.721 1.00 0.00 C ATOM 21 O ASP A 2 1.008 -4.583 -7.917 1.00 0.00 O ATOM 22 CB ASP A 2 3.065 -5.917 -6.776 1.00 0.00 C ATOM 23 CG ASP A 2 3.860 -4.715 -7.246 1.00 0.00 C ATOM 24 OD1 ASP A 2 3.839 -3.679 -6.548 1.00 0.00 O ATOM 25 OD2 ASP A 2 4.504 -4.810 -8.311 1.00 0.00 O ATOM 0 H ASP A 2 0.909 -7.383 -5.884 1.00 0.00 H new ATOM 0 HA ASP A 2 2.230 -4.845 -5.112 1.00 0.00 H new ATOM 0 HB2 ASP A 2 3.721 -6.590 -6.224 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.699 -6.468 -7.642 1.00 0.00 H new ATOM 30 N GLU A 3 -0.283 -4.448 -6.078 1.00 0.00 N ATOM 31 CA GLU A 3 -1.371 -3.757 -6.760 1.00 0.00 C ATOM 32 C GLU A 3 -1.356 -2.266 -6.436 1.00 0.00 C ATOM 33 O GLU A 3 -2.383 -1.684 -6.083 1.00 0.00 O ATOM 34 CB GLU A 3 -2.719 -4.363 -6.363 1.00 0.00 C ATOM 35 CG GLU A 3 -2.908 -4.493 -4.861 1.00 0.00 C ATOM 36 CD GLU A 3 -4.345 -4.792 -4.477 1.00 0.00 C ATOM 37 OE1 GLU A 3 -5.163 -3.849 -4.460 1.00 0.00 O ATOM 38 OE2 GLU A 3 -4.650 -5.970 -4.196 1.00 0.00 O ATOM 0 H GLU A 3 -0.450 -4.625 -5.087 1.00 0.00 H new ATOM 0 HA GLU A 3 -1.228 -3.880 -7.834 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -3.520 -3.745 -6.770 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -2.814 -5.348 -6.819 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -2.263 -5.287 -4.485 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.591 -3.569 -4.377 1.00 0.00 H new ATOM 45 N THR A 4 -0.183 -1.651 -6.556 1.00 0.00 N ATOM 46 CA THR A 4 -0.032 -0.230 -6.275 1.00 0.00 C ATOM 47 C THR A 4 0.461 0.525 -7.504 1.00 0.00 C ATOM 48 O THR A 4 0.477 1.755 -7.524 1.00 0.00 O ATOM 49 CB THR A 4 0.948 0.012 -5.111 1.00 0.00 C ATOM 50 OG1 THR A 4 1.266 1.405 -5.019 1.00 0.00 O ATOM 51 CG2 THR A 4 2.224 -0.794 -5.302 1.00 0.00 C ATOM 0 H THR A 4 0.677 -2.117 -6.846 1.00 0.00 H new ATOM 0 HA THR A 4 -1.017 0.142 -5.994 1.00 0.00 H new ATOM 0 HB THR A 4 0.468 -0.311 -4.188 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.976 1.861 -5.836 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.901 -0.607 -4.468 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.981 -1.856 -5.341 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.706 -0.497 -6.234 1.00 0.00 H new ATOM 59 N GLY A 5 0.861 -0.220 -8.529 1.00 0.00 N ATOM 60 CA GLY A 5 1.349 0.397 -9.749 1.00 0.00 C ATOM 61 C GLY A 5 0.255 0.583 -10.782 1.00 0.00 C ATOM 62 O GLY A 5 0.502 0.488 -11.984 1.00 0.00 O ATOM 0 H GLY A 5 0.856 -1.240 -8.537 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.789 1.366 -9.512 1.00 0.00 H new ATOM 0 HA3 GLY A 5 2.143 -0.219 -10.172 1.00 0.00 H new ATOM 66 N LYS A 6 -0.960 0.849 -10.313 1.00 0.00 N ATOM 67 CA LYS A 6 -2.097 1.049 -11.203 1.00 0.00 C ATOM 68 C LYS A 6 -2.467 2.526 -11.289 1.00 0.00 C ATOM 69 O LYS A 6 -2.237 3.174 -12.310 1.00 0.00 O ATOM 70 CB LYS A 6 -3.301 0.239 -10.717 1.00 0.00 C ATOM 71 CG LYS A 6 -3.042 -1.257 -10.656 1.00 0.00 C ATOM 72 CD LYS A 6 -2.603 -1.802 -12.005 1.00 0.00 C ATOM 73 CE LYS A 6 -2.839 -3.301 -12.104 1.00 0.00 C ATOM 74 NZ LYS A 6 -1.879 -4.071 -11.265 1.00 0.00 N ATOM 0 H LYS A 6 -1.182 0.931 -9.321 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.813 0.705 -12.197 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.589 0.590 -9.726 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -4.146 0.426 -11.380 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.274 -1.464 -9.911 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.947 -1.771 -10.332 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.149 -1.293 -12.799 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.545 -1.588 -12.158 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -3.858 -3.529 -11.792 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.746 -3.615 -13.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.073 -5.088 -11.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -0.907 -3.873 -11.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -1.985 -3.790 -10.269 1.00 0.00 H new ATOM 88 N GLU A 7 -3.040 3.052 -10.211 1.00 0.00 N ATOM 89 CA GLU A 7 -3.441 4.454 -10.166 1.00 0.00 C ATOM 90 C GLU A 7 -2.968 5.113 -8.874 1.00 0.00 C ATOM 91 O GLU A 7 -3.580 4.945 -7.818 1.00 0.00 O ATOM 92 CB GLU A 7 -4.961 4.577 -10.289 1.00 0.00 C ATOM 93 CG GLU A 7 -5.723 3.588 -9.423 1.00 0.00 C ATOM 94 CD GLU A 7 -7.220 3.638 -9.661 1.00 0.00 C ATOM 95 OE1 GLU A 7 -7.692 4.625 -10.263 1.00 0.00 O ATOM 96 OE2 GLU A 7 -7.920 2.691 -9.244 1.00 0.00 O ATOM 0 H GLU A 7 -3.237 2.529 -9.358 1.00 0.00 H new ATOM 0 HA GLU A 7 -2.974 4.967 -11.007 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -5.258 5.590 -10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.246 4.430 -11.331 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -5.360 2.580 -9.624 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.518 3.797 -8.373 1.00 0.00 H new ATOM 103 N LEU A 8 -1.876 5.864 -8.965 1.00 0.00 N ATOM 104 CA LEU A 8 -1.320 6.550 -7.804 1.00 0.00 C ATOM 105 C LEU A 8 -1.483 8.061 -7.934 1.00 0.00 C ATOM 106 O LEU A 8 -1.299 8.625 -9.012 1.00 0.00 O ATOM 107 CB LEU A 8 0.159 6.198 -7.639 1.00 0.00 C ATOM 108 CG LEU A 8 0.460 4.798 -7.100 1.00 0.00 C ATOM 109 CD1 LEU A 8 1.822 4.322 -7.582 1.00 0.00 C ATOM 110 CD2 LEU A 8 0.396 4.787 -5.580 1.00 0.00 C ATOM 0 H LEU A 8 -1.358 6.013 -9.831 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.867 6.219 -6.921 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.648 6.306 -8.607 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.613 6.929 -6.970 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.297 4.112 -7.480 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.019 3.325 -7.189 1.00 0.00 H new ATOM 0 HD12 LEU A 8 1.832 4.291 -8.672 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.592 5.009 -7.232 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.613 3.783 -5.214 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.131 5.486 -5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.601 5.084 -5.256 1.00 0.00 H new ATOM 122 N VAL A 9 -1.828 8.711 -6.827 1.00 0.00 N ATOM 123 CA VAL A 9 -2.013 10.157 -6.816 1.00 0.00 C ATOM 124 C VAL A 9 -1.016 10.831 -5.880 1.00 0.00 C ATOM 125 O VAL A 9 -0.802 10.380 -4.754 1.00 0.00 O ATOM 126 CB VAL A 9 -3.442 10.537 -6.385 1.00 0.00 C ATOM 127 CG1 VAL A 9 -4.441 10.183 -7.476 1.00 0.00 C ATOM 128 CG2 VAL A 9 -3.804 9.851 -5.077 1.00 0.00 C ATOM 0 H VAL A 9 -1.985 8.259 -5.926 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.844 10.505 -7.835 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.480 11.615 -6.226 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.445 10.459 -7.153 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.191 10.725 -8.388 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.404 9.111 -7.670 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -4.817 10.131 -4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.749 8.770 -5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.106 10.160 -4.299 1.00 0.00 H new ATOM 138 N LEU A 10 -0.409 11.915 -6.352 1.00 0.00 N ATOM 139 CA LEU A 10 0.566 12.653 -5.557 1.00 0.00 C ATOM 140 C LEU A 10 -0.075 13.876 -4.908 1.00 0.00 C ATOM 141 O LEU A 10 -0.934 14.527 -5.501 1.00 0.00 O ATOM 142 CB LEU A 10 1.744 13.085 -6.432 1.00 0.00 C ATOM 143 CG LEU A 10 3.028 13.461 -5.691 1.00 0.00 C ATOM 144 CD1 LEU A 10 4.245 13.204 -6.566 1.00 0.00 C ATOM 145 CD2 LEU A 10 2.982 14.918 -5.252 1.00 0.00 C ATOM 0 H LEU A 10 -0.575 12.302 -7.281 1.00 0.00 H new ATOM 0 HA LEU A 10 0.929 11.994 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.972 12.275 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.431 13.939 -7.032 1.00 0.00 H new ATOM 0 HG LEU A 10 3.108 12.836 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.149 13.478 -6.022 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.286 12.147 -6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.173 13.803 -7.474 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.903 15.169 -4.726 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.878 15.559 -6.128 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.132 15.071 -4.587 1.00 0.00 H new ATOM 157 N ALA A 11 0.352 14.182 -3.687 1.00 0.00 N ATOM 158 CA ALA A 11 -0.177 15.329 -2.959 1.00 0.00 C ATOM 159 C ALA A 11 0.617 16.593 -3.274 1.00 0.00 C ATOM 160 O ALA A 11 1.807 16.683 -2.970 1.00 0.00 O ATOM 161 CB ALA A 11 -0.164 15.055 -1.462 1.00 0.00 C ATOM 0 H ALA A 11 1.062 13.652 -3.182 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.206 15.489 -3.280 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.562 15.920 -0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.780 14.182 -1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 11 0.859 14.867 -1.135 1.00 0.00 H new ATOM 167 N LEU A 12 -0.049 17.566 -3.885 1.00 0.00 N ATOM 168 CA LEU A 12 0.595 18.826 -4.242 1.00 0.00 C ATOM 169 C LEU A 12 0.680 19.755 -3.035 1.00 0.00 C ATOM 170 O LEU A 12 1.638 20.516 -2.891 1.00 0.00 O ATOM 171 CB LEU A 12 -0.173 19.511 -5.374 1.00 0.00 C ATOM 172 CG LEU A 12 -0.336 18.701 -6.661 1.00 0.00 C ATOM 173 CD1 LEU A 12 -1.211 19.449 -7.655 1.00 0.00 C ATOM 174 CD2 LEU A 12 1.023 18.392 -7.271 1.00 0.00 C ATOM 0 H LEU A 12 -1.034 17.507 -4.144 1.00 0.00 H new ATOM 0 HA LEU A 12 1.608 18.605 -4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.165 19.774 -5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.335 20.444 -5.618 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.825 17.758 -6.416 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.316 18.858 -8.565 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.195 19.619 -7.218 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.750 20.407 -7.896 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.888 17.815 -8.186 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.538 19.324 -7.502 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.617 17.815 -6.562 1.00 0.00 H new ATOM 186 N TYR A 13 -0.325 19.686 -2.170 1.00 0.00 N ATOM 187 CA TYR A 13 -0.364 20.522 -0.976 1.00 0.00 C ATOM 188 C TYR A 13 -0.404 19.665 0.287 1.00 0.00 C ATOM 189 O TYR A 13 -0.606 18.453 0.221 1.00 0.00 O ATOM 190 CB TYR A 13 -1.579 21.449 -1.015 1.00 0.00 C ATOM 191 CG TYR A 13 -1.648 22.305 -2.260 1.00 0.00 C ATOM 192 CD1 TYR A 13 -2.160 21.797 -3.448 1.00 0.00 C ATOM 193 CD2 TYR A 13 -1.199 23.620 -2.249 1.00 0.00 C ATOM 194 CE1 TYR A 13 -2.224 22.575 -4.588 1.00 0.00 C ATOM 195 CE2 TYR A 13 -1.261 24.405 -3.384 1.00 0.00 C ATOM 196 CZ TYR A 13 -1.774 23.878 -4.551 1.00 0.00 C ATOM 197 OH TYR A 13 -1.836 24.657 -5.684 1.00 0.00 O ATOM 0 H TYR A 13 -1.124 19.060 -2.273 1.00 0.00 H new ATOM 0 HA TYR A 13 0.543 21.126 -0.956 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.486 20.848 -0.946 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.559 22.097 -0.139 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.514 20.777 -3.481 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.795 24.035 -1.338 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -2.624 22.165 -5.503 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.910 25.426 -3.358 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.480 25.549 -5.488 1.00 0.00 H new ATOM 207 N ASP A 14 -0.212 20.306 1.434 1.00 0.00 N ATOM 208 CA ASP A 14 -0.228 19.605 2.713 1.00 0.00 C ATOM 209 C ASP A 14 -1.648 19.507 3.261 1.00 0.00 C ATOM 210 O ASP A 14 -2.430 20.453 3.160 1.00 0.00 O ATOM 211 CB ASP A 14 0.673 20.319 3.722 1.00 0.00 C ATOM 212 CG ASP A 14 0.192 21.722 4.036 1.00 0.00 C ATOM 213 OD1 ASP A 14 -0.039 22.498 3.084 1.00 0.00 O ATOM 214 OD2 ASP A 14 0.047 22.045 5.233 1.00 0.00 O ATOM 0 H ASP A 14 -0.043 21.309 1.505 1.00 0.00 H new ATOM 0 HA ASP A 14 0.150 18.596 2.551 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.714 19.738 4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.688 20.366 3.329 1.00 0.00 H new ATOM 219 N TYR A 15 -1.975 18.357 3.840 1.00 0.00 N ATOM 220 CA TYR A 15 -3.302 18.135 4.402 1.00 0.00 C ATOM 221 C TYR A 15 -3.218 17.341 5.702 1.00 0.00 C ATOM 222 O TYR A 15 -2.227 16.660 5.962 1.00 0.00 O ATOM 223 CB TYR A 15 -4.186 17.395 3.396 1.00 0.00 C ATOM 224 CG TYR A 15 -5.643 17.339 3.797 1.00 0.00 C ATOM 225 CD1 TYR A 15 -6.392 18.502 3.931 1.00 0.00 C ATOM 226 CD2 TYR A 15 -6.272 16.124 4.041 1.00 0.00 C ATOM 227 CE1 TYR A 15 -7.723 18.457 4.298 1.00 0.00 C ATOM 228 CE2 TYR A 15 -7.603 16.069 4.407 1.00 0.00 C ATOM 229 CZ TYR A 15 -8.324 17.238 4.534 1.00 0.00 C ATOM 230 OH TYR A 15 -9.650 17.188 4.899 1.00 0.00 O ATOM 0 H TYR A 15 -1.340 17.564 3.932 1.00 0.00 H new ATOM 0 HA TYR A 15 -3.744 19.107 4.620 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -4.104 17.883 2.425 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -3.812 16.378 3.275 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.925 19.458 3.745 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.710 15.207 3.943 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -8.290 19.371 4.400 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -8.076 15.116 4.593 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.175 16.795 4.171 1.00 0.00 H new ATOM 240 N GLN A 16 -4.266 17.436 6.514 1.00 0.00 N ATOM 241 CA GLN A 16 -4.311 16.727 7.788 1.00 0.00 C ATOM 242 C GLN A 16 -5.635 15.990 7.954 1.00 0.00 C ATOM 243 O GLN A 16 -6.675 16.449 7.483 1.00 0.00 O ATOM 244 CB GLN A 16 -4.109 17.705 8.947 1.00 0.00 C ATOM 245 CG GLN A 16 -5.170 18.792 9.017 1.00 0.00 C ATOM 246 CD GLN A 16 -4.939 19.899 8.008 1.00 0.00 C ATOM 247 OE1 GLN A 16 -4.051 20.735 8.178 1.00 0.00 O ATOM 248 NE2 GLN A 16 -5.740 19.910 6.948 1.00 0.00 N ATOM 0 H GLN A 16 -5.094 17.996 6.313 1.00 0.00 H new ATOM 0 HA GLN A 16 -3.505 15.994 7.796 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.108 17.149 9.885 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.128 18.171 8.851 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.151 18.348 8.846 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.183 19.217 10.021 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -6.463 19.197 6.848 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.632 20.631 6.235 1.00 0.00 H new ATOM 257 N GLU A 17 -5.588 14.844 8.627 1.00 0.00 N ATOM 258 CA GLU A 17 -6.785 14.042 8.853 1.00 0.00 C ATOM 259 C GLU A 17 -7.564 14.557 10.061 1.00 0.00 C ATOM 260 O GLU A 17 -6.987 14.838 11.112 1.00 0.00 O ATOM 261 CB GLU A 17 -6.411 12.574 9.062 1.00 0.00 C ATOM 262 CG GLU A 17 -5.791 12.290 10.419 1.00 0.00 C ATOM 263 CD GLU A 17 -6.820 11.896 11.460 1.00 0.00 C ATOM 264 OE1 GLU A 17 -7.535 10.897 11.238 1.00 0.00 O ATOM 265 OE2 GLU A 17 -6.911 12.586 12.497 1.00 0.00 O ATOM 0 H GLU A 17 -4.735 14.451 9.025 1.00 0.00 H new ATOM 0 HA GLU A 17 -7.419 14.125 7.970 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.304 11.960 8.945 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.712 12.272 8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.057 11.491 10.319 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.254 13.175 10.761 1.00 0.00 H new ATOM 272 N LYS A 18 -8.877 14.677 9.903 1.00 0.00 N ATOM 273 CA LYS A 18 -9.737 15.156 10.979 1.00 0.00 C ATOM 274 C LYS A 18 -10.607 14.028 11.524 1.00 0.00 C ATOM 275 O LYS A 18 -11.045 14.069 12.674 1.00 0.00 O ATOM 276 CB LYS A 18 -10.621 16.302 10.481 1.00 0.00 C ATOM 277 CG LYS A 18 -11.595 15.889 9.391 1.00 0.00 C ATOM 278 CD LYS A 18 -12.151 17.096 8.654 1.00 0.00 C ATOM 279 CE LYS A 18 -13.542 16.820 8.103 1.00 0.00 C ATOM 280 NZ LYS A 18 -13.814 17.602 6.866 1.00 0.00 N ATOM 0 H LYS A 18 -9.370 14.449 9.040 1.00 0.00 H new ATOM 0 HA LYS A 18 -9.100 15.520 11.785 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -11.182 16.709 11.322 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.985 17.103 10.104 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -11.093 15.229 8.684 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -12.415 15.320 9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -12.189 17.951 9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.482 17.365 7.837 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -13.643 15.756 7.890 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.287 17.066 8.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.771 17.386 6.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -13.742 18.618 7.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -13.118 17.349 6.135 1.00 0.00 H new ATOM 294 N SER A 19 -10.853 13.021 10.691 1.00 0.00 N ATOM 295 CA SER A 19 -11.673 11.883 11.089 1.00 0.00 C ATOM 296 C SER A 19 -10.898 10.577 10.942 1.00 0.00 C ATOM 297 O SER A 19 -9.898 10.496 10.228 1.00 0.00 O ATOM 298 CB SER A 19 -12.950 11.829 10.248 1.00 0.00 C ATOM 299 OG SER A 19 -13.187 13.067 9.600 1.00 0.00 O ATOM 0 H SER A 19 -10.496 12.971 9.737 1.00 0.00 H new ATOM 0 HA SER A 19 -11.942 12.009 12.138 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.866 11.036 9.505 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.799 11.580 10.885 1.00 0.00 H new ATOM 0 HG SER A 19 -14.008 13.006 9.068 1.00 0.00 H new ATOM 305 N PRO A 20 -11.369 9.529 11.634 1.00 0.00 N ATOM 306 CA PRO A 20 -10.737 8.208 11.597 1.00 0.00 C ATOM 307 C PRO A 20 -10.910 7.519 10.247 1.00 0.00 C ATOM 308 O PRO A 20 -10.302 6.481 9.987 1.00 0.00 O ATOM 309 CB PRO A 20 -11.474 7.431 12.691 1.00 0.00 C ATOM 310 CG PRO A 20 -12.800 8.101 12.803 1.00 0.00 C ATOM 311 CD PRO A 20 -12.556 9.554 12.505 1.00 0.00 C ATOM 0 HA PRO A 20 -9.659 8.268 11.749 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.583 6.380 12.425 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -10.931 7.466 13.636 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.514 7.673 12.100 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -13.219 7.972 13.801 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.411 10.011 12.006 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -12.375 10.126 13.415 1.00 0.00 H new ATOM 319 N ARG A 21 -11.742 8.105 9.392 1.00 0.00 N ATOM 320 CA ARG A 21 -11.996 7.547 8.069 1.00 0.00 C ATOM 321 C ARG A 21 -11.100 8.203 7.022 1.00 0.00 C ATOM 322 O ARG A 21 -10.806 7.610 5.985 1.00 0.00 O ATOM 323 CB ARG A 21 -13.465 7.732 7.687 1.00 0.00 C ATOM 324 CG ARG A 21 -14.324 6.508 7.960 1.00 0.00 C ATOM 325 CD ARG A 21 -15.805 6.827 7.829 1.00 0.00 C ATOM 326 NE ARG A 21 -16.338 7.459 9.033 1.00 0.00 N ATOM 327 CZ ARG A 21 -16.662 6.788 10.133 1.00 0.00 C ATOM 328 NH1 ARG A 21 -16.508 5.472 10.180 1.00 0.00 N ATOM 329 NH2 ARG A 21 -17.141 7.434 11.188 1.00 0.00 N ATOM 0 H ARG A 21 -12.252 8.966 9.592 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.768 6.482 8.102 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -13.871 8.580 8.238 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.528 7.980 6.628 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.059 5.713 7.263 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -14.118 6.134 8.963 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.959 7.486 6.975 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -16.357 5.909 7.627 1.00 0.00 H new ATOM 0 HE ARG A 21 -16.469 8.471 9.029 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.140 4.972 9.370 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -16.757 4.959 11.026 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -17.261 8.446 11.155 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.390 6.918 12.032 1.00 0.00 H new ATOM 343 N GLU A 22 -10.671 9.429 7.303 1.00 0.00 N ATOM 344 CA GLU A 22 -9.810 10.165 6.384 1.00 0.00 C ATOM 345 C GLU A 22 -8.338 9.897 6.685 1.00 0.00 C ATOM 346 O GLU A 22 -7.981 9.508 7.797 1.00 0.00 O ATOM 347 CB GLU A 22 -10.096 11.666 6.474 1.00 0.00 C ATOM 348 CG GLU A 22 -11.503 12.044 6.043 1.00 0.00 C ATOM 349 CD GLU A 22 -11.639 13.521 5.727 1.00 0.00 C ATOM 350 OE1 GLU A 22 -10.734 14.072 5.066 1.00 0.00 O ATOM 351 OE2 GLU A 22 -12.651 14.125 6.140 1.00 0.00 O ATOM 0 H GLU A 22 -10.905 9.933 8.158 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.024 9.822 5.372 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.938 11.996 7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.378 12.202 5.853 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -11.779 11.461 5.164 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.205 11.779 6.834 1.00 0.00 H new ATOM 358 N VAL A 23 -7.488 10.109 5.685 1.00 0.00 N ATOM 359 CA VAL A 23 -6.055 9.891 5.842 1.00 0.00 C ATOM 360 C VAL A 23 -5.281 11.196 5.692 1.00 0.00 C ATOM 361 O VAL A 23 -5.700 12.100 4.968 1.00 0.00 O ATOM 362 CB VAL A 23 -5.526 8.873 4.814 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.935 7.460 5.203 1.00 0.00 C ATOM 364 CG2 VAL A 23 -6.025 9.217 3.419 1.00 0.00 C ATOM 0 H VAL A 23 -7.767 10.431 4.758 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.903 9.495 6.846 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.437 8.921 4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.553 6.754 4.465 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.524 7.219 6.183 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.022 7.393 5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.642 8.488 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.115 9.198 3.407 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -5.677 10.212 3.143 1.00 0.00 H new ATOM 374 N THR A 24 -4.148 11.289 6.380 1.00 0.00 N ATOM 375 CA THR A 24 -3.315 12.484 6.325 1.00 0.00 C ATOM 376 C THR A 24 -2.289 12.387 5.201 1.00 0.00 C ATOM 377 O THR A 24 -1.640 11.356 5.028 1.00 0.00 O ATOM 378 CB THR A 24 -2.579 12.718 7.658 1.00 0.00 C ATOM 379 OG1 THR A 24 -3.527 12.896 8.716 1.00 0.00 O ATOM 380 CG2 THR A 24 -1.676 13.939 7.570 1.00 0.00 C ATOM 0 H THR A 24 -3.786 10.550 6.983 1.00 0.00 H new ATOM 0 HA THR A 24 -3.981 13.325 6.134 1.00 0.00 H new ATOM 0 HB THR A 24 -1.963 11.843 7.866 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.051 13.042 9.560 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.167 14.084 8.523 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.937 13.789 6.783 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.276 14.820 7.341 1.00 0.00 H new ATOM 388 N MET A 25 -2.148 13.468 4.441 1.00 0.00 N ATOM 389 CA MET A 25 -1.199 13.504 3.334 1.00 0.00 C ATOM 390 C MET A 25 -0.419 14.815 3.331 1.00 0.00 C ATOM 391 O MET A 25 -0.893 15.833 3.835 1.00 0.00 O ATOM 392 CB MET A 25 -1.929 13.328 2.002 1.00 0.00 C ATOM 393 CG MET A 25 -3.114 14.265 1.829 1.00 0.00 C ATOM 394 SD MET A 25 -4.138 13.836 0.408 1.00 0.00 S ATOM 395 CE MET A 25 -4.894 15.419 0.046 1.00 0.00 C ATOM 0 H MET A 25 -2.678 14.330 4.571 1.00 0.00 H new ATOM 0 HA MET A 25 -0.495 12.682 3.464 1.00 0.00 H new ATOM 0 HB2 MET A 25 -1.225 13.492 1.187 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.276 12.298 1.921 1.00 0.00 H new ATOM 0 HG2 MET A 25 -3.725 14.243 2.732 1.00 0.00 H new ATOM 0 HG3 MET A 25 -2.751 15.286 1.715 1.00 0.00 H new ATOM 0 HE1 MET A 25 -5.709 15.279 -0.664 1.00 0.00 H new ATOM 0 HE2 MET A 25 -5.284 15.855 0.966 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.149 16.088 -0.384 1.00 0.00 H new ATOM 405 N LYS A 26 0.780 14.783 2.759 1.00 0.00 N ATOM 406 CA LYS A 26 1.627 15.968 2.689 1.00 0.00 C ATOM 407 C LYS A 26 2.248 16.112 1.303 1.00 0.00 C ATOM 408 O LYS A 26 2.156 15.207 0.473 1.00 0.00 O ATOM 409 CB LYS A 26 2.729 15.897 3.748 1.00 0.00 C ATOM 410 CG LYS A 26 2.245 16.213 5.152 1.00 0.00 C ATOM 411 CD LYS A 26 3.406 16.385 6.117 1.00 0.00 C ATOM 412 CE LYS A 26 4.067 15.053 6.437 1.00 0.00 C ATOM 413 NZ LYS A 26 4.679 15.049 7.795 1.00 0.00 N ATOM 0 H LYS A 26 1.187 13.949 2.337 1.00 0.00 H new ATOM 0 HA LYS A 26 1.003 16.841 2.881 1.00 0.00 H new ATOM 0 HB2 LYS A 26 3.165 14.898 3.740 1.00 0.00 H new ATOM 0 HB3 LYS A 26 3.523 16.594 3.481 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.647 17.124 5.135 1.00 0.00 H new ATOM 0 HG3 LYS A 26 1.595 15.411 5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 26 4.142 17.063 5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.050 16.846 7.038 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.327 14.255 6.370 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.834 14.840 5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.119 14.124 7.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.403 15.794 7.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.943 15.227 8.508 1.00 0.00 H new ATOM 427 N LYS A 27 2.881 17.254 1.059 1.00 0.00 N ATOM 428 CA LYS A 27 3.520 17.516 -0.225 1.00 0.00 C ATOM 429 C LYS A 27 4.478 16.389 -0.596 1.00 0.00 C ATOM 430 O LYS A 27 5.496 16.183 0.063 1.00 0.00 O ATOM 431 CB LYS A 27 4.275 18.847 -0.181 1.00 0.00 C ATOM 432 CG LYS A 27 3.379 20.060 -0.361 1.00 0.00 C ATOM 433 CD LYS A 27 2.987 20.668 0.975 1.00 0.00 C ATOM 434 CE LYS A 27 2.442 22.078 0.808 1.00 0.00 C ATOM 435 NZ LYS A 27 3.494 23.109 1.031 1.00 0.00 N ATOM 0 H LYS A 27 2.965 18.014 1.734 1.00 0.00 H new ATOM 0 HA LYS A 27 2.741 17.572 -0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.796 18.929 0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.037 18.849 -0.961 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.894 20.807 -0.965 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.481 19.772 -0.908 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.235 20.041 1.455 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.854 20.688 1.635 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.029 22.191 -0.194 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.623 22.237 1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.083 24.056 0.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.871 23.017 1.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.264 22.974 0.345 1.00 0.00 H new ATOM 449 N GLY A 28 4.145 15.661 -1.658 1.00 0.00 N ATOM 450 CA GLY A 28 4.987 14.564 -2.099 1.00 0.00 C ATOM 451 C GLY A 28 4.382 13.208 -1.790 1.00 0.00 C ATOM 452 O GLY A 28 4.764 12.201 -2.385 1.00 0.00 O ATOM 0 H GLY A 28 3.308 15.811 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.154 14.648 -3.173 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.962 14.642 -1.617 1.00 0.00 H new ATOM 456 N ASP A 29 3.437 13.183 -0.857 1.00 0.00 N ATOM 457 CA ASP A 29 2.779 11.941 -0.469 1.00 0.00 C ATOM 458 C ASP A 29 2.218 11.219 -1.690 1.00 0.00 C ATOM 459 O ASP A 29 1.745 11.852 -2.634 1.00 0.00 O ATOM 460 CB ASP A 29 1.657 12.224 0.531 1.00 0.00 C ATOM 461 CG ASP A 29 0.771 11.016 0.765 1.00 0.00 C ATOM 462 OD1 ASP A 29 1.317 9.913 0.980 1.00 0.00 O ATOM 463 OD2 ASP A 29 -0.467 11.173 0.733 1.00 0.00 O ATOM 0 H ASP A 29 3.109 14.008 -0.355 1.00 0.00 H new ATOM 0 HA ASP A 29 3.522 11.297 0.002 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.091 12.542 1.479 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.049 13.052 0.166 1.00 0.00 H new ATOM 468 N ILE A 30 2.275 9.892 -1.665 1.00 0.00 N ATOM 469 CA ILE A 30 1.773 9.085 -2.770 1.00 0.00 C ATOM 470 C ILE A 30 0.766 8.049 -2.281 1.00 0.00 C ATOM 471 O ILE A 30 1.099 7.170 -1.484 1.00 0.00 O ATOM 472 CB ILE A 30 2.917 8.363 -3.506 1.00 0.00 C ATOM 473 CG1 ILE A 30 4.022 9.356 -3.873 1.00 0.00 C ATOM 474 CG2 ILE A 30 2.390 7.665 -4.750 1.00 0.00 C ATOM 475 CD1 ILE A 30 5.195 8.719 -4.585 1.00 0.00 C ATOM 0 H ILE A 30 2.664 9.353 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 30 1.281 9.769 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 30 3.338 7.608 -2.842 1.00 0.00 H new ATOM 0 HG12 ILE A 30 3.602 10.136 -4.508 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.379 9.842 -2.965 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.211 7.160 -5.259 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.635 6.933 -4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.946 8.401 -5.420 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.939 9.482 -4.814 1.00 0.00 H new ATOM 0 HD12 ILE A 30 5.640 7.958 -3.944 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.852 8.257 -5.511 1.00 0.00 H new ATOM 487 N LEU A 31 -0.467 8.157 -2.763 1.00 0.00 N ATOM 488 CA LEU A 31 -1.524 7.228 -2.377 1.00 0.00 C ATOM 489 C LEU A 31 -2.071 6.490 -3.595 1.00 0.00 C ATOM 490 O LEU A 31 -1.876 6.916 -4.733 1.00 0.00 O ATOM 491 CB LEU A 31 -2.654 7.977 -1.670 1.00 0.00 C ATOM 492 CG LEU A 31 -2.231 9.146 -0.779 1.00 0.00 C ATOM 493 CD1 LEU A 31 -2.471 10.470 -1.486 1.00 0.00 C ATOM 494 CD2 LEU A 31 -2.977 9.103 0.547 1.00 0.00 C ATOM 0 H LEU A 31 -0.760 8.879 -3.422 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.098 6.495 -1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.342 8.354 -2.427 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.209 7.264 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.164 9.055 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.164 11.290 -0.837 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.891 10.501 -2.408 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.531 10.570 -1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.664 9.942 1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.049 9.168 0.363 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.753 8.168 1.060 1.00 0.00 H new ATOM 506 N THR A 32 -2.761 5.381 -3.347 1.00 0.00 N ATOM 507 CA THR A 32 -3.338 4.583 -4.422 1.00 0.00 C ATOM 508 C THR A 32 -4.827 4.870 -4.580 1.00 0.00 C ATOM 509 O THR A 32 -5.633 4.514 -3.719 1.00 0.00 O ATOM 510 CB THR A 32 -3.140 3.076 -4.172 1.00 0.00 C ATOM 511 OG1 THR A 32 -1.756 2.796 -3.935 1.00 0.00 O ATOM 512 CG2 THR A 32 -3.632 2.262 -5.359 1.00 0.00 C ATOM 0 H THR A 32 -2.934 5.015 -2.411 1.00 0.00 H new ATOM 0 HA THR A 32 -2.817 4.862 -5.338 1.00 0.00 H new ATOM 0 HB THR A 32 -3.722 2.796 -3.294 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.639 1.836 -3.775 1.00 0.00 H new ATOM 0 HG21 THR A 32 -3.482 1.201 -5.160 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.693 2.455 -5.518 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.074 2.546 -6.251 1.00 0.00 H new ATOM 520 N LEU A 33 -5.187 5.513 -5.685 1.00 0.00 N ATOM 521 CA LEU A 33 -6.580 5.846 -5.957 1.00 0.00 C ATOM 522 C LEU A 33 -7.443 4.589 -6.000 1.00 0.00 C ATOM 523 O LEU A 33 -7.269 3.733 -6.868 1.00 0.00 O ATOM 524 CB LEU A 33 -6.695 6.603 -7.282 1.00 0.00 C ATOM 525 CG LEU A 33 -7.737 7.721 -7.328 1.00 0.00 C ATOM 526 CD1 LEU A 33 -9.066 7.236 -6.771 1.00 0.00 C ATOM 527 CD2 LEU A 33 -7.246 8.939 -6.558 1.00 0.00 C ATOM 0 H LEU A 33 -4.533 5.814 -6.407 1.00 0.00 H new ATOM 0 HA LEU A 33 -6.939 6.483 -5.149 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.721 7.031 -7.518 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.927 5.885 -8.069 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.887 8.009 -8.368 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.795 8.045 -6.812 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.424 6.395 -7.365 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -8.933 6.919 -5.736 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.000 9.725 -6.601 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -7.067 8.664 -5.518 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.319 9.301 -7.002 1.00 0.00 H new ATOM 539 N LEU A 34 -8.375 4.485 -5.059 1.00 0.00 N ATOM 540 CA LEU A 34 -9.267 3.333 -4.990 1.00 0.00 C ATOM 541 C LEU A 34 -10.656 3.689 -5.511 1.00 0.00 C ATOM 542 O LEU A 34 -11.304 2.884 -6.180 1.00 0.00 O ATOM 543 CB LEU A 34 -9.365 2.824 -3.551 1.00 0.00 C ATOM 544 CG LEU A 34 -9.398 1.305 -3.377 1.00 0.00 C ATOM 545 CD1 LEU A 34 -8.153 0.671 -3.977 1.00 0.00 C ATOM 546 CD2 LEU A 34 -9.529 0.939 -1.906 1.00 0.00 C ATOM 0 H LEU A 34 -8.533 5.184 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.853 2.546 -5.620 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -8.517 3.216 -2.990 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -10.265 3.241 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.269 0.917 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.195 -0.410 -3.843 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.103 0.904 -5.041 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.268 1.064 -3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -9.551 -0.146 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -8.679 1.340 -1.354 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -10.452 1.361 -1.507 1.00 0.00 H new ATOM 558 N ASN A 35 -11.107 4.900 -5.201 1.00 0.00 N ATOM 559 CA ASN A 35 -12.419 5.363 -5.639 1.00 0.00 C ATOM 560 C ASN A 35 -12.393 6.856 -5.949 1.00 0.00 C ATOM 561 O ASN A 35 -12.200 7.683 -5.058 1.00 0.00 O ATOM 562 CB ASN A 35 -13.470 5.072 -4.566 1.00 0.00 C ATOM 563 CG ASN A 35 -14.754 4.516 -5.150 1.00 0.00 C ATOM 564 OD1 ASN A 35 -15.337 3.574 -4.613 1.00 0.00 O ATOM 565 ND2 ASN A 35 -15.201 5.099 -6.257 1.00 0.00 N ATOM 0 H ASN A 35 -10.583 5.579 -4.648 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.681 4.825 -6.550 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.064 4.361 -3.847 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.690 5.989 -4.019 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.060 4.768 -6.696 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.685 5.877 -6.668 1.00 0.00 H new ATOM 572 N SER A 36 -12.589 7.195 -7.220 1.00 0.00 N ATOM 573 CA SER A 36 -12.585 8.588 -7.649 1.00 0.00 C ATOM 574 C SER A 36 -13.961 9.003 -8.162 1.00 0.00 C ATOM 575 O SER A 36 -14.079 9.869 -9.029 1.00 0.00 O ATOM 576 CB SER A 36 -11.535 8.805 -8.740 1.00 0.00 C ATOM 577 OG SER A 36 -12.076 8.553 -10.026 1.00 0.00 O ATOM 0 H SER A 36 -12.752 6.523 -7.970 1.00 0.00 H new ATOM 0 HA SER A 36 -12.336 9.207 -6.787 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.163 9.828 -8.693 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.683 8.148 -8.565 1.00 0.00 H new ATOM 0 HG SER A 36 -12.758 9.226 -10.231 1.00 0.00 H new ATOM 583 N THR A 37 -15.001 8.377 -7.619 1.00 0.00 N ATOM 584 CA THR A 37 -16.369 8.678 -8.021 1.00 0.00 C ATOM 585 C THR A 37 -16.689 10.155 -7.818 1.00 0.00 C ATOM 586 O THR A 37 -17.416 10.756 -8.608 1.00 0.00 O ATOM 587 CB THR A 37 -17.386 7.831 -7.233 1.00 0.00 C ATOM 588 OG1 THR A 37 -18.717 8.136 -7.664 1.00 0.00 O ATOM 589 CG2 THR A 37 -17.260 8.087 -5.739 1.00 0.00 C ATOM 0 H THR A 37 -14.921 7.658 -6.900 1.00 0.00 H new ATOM 0 HA THR A 37 -16.448 8.434 -9.080 1.00 0.00 H new ATOM 0 HB THR A 37 -17.175 6.779 -7.425 1.00 0.00 H new ATOM 0 HG1 THR A 37 -19.357 7.592 -7.159 1.00 0.00 H new ATOM 0 HG21 THR A 37 -17.988 7.478 -5.203 1.00 0.00 H new ATOM 0 HG22 THR A 37 -16.255 7.826 -5.409 1.00 0.00 H new ATOM 0 HG23 THR A 37 -17.447 9.141 -5.533 1.00 0.00 H new ATOM 597 N ASN A 38 -16.141 10.734 -6.755 1.00 0.00 N ATOM 598 CA ASN A 38 -16.368 12.141 -6.449 1.00 0.00 C ATOM 599 C ASN A 38 -15.276 13.014 -7.060 1.00 0.00 C ATOM 600 O ASN A 38 -14.256 12.512 -7.532 1.00 0.00 O ATOM 601 CB ASN A 38 -16.418 12.353 -4.934 1.00 0.00 C ATOM 602 CG ASN A 38 -17.488 13.347 -4.525 1.00 0.00 C ATOM 603 OD1 ASN A 38 -18.064 14.038 -5.366 1.00 0.00 O ATOM 604 ND2 ASN A 38 -17.759 13.423 -3.227 1.00 0.00 N ATOM 0 H ASN A 38 -15.536 10.250 -6.091 1.00 0.00 H new ATOM 0 HA ASN A 38 -17.325 12.431 -6.882 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -16.605 11.398 -4.442 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -15.447 12.705 -4.587 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -18.470 14.073 -2.892 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -17.257 12.831 -2.566 1.00 0.00 H new ATOM 611 N LYS A 39 -15.498 14.324 -7.048 1.00 0.00 N ATOM 612 CA LYS A 39 -14.533 15.269 -7.599 1.00 0.00 C ATOM 613 C LYS A 39 -13.832 16.042 -6.486 1.00 0.00 C ATOM 614 O LYS A 39 -12.689 16.471 -6.641 1.00 0.00 O ATOM 615 CB LYS A 39 -15.230 16.244 -8.550 1.00 0.00 C ATOM 616 CG LYS A 39 -16.350 17.036 -7.898 1.00 0.00 C ATOM 617 CD LYS A 39 -17.136 17.838 -8.921 1.00 0.00 C ATOM 618 CE LYS A 39 -16.286 18.937 -9.540 1.00 0.00 C ATOM 619 NZ LYS A 39 -17.119 19.963 -10.225 1.00 0.00 N ATOM 0 H LYS A 39 -16.338 14.756 -6.663 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.783 14.704 -8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.491 16.938 -8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -15.635 15.687 -9.395 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -17.021 16.355 -7.375 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.932 17.709 -7.150 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.500 17.173 -9.704 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -18.012 18.279 -8.445 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.688 19.414 -8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.590 18.498 -10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.503 20.694 -10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.671 19.513 -10.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.766 20.400 -9.538 1.00 0.00 H new ATOM 633 N ASP A 40 -14.524 16.214 -5.365 1.00 0.00 N ATOM 634 CA ASP A 40 -13.966 16.933 -4.225 1.00 0.00 C ATOM 635 C ASP A 40 -13.264 15.974 -3.269 1.00 0.00 C ATOM 636 O ASP A 40 -12.102 16.175 -2.916 1.00 0.00 O ATOM 637 CB ASP A 40 -15.068 17.693 -3.486 1.00 0.00 C ATOM 638 CG ASP A 40 -15.862 18.601 -4.405 1.00 0.00 C ATOM 639 OD1 ASP A 40 -15.250 19.487 -5.036 1.00 0.00 O ATOM 640 OD2 ASP A 40 -17.096 18.425 -4.493 1.00 0.00 O ATOM 0 H ASP A 40 -15.472 15.866 -5.221 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.232 17.646 -4.600 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.743 16.980 -3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.623 18.288 -2.688 1.00 0.00 H new ATOM 645 N TRP A 41 -13.976 14.933 -2.854 1.00 0.00 N ATOM 646 CA TRP A 41 -13.420 13.944 -1.937 1.00 0.00 C ATOM 647 C TRP A 41 -12.998 12.685 -2.686 1.00 0.00 C ATOM 648 O TRP A 41 -13.839 11.927 -3.170 1.00 0.00 O ATOM 649 CB TRP A 41 -14.442 13.590 -0.856 1.00 0.00 C ATOM 650 CG TRP A 41 -14.677 14.698 0.125 1.00 0.00 C ATOM 651 CD1 TRP A 41 -15.789 15.484 0.223 1.00 0.00 C ATOM 652 CD2 TRP A 41 -13.777 15.144 1.146 1.00 0.00 C ATOM 653 NE1 TRP A 41 -15.635 16.392 1.243 1.00 0.00 N ATOM 654 CE2 TRP A 41 -14.410 16.203 1.825 1.00 0.00 C ATOM 655 CE3 TRP A 41 -12.500 14.749 1.554 1.00 0.00 C ATOM 656 CZ2 TRP A 41 -13.806 16.872 2.887 1.00 0.00 C ATOM 657 CZ3 TRP A 41 -11.902 15.414 2.608 1.00 0.00 C ATOM 658 CH2 TRP A 41 -12.556 16.465 3.265 1.00 0.00 C ATOM 0 H TRP A 41 -14.939 14.751 -3.137 1.00 0.00 H new ATOM 0 HA TRP A 41 -12.538 14.377 -1.466 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -15.387 13.329 -1.332 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -14.100 12.705 -0.319 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -16.662 15.404 -0.408 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -16.322 17.093 1.521 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -11.990 13.939 1.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -14.307 17.683 3.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -10.914 15.119 2.931 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -12.063 16.964 4.086 1.00 0.00 H new ATOM 669 N TRP A 42 -11.691 12.467 -2.778 1.00 0.00 N ATOM 670 CA TRP A 42 -11.157 11.299 -3.469 1.00 0.00 C ATOM 671 C TRP A 42 -10.766 10.210 -2.475 1.00 0.00 C ATOM 672 O TRP A 42 -10.184 10.493 -1.427 1.00 0.00 O ATOM 673 CB TRP A 42 -9.947 11.691 -4.318 1.00 0.00 C ATOM 674 CG TRP A 42 -10.307 12.091 -5.717 1.00 0.00 C ATOM 675 CD1 TRP A 42 -11.553 12.390 -6.188 1.00 0.00 C ATOM 676 CD2 TRP A 42 -9.412 12.234 -6.825 1.00 0.00 C ATOM 677 NE1 TRP A 42 -11.487 12.710 -7.523 1.00 0.00 N ATOM 678 CE2 TRP A 42 -10.184 12.622 -7.937 1.00 0.00 C ATOM 679 CE3 TRP A 42 -8.033 12.073 -6.985 1.00 0.00 C ATOM 680 CZ2 TRP A 42 -9.621 12.851 -9.190 1.00 0.00 C ATOM 681 CZ3 TRP A 42 -7.476 12.300 -8.229 1.00 0.00 C ATOM 682 CH2 TRP A 42 -8.269 12.686 -9.318 1.00 0.00 C ATOM 0 H TRP A 42 -10.981 13.084 -2.383 1.00 0.00 H new ATOM 0 HA TRP A 42 -11.937 10.906 -4.122 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -9.425 12.517 -3.835 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -9.251 10.853 -4.355 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -12.458 12.377 -5.598 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -12.279 12.971 -8.110 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -7.414 11.776 -6.151 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -10.230 13.148 -10.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -6.411 12.178 -8.364 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -7.804 12.857 -10.277 1.00 0.00 H new ATOM 693 N LYS A 43 -11.087 8.966 -2.810 1.00 0.00 N ATOM 694 CA LYS A 43 -10.768 7.834 -1.948 1.00 0.00 C ATOM 695 C LYS A 43 -9.470 7.165 -2.388 1.00 0.00 C ATOM 696 O LYS A 43 -9.378 6.630 -3.493 1.00 0.00 O ATOM 697 CB LYS A 43 -11.910 6.815 -1.965 1.00 0.00 C ATOM 698 CG LYS A 43 -13.280 7.435 -1.751 1.00 0.00 C ATOM 699 CD LYS A 43 -14.321 6.382 -1.409 1.00 0.00 C ATOM 700 CE LYS A 43 -14.051 5.751 -0.052 1.00 0.00 C ATOM 701 NZ LYS A 43 -15.253 5.058 0.487 1.00 0.00 N ATOM 0 H LYS A 43 -11.569 8.715 -3.673 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.638 8.208 -0.932 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.903 6.290 -2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.732 6.070 -1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.227 8.170 -0.947 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -13.583 7.969 -2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -15.312 6.835 -1.410 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -14.324 5.609 -2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.230 5.039 -0.140 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.731 6.522 0.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.964 4.176 0.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -15.731 5.676 1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -15.905 4.837 -0.292 1.00 0.00 H new ATOM 715 N VAL A 44 -8.468 7.196 -1.514 1.00 0.00 N ATOM 716 CA VAL A 44 -7.175 6.590 -1.811 1.00 0.00 C ATOM 717 C VAL A 44 -6.742 5.646 -0.696 1.00 0.00 C ATOM 718 O VAL A 44 -7.219 5.744 0.434 1.00 0.00 O ATOM 719 CB VAL A 44 -6.087 7.661 -2.014 1.00 0.00 C ATOM 720 CG1 VAL A 44 -6.143 8.219 -3.428 1.00 0.00 C ATOM 721 CG2 VAL A 44 -6.236 8.773 -0.987 1.00 0.00 C ATOM 0 H VAL A 44 -8.527 7.634 -0.595 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.295 6.025 -2.735 1.00 0.00 H new ATOM 0 HB VAL A 44 -5.112 7.195 -1.872 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.367 8.974 -3.552 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.983 7.413 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.120 8.670 -3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.459 9.521 -1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.216 9.239 -1.095 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.140 8.357 0.016 1.00 0.00 H new ATOM 731 N GLU A 45 -5.834 4.731 -1.023 1.00 0.00 N ATOM 732 CA GLU A 45 -5.337 3.768 -0.047 1.00 0.00 C ATOM 733 C GLU A 45 -3.912 4.111 0.379 1.00 0.00 C ATOM 734 O GLU A 45 -3.082 4.499 -0.444 1.00 0.00 O ATOM 735 CB GLU A 45 -5.380 2.352 -0.627 1.00 0.00 C ATOM 736 CG GLU A 45 -4.791 1.298 0.295 1.00 0.00 C ATOM 737 CD GLU A 45 -5.245 -0.105 -0.058 1.00 0.00 C ATOM 738 OE1 GLU A 45 -4.915 -0.573 -1.168 1.00 0.00 O ATOM 739 OE2 GLU A 45 -5.930 -0.735 0.775 1.00 0.00 O ATOM 0 H GLU A 45 -5.429 4.637 -1.954 1.00 0.00 H new ATOM 0 HA GLU A 45 -5.982 3.814 0.831 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.415 2.091 -0.849 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.838 2.339 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -3.703 1.346 0.248 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.076 1.520 1.323 1.00 0.00 H new ATOM 746 N VAL A 46 -3.636 3.967 1.671 1.00 0.00 N ATOM 747 CA VAL A 46 -2.313 4.261 2.208 1.00 0.00 C ATOM 748 C VAL A 46 -1.710 3.036 2.887 1.00 0.00 C ATOM 749 O VAL A 46 -2.326 1.971 2.931 1.00 0.00 O ATOM 750 CB VAL A 46 -2.362 5.422 3.219 1.00 0.00 C ATOM 751 CG1 VAL A 46 -3.010 6.647 2.593 1.00 0.00 C ATOM 752 CG2 VAL A 46 -3.105 5.000 4.478 1.00 0.00 C ATOM 0 H VAL A 46 -4.312 3.648 2.366 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.687 4.550 1.364 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.341 5.683 3.497 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -3.036 7.457 3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.432 6.960 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.027 6.403 2.285 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.130 5.832 5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.124 4.712 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.594 4.153 4.936 1.00 0.00 H new ATOM 762 N LYS A 47 -0.502 3.194 3.415 1.00 0.00 N ATOM 763 CA LYS A 47 0.185 2.102 4.095 1.00 0.00 C ATOM 764 C LYS A 47 0.664 2.535 5.476 1.00 0.00 C ATOM 765 O LYS A 47 1.528 3.404 5.600 1.00 0.00 O ATOM 766 CB LYS A 47 1.374 1.622 3.259 1.00 0.00 C ATOM 767 CG LYS A 47 1.914 0.269 3.690 1.00 0.00 C ATOM 768 CD LYS A 47 2.867 -0.306 2.656 1.00 0.00 C ATOM 769 CE LYS A 47 2.147 -1.233 1.689 1.00 0.00 C ATOM 770 NZ LYS A 47 1.712 -0.520 0.456 1.00 0.00 N ATOM 0 H LYS A 47 0.023 4.068 3.385 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.522 1.282 4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.073 1.567 2.213 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.174 2.360 3.323 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.429 0.369 4.645 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.085 -0.422 3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.337 0.506 2.101 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.665 -0.852 3.159 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.806 -2.058 1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.278 -1.668 2.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.687 -0.639 0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.935 0.492 0.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.210 -0.915 -0.367 1.00 0.00 H new ATOM 784 N ILE A 48 0.098 1.925 6.512 1.00 0.00 N ATOM 785 CA ILE A 48 0.470 2.247 7.884 1.00 0.00 C ATOM 786 C ILE A 48 1.341 1.151 8.490 1.00 0.00 C ATOM 787 O ILE A 48 1.146 -0.034 8.219 1.00 0.00 O ATOM 788 CB ILE A 48 -0.773 2.448 8.771 1.00 0.00 C ATOM 789 CG1 ILE A 48 -1.642 3.581 8.221 1.00 0.00 C ATOM 790 CG2 ILE A 48 -0.358 2.740 10.206 1.00 0.00 C ATOM 791 CD1 ILE A 48 -3.103 3.457 8.593 1.00 0.00 C ATOM 0 H ILE A 48 -0.620 1.205 6.427 1.00 0.00 H new ATOM 0 HA ILE A 48 1.036 3.178 7.847 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.359 1.529 8.762 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.261 4.533 8.591 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.552 3.602 7.135 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.247 2.880 10.821 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.224 1.904 10.594 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.247 3.646 10.232 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.659 4.294 8.170 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.500 2.521 8.200 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.204 3.466 9.678 1.00 0.00 H new ATOM 803 N THR A 49 2.303 1.555 9.313 1.00 0.00 N ATOM 804 CA THR A 49 3.204 0.609 9.959 1.00 0.00 C ATOM 805 C THR A 49 3.132 0.728 11.477 1.00 0.00 C ATOM 806 O THR A 49 3.565 1.727 12.052 1.00 0.00 O ATOM 807 CB THR A 49 4.661 0.823 9.507 1.00 0.00 C ATOM 808 OG1 THR A 49 4.750 0.736 8.080 1.00 0.00 O ATOM 809 CG2 THR A 49 5.582 -0.209 10.141 1.00 0.00 C ATOM 0 H THR A 49 2.478 2.532 9.548 1.00 0.00 H new ATOM 0 HA THR A 49 2.881 -0.388 9.661 1.00 0.00 H new ATOM 0 HB THR A 49 4.976 1.815 9.830 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.679 0.875 7.801 1.00 0.00 H new ATOM 0 HG21 THR A 49 6.605 -0.038 9.807 1.00 0.00 H new ATOM 0 HG22 THR A 49 5.535 -0.121 11.226 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.266 -1.209 9.845 1.00 0.00 H new ATOM 817 N VAL A 50 2.583 -0.297 12.121 1.00 0.00 N ATOM 818 CA VAL A 50 2.456 -0.307 13.573 1.00 0.00 C ATOM 819 C VAL A 50 3.061 -1.574 14.169 1.00 0.00 C ATOM 820 O VAL A 50 2.729 -2.685 13.757 1.00 0.00 O ATOM 821 CB VAL A 50 0.982 -0.202 14.009 1.00 0.00 C ATOM 822 CG1 VAL A 50 0.879 -0.100 15.523 1.00 0.00 C ATOM 823 CG2 VAL A 50 0.314 0.990 13.339 1.00 0.00 C ATOM 0 H VAL A 50 2.219 -1.131 11.660 1.00 0.00 H new ATOM 0 HA VAL A 50 3.000 0.562 13.944 1.00 0.00 H new ATOM 0 HB VAL A 50 0.462 -1.107 13.694 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.169 -0.027 15.812 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.320 -0.987 15.978 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.413 0.787 15.865 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.727 1.050 13.657 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.834 1.905 13.623 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.356 0.870 12.256 1.00 0.00 H new ATOM 833 N ASN A 51 3.950 -1.398 15.141 1.00 0.00 N ATOM 834 CA ASN A 51 4.602 -2.527 15.794 1.00 0.00 C ATOM 835 C ASN A 51 5.309 -3.412 14.772 1.00 0.00 C ATOM 836 O ASN A 51 5.447 -4.619 14.969 1.00 0.00 O ATOM 837 CB ASN A 51 3.578 -3.351 16.576 1.00 0.00 C ATOM 838 CG ASN A 51 3.297 -2.772 17.950 1.00 0.00 C ATOM 839 OD1 ASN A 51 3.412 -3.463 18.962 1.00 0.00 O ATOM 840 ND2 ASN A 51 2.927 -1.497 17.990 1.00 0.00 N ATOM 0 H ASN A 51 4.235 -0.484 15.494 1.00 0.00 H new ATOM 0 HA ASN A 51 5.347 -2.134 16.486 1.00 0.00 H new ATOM 0 HB2 ASN A 51 2.648 -3.402 16.009 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.943 -4.372 16.683 1.00 0.00 H new ATOM 0 HD21 ASN A 51 2.725 -1.052 18.886 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.845 -0.962 17.125 1.00 0.00 H new ATOM 847 N GLY A 52 5.757 -2.803 13.678 1.00 0.00 N ATOM 848 CA GLY A 52 6.445 -3.550 12.642 1.00 0.00 C ATOM 849 C GLY A 52 5.490 -4.322 11.753 1.00 0.00 C ATOM 850 O GLY A 52 5.905 -5.205 11.002 1.00 0.00 O ATOM 0 H GLY A 52 5.655 -1.805 13.491 1.00 0.00 H new ATOM 0 HA2 GLY A 52 7.030 -2.863 12.031 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.148 -4.244 13.104 1.00 0.00 H new ATOM 854 N LYS A 53 4.207 -3.990 11.837 1.00 0.00 N ATOM 855 CA LYS A 53 3.189 -4.657 11.035 1.00 0.00 C ATOM 856 C LYS A 53 2.612 -3.709 9.988 1.00 0.00 C ATOM 857 O LYS A 53 2.227 -2.582 10.301 1.00 0.00 O ATOM 858 CB LYS A 53 2.068 -5.186 11.932 1.00 0.00 C ATOM 859 CG LYS A 53 2.489 -6.355 12.806 1.00 0.00 C ATOM 860 CD LYS A 53 2.644 -7.630 11.995 1.00 0.00 C ATOM 861 CE LYS A 53 3.671 -8.564 12.617 1.00 0.00 C ATOM 862 NZ LYS A 53 3.669 -9.903 11.965 1.00 0.00 N ATOM 0 H LYS A 53 3.847 -3.262 12.454 1.00 0.00 H new ATOM 0 HA LYS A 53 3.660 -5.495 10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.711 -4.377 12.569 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.229 -5.494 11.308 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.432 -6.120 13.300 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.748 -6.509 13.590 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.682 -8.138 11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.946 -7.381 10.978 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.663 -8.121 12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.462 -8.678 13.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.382 -10.510 12.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.730 -10.337 12.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.894 -9.798 10.955 1.00 0.00 H new ATOM 876 N THR A 54 2.553 -4.173 8.744 1.00 0.00 N ATOM 877 CA THR A 54 2.023 -3.366 7.652 1.00 0.00 C ATOM 878 C THR A 54 0.505 -3.486 7.567 1.00 0.00 C ATOM 879 O THR A 54 -0.039 -4.590 7.529 1.00 0.00 O ATOM 880 CB THR A 54 2.635 -3.779 6.300 1.00 0.00 C ATOM 881 OG1 THR A 54 3.222 -5.081 6.405 1.00 0.00 O ATOM 882 CG2 THR A 54 3.689 -2.776 5.855 1.00 0.00 C ATOM 0 H THR A 54 2.866 -5.104 8.467 1.00 0.00 H new ATOM 0 HA THR A 54 2.292 -2.331 7.864 1.00 0.00 H new ATOM 0 HB THR A 54 1.838 -3.799 5.556 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.607 -5.337 5.541 1.00 0.00 H new ATOM 0 HG21 THR A 54 4.107 -3.088 4.898 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.233 -1.792 5.748 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.483 -2.728 6.600 1.00 0.00 H new ATOM 890 N TYR A 55 -0.172 -2.344 7.536 1.00 0.00 N ATOM 891 CA TYR A 55 -1.628 -2.321 7.457 1.00 0.00 C ATOM 892 C TYR A 55 -2.096 -1.492 6.265 1.00 0.00 C ATOM 893 O TYR A 55 -1.461 -0.505 5.895 1.00 0.00 O ATOM 894 CB TYR A 55 -2.221 -1.756 8.749 1.00 0.00 C ATOM 895 CG TYR A 55 -1.946 -2.610 9.966 1.00 0.00 C ATOM 896 CD1 TYR A 55 -2.731 -3.720 10.252 1.00 0.00 C ATOM 897 CD2 TYR A 55 -0.900 -2.308 10.829 1.00 0.00 C ATOM 898 CE1 TYR A 55 -2.484 -4.503 11.363 1.00 0.00 C ATOM 899 CE2 TYR A 55 -0.644 -3.086 11.942 1.00 0.00 C ATOM 900 CZ TYR A 55 -1.439 -4.182 12.205 1.00 0.00 C ATOM 901 OH TYR A 55 -1.189 -4.960 13.312 1.00 0.00 O ATOM 0 H TYR A 55 0.264 -1.422 7.564 1.00 0.00 H new ATOM 0 HA TYR A 55 -1.975 -3.345 7.323 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -1.818 -0.757 8.918 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -3.299 -1.648 8.627 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -3.549 -3.975 9.594 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -0.276 -1.450 10.626 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -3.105 -5.361 11.571 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.174 -2.837 12.602 1.00 0.00 H new ATOM 0 HH TYR A 55 -0.419 -4.599 13.798 1.00 0.00 H new ATOM 911 N GLU A 56 -3.211 -1.902 5.669 1.00 0.00 N ATOM 912 CA GLU A 56 -3.765 -1.198 4.518 1.00 0.00 C ATOM 913 C GLU A 56 -5.156 -0.654 4.831 1.00 0.00 C ATOM 914 O GLU A 56 -5.930 -1.279 5.556 1.00 0.00 O ATOM 915 CB GLU A 56 -3.829 -2.128 3.306 1.00 0.00 C ATOM 916 CG GLU A 56 -2.512 -2.245 2.557 1.00 0.00 C ATOM 917 CD GLU A 56 -2.330 -3.602 1.905 1.00 0.00 C ATOM 918 OE1 GLU A 56 -3.350 -4.265 1.621 1.00 0.00 O ATOM 919 OE2 GLU A 56 -1.169 -4.001 1.678 1.00 0.00 O ATOM 0 H GLU A 56 -3.748 -2.717 5.964 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.109 -0.358 4.288 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.139 -3.120 3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.596 -1.766 2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.463 -1.469 1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.688 -2.065 3.248 1.00 0.00 H new ATOM 926 N ARG A 57 -5.467 0.514 4.278 1.00 0.00 N ATOM 927 CA ARG A 57 -6.763 1.143 4.498 1.00 0.00 C ATOM 928 C ARG A 57 -6.984 2.291 3.517 1.00 0.00 C ATOM 929 O ARG A 57 -6.036 2.956 3.102 1.00 0.00 O ATOM 930 CB ARG A 57 -6.866 1.659 5.935 1.00 0.00 C ATOM 931 CG ARG A 57 -6.000 2.877 6.208 1.00 0.00 C ATOM 932 CD ARG A 57 -6.820 4.158 6.194 1.00 0.00 C ATOM 933 NE ARG A 57 -7.458 4.414 7.482 1.00 0.00 N ATOM 934 CZ ARG A 57 -6.834 4.973 8.513 1.00 0.00 C ATOM 935 NH1 ARG A 57 -5.563 5.334 8.406 1.00 0.00 N ATOM 936 NH2 ARG A 57 -7.483 5.174 9.653 1.00 0.00 N ATOM 0 H ARG A 57 -4.838 1.044 3.674 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.536 0.392 4.332 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.905 1.907 6.149 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -6.581 0.860 6.620 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.511 2.767 7.176 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.212 2.940 5.458 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.175 4.998 5.936 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.583 4.091 5.418 1.00 0.00 H new ATOM 0 HE ARG A 57 -8.436 4.149 7.597 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.062 5.183 7.531 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -5.086 5.763 9.199 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -8.462 4.899 9.738 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -7.003 5.603 10.444 1.00 0.00 H new ATOM 950 N GLN A 58 -8.242 2.516 3.152 1.00 0.00 N ATOM 951 CA GLN A 58 -8.587 3.582 2.219 1.00 0.00 C ATOM 952 C GLN A 58 -9.368 4.688 2.922 1.00 0.00 C ATOM 953 O GLN A 58 -10.217 4.419 3.771 1.00 0.00 O ATOM 954 CB GLN A 58 -9.406 3.024 1.054 1.00 0.00 C ATOM 955 CG GLN A 58 -10.731 2.412 1.479 1.00 0.00 C ATOM 956 CD GLN A 58 -11.910 2.990 0.722 1.00 0.00 C ATOM 957 OE1 GLN A 58 -12.950 3.294 1.308 1.00 0.00 O ATOM 958 NE2 GLN A 58 -11.755 3.144 -0.588 1.00 0.00 N ATOM 0 H GLN A 58 -9.039 1.975 3.488 1.00 0.00 H new ATOM 0 HA GLN A 58 -7.661 4.006 1.832 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -9.598 3.824 0.339 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -8.816 2.268 0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -10.696 1.334 1.321 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -10.875 2.574 2.547 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -10.876 2.879 -1.032 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -12.515 3.528 -1.150 1.00 0.00 H new ATOM 967 N GLY A 59 -9.075 5.934 2.561 1.00 0.00 N ATOM 968 CA GLY A 59 -9.759 7.062 3.167 1.00 0.00 C ATOM 969 C GLY A 59 -10.014 8.183 2.179 1.00 0.00 C ATOM 970 O GLY A 59 -9.453 8.195 1.083 1.00 0.00 O ATOM 0 H GLY A 59 -8.377 6.182 1.860 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.708 6.726 3.584 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.163 7.442 3.997 1.00 0.00 H new ATOM 974 N PHE A 60 -10.864 9.129 2.567 1.00 0.00 N ATOM 975 CA PHE A 60 -11.194 10.259 1.706 1.00 0.00 C ATOM 976 C PHE A 60 -10.174 11.382 1.868 1.00 0.00 C ATOM 977 O PHE A 60 -9.604 11.568 2.943 1.00 0.00 O ATOM 978 CB PHE A 60 -12.597 10.778 2.028 1.00 0.00 C ATOM 979 CG PHE A 60 -13.647 9.704 2.035 1.00 0.00 C ATOM 980 CD1 PHE A 60 -13.836 8.909 3.154 1.00 0.00 C ATOM 981 CD2 PHE A 60 -14.445 9.490 0.923 1.00 0.00 C ATOM 982 CE1 PHE A 60 -14.801 7.920 3.163 1.00 0.00 C ATOM 983 CE2 PHE A 60 -15.412 8.502 0.927 1.00 0.00 C ATOM 984 CZ PHE A 60 -15.591 7.717 2.049 1.00 0.00 C ATOM 0 H PHE A 60 -11.336 9.135 3.471 1.00 0.00 H new ATOM 0 HA PHE A 60 -11.169 9.916 0.672 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.581 11.265 3.003 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -12.871 11.538 1.297 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -13.222 9.064 4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -14.310 10.102 0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.937 7.306 4.041 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.027 8.344 0.053 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.347 6.946 2.055 1.00 0.00 H new ATOM 994 N VAL A 61 -9.950 12.129 0.791 1.00 0.00 N ATOM 995 CA VAL A 61 -8.999 13.234 0.813 1.00 0.00 C ATOM 996 C VAL A 61 -9.358 14.287 -0.230 1.00 0.00 C ATOM 997 O VAL A 61 -10.022 14.007 -1.229 1.00 0.00 O ATOM 998 CB VAL A 61 -7.562 12.744 0.558 1.00 0.00 C ATOM 999 CG1 VAL A 61 -6.991 12.092 1.808 1.00 0.00 C ATOM 1000 CG2 VAL A 61 -7.529 11.780 -0.619 1.00 0.00 C ATOM 0 H VAL A 61 -10.414 11.989 -0.107 1.00 0.00 H new ATOM 0 HA VAL A 61 -9.052 13.677 1.807 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.941 13.605 0.310 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.975 11.752 1.609 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.978 12.816 2.623 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.610 11.240 2.089 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -6.506 11.444 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.163 10.920 -0.403 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.895 12.285 -1.513 1.00 0.00 H new ATOM 1010 N PRO A 62 -8.908 15.529 0.004 1.00 0.00 N ATOM 1011 CA PRO A 62 -9.168 16.649 -0.905 1.00 0.00 C ATOM 1012 C PRO A 62 -8.409 16.517 -2.221 1.00 0.00 C ATOM 1013 O PRO A 62 -7.187 16.661 -2.260 1.00 0.00 O ATOM 1014 CB PRO A 62 -8.670 17.865 -0.120 1.00 0.00 C ATOM 1015 CG PRO A 62 -7.648 17.320 0.815 1.00 0.00 C ATOM 1016 CD PRO A 62 -8.111 15.935 1.173 1.00 0.00 C ATOM 0 HA PRO A 62 -10.219 16.708 -1.189 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.240 18.615 -0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -9.484 18.347 0.421 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.664 17.294 0.346 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.560 17.944 1.704 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.271 15.261 1.340 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.707 15.934 2.086 1.00 0.00 H new ATOM 1024 N ALA A 63 -9.140 16.242 -3.296 1.00 0.00 N ATOM 1025 CA ALA A 63 -8.535 16.093 -4.614 1.00 0.00 C ATOM 1026 C ALA A 63 -7.841 17.380 -5.048 1.00 0.00 C ATOM 1027 O ALA A 63 -6.848 17.346 -5.774 1.00 0.00 O ATOM 1028 CB ALA A 63 -9.588 15.688 -5.635 1.00 0.00 C ATOM 0 H ALA A 63 -10.152 16.118 -3.280 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.782 15.307 -4.555 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -9.122 15.580 -6.615 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -10.035 14.739 -5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.362 16.454 -5.683 1.00 0.00 H new ATOM 1034 N ALA A 64 -8.371 18.513 -4.599 1.00 0.00 N ATOM 1035 CA ALA A 64 -7.802 19.810 -4.940 1.00 0.00 C ATOM 1036 C ALA A 64 -6.402 19.966 -4.356 1.00 0.00 C ATOM 1037 O ALA A 64 -5.653 20.863 -4.745 1.00 0.00 O ATOM 1038 CB ALA A 64 -8.708 20.930 -4.451 1.00 0.00 C ATOM 0 H ALA A 64 -9.194 18.558 -3.998 1.00 0.00 H new ATOM 0 HA ALA A 64 -7.723 19.870 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.270 21.893 -4.713 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -9.687 20.837 -4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.817 20.863 -3.369 1.00 0.00 H new ATOM 1044 N TYR A 65 -6.056 19.090 -3.420 1.00 0.00 N ATOM 1045 CA TYR A 65 -4.746 19.133 -2.780 1.00 0.00 C ATOM 1046 C TYR A 65 -3.812 18.087 -3.380 1.00 0.00 C ATOM 1047 O TYR A 65 -2.624 18.043 -3.061 1.00 0.00 O ATOM 1048 CB TYR A 65 -4.884 18.905 -1.274 1.00 0.00 C ATOM 1049 CG TYR A 65 -5.406 20.110 -0.524 1.00 0.00 C ATOM 1050 CD1 TYR A 65 -6.654 20.647 -0.815 1.00 0.00 C ATOM 1051 CD2 TYR A 65 -4.651 20.711 0.476 1.00 0.00 C ATOM 1052 CE1 TYR A 65 -7.134 21.748 -0.133 1.00 0.00 C ATOM 1053 CE2 TYR A 65 -5.124 21.812 1.164 1.00 0.00 C ATOM 1054 CZ TYR A 65 -6.365 22.327 0.855 1.00 0.00 C ATOM 1055 OH TYR A 65 -6.841 23.423 1.538 1.00 0.00 O ATOM 0 H TYR A 65 -6.664 18.341 -3.087 1.00 0.00 H new ATOM 0 HA TYR A 65 -4.317 20.120 -2.954 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -5.554 18.063 -1.103 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -3.912 18.627 -0.867 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -7.259 20.196 -1.588 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -3.678 20.311 0.720 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.106 22.153 -0.372 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -4.525 22.266 1.939 1.00 0.00 H new ATOM 0 HH TYR A 65 -6.178 23.708 2.201 1.00 0.00 H new ATOM 1065 N VAL A 66 -4.358 17.246 -4.253 1.00 0.00 N ATOM 1066 CA VAL A 66 -3.574 16.201 -4.901 1.00 0.00 C ATOM 1067 C VAL A 66 -3.806 16.195 -6.408 1.00 0.00 C ATOM 1068 O VAL A 66 -4.554 17.018 -6.936 1.00 0.00 O ATOM 1069 CB VAL A 66 -3.916 14.811 -4.334 1.00 0.00 C ATOM 1070 CG1 VAL A 66 -3.665 14.769 -2.835 1.00 0.00 C ATOM 1071 CG2 VAL A 66 -5.358 14.446 -4.652 1.00 0.00 C ATOM 0 H VAL A 66 -5.340 17.268 -4.528 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.525 16.420 -4.699 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.266 14.075 -4.807 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -3.912 13.779 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.615 14.983 -2.636 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.287 15.515 -2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.582 13.461 -4.244 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.026 15.184 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.500 14.432 -5.733 1.00 0.00 H new ATOM 1081 N LYS A 67 -3.161 15.260 -7.096 1.00 0.00 N ATOM 1082 CA LYS A 67 -3.297 15.143 -8.543 1.00 0.00 C ATOM 1083 C LYS A 67 -2.832 13.772 -9.025 1.00 0.00 C ATOM 1084 O LYS A 67 -2.023 13.114 -8.371 1.00 0.00 O ATOM 1085 CB LYS A 67 -2.492 16.241 -9.242 1.00 0.00 C ATOM 1086 CG LYS A 67 -1.012 16.223 -8.897 1.00 0.00 C ATOM 1087 CD LYS A 67 -0.215 15.408 -9.902 1.00 0.00 C ATOM 1088 CE LYS A 67 0.254 16.265 -11.068 1.00 0.00 C ATOM 1089 NZ LYS A 67 0.742 15.437 -12.205 1.00 0.00 N ATOM 0 H LYS A 67 -2.538 14.571 -6.674 1.00 0.00 H new ATOM 0 HA LYS A 67 -4.351 15.258 -8.794 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.607 16.133 -10.321 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.908 17.212 -8.973 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -0.631 17.244 -8.871 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.875 15.806 -7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.647 14.961 -9.407 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -0.828 14.588 -10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.566 16.898 -11.406 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.052 16.928 -10.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.558 15.934 -13.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.764 15.275 -12.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.245 14.523 -12.208 1.00 0.00 H new ATOM 1103 N LYS A 68 -3.349 13.347 -10.173 1.00 0.00 N ATOM 1104 CA LYS A 68 -2.985 12.056 -10.744 1.00 0.00 C ATOM 1105 C LYS A 68 -1.504 12.018 -11.105 1.00 0.00 C ATOM 1106 O LYS A 68 -1.004 12.893 -11.813 1.00 0.00 O ATOM 1107 CB LYS A 68 -3.831 11.769 -11.987 1.00 0.00 C ATOM 1108 CG LYS A 68 -3.942 10.291 -12.319 1.00 0.00 C ATOM 1109 CD LYS A 68 -4.880 10.051 -13.490 1.00 0.00 C ATOM 1110 CE LYS A 68 -4.929 8.580 -13.873 1.00 0.00 C ATOM 1111 NZ LYS A 68 -3.711 8.160 -14.621 1.00 0.00 N ATOM 0 H LYS A 68 -4.022 13.878 -10.726 1.00 0.00 H new ATOM 0 HA LYS A 68 -3.178 11.288 -9.995 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.831 12.175 -11.837 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.399 12.293 -12.839 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.954 9.895 -12.556 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.302 9.747 -11.446 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.882 10.394 -13.231 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.552 10.640 -14.346 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.029 7.974 -12.973 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.812 8.393 -14.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.983 7.529 -15.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.233 9.000 -15.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -3.065 7.658 -13.979 1.00 0.00 H new ATOM 1125 N LEU A 69 -0.806 10.999 -10.615 1.00 0.00 N ATOM 1126 CA LEU A 69 0.619 10.846 -10.888 1.00 0.00 C ATOM 1127 C LEU A 69 0.898 10.920 -12.386 1.00 0.00 C ATOM 1128 O LEU A 69 1.796 11.638 -12.825 1.00 0.00 O ATOM 1129 CB LEU A 69 1.125 9.515 -10.328 1.00 0.00 C ATOM 1130 CG LEU A 69 2.603 9.206 -10.567 1.00 0.00 C ATOM 1131 CD1 LEU A 69 3.476 10.343 -10.060 1.00 0.00 C ATOM 1132 CD2 LEU A 69 2.989 7.895 -9.897 1.00 0.00 C ATOM 0 H LEU A 69 -1.204 10.267 -10.027 1.00 0.00 H new ATOM 0 HA LEU A 69 1.148 11.664 -10.398 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.941 9.502 -9.254 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.531 8.711 -10.763 1.00 0.00 H new ATOM 0 HG LEU A 69 2.763 9.104 -11.640 1.00 0.00 H new ATOM 0 HD11 LEU A 69 4.524 10.104 -10.239 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.218 11.262 -10.586 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.312 10.479 -8.991 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.044 7.691 -10.078 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.812 7.969 -8.824 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.387 7.085 -10.309 1.00 0.00 H new ATOM 1144 N ASP A 70 0.122 10.174 -13.164 1.00 0.00 N ATOM 1145 CA ASP A 70 0.283 10.157 -14.613 1.00 0.00 C ATOM 1146 C ASP A 70 -1.029 10.504 -15.310 1.00 0.00 C ATOM 1147 O ASP A 70 -1.485 9.777 -16.194 1.00 0.00 O ATOM 1148 CB ASP A 70 0.774 8.785 -15.077 1.00 0.00 C ATOM 1149 CG ASP A 70 2.190 8.493 -14.622 1.00 0.00 C ATOM 1150 OD1 ASP A 70 3.108 9.237 -15.026 1.00 0.00 O ATOM 1151 OD2 ASP A 70 2.381 7.519 -13.863 1.00 0.00 O ATOM 0 H ASP A 70 -0.625 9.573 -12.816 1.00 0.00 H new ATOM 0 HA ASP A 70 1.025 10.909 -14.880 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.106 8.014 -14.693 1.00 0.00 H new ATOM 0 HB3 ASP A 70 0.727 8.734 -16.165 1.00 0.00 H new TER 1156 ASP A 70