USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 THR OG1 : rot -38:sc= 0.00295 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.268 K(o=0.27,f=-3.9!) USER MOD Set 2.1: A 7 THR OG1 : rot 113:sc= 0.0892 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.136 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 1.84 (180deg=1.79) USER MOD Single : A 2 GLN : amide:sc=-0.00529 X(o=-0.0053,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -115:sc= 1.2 (180deg=-0.882) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 47:sc= 0.03 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= 1.1 (180deg=0.868) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 1.22 (180deg=1.12) USER MOD Single : A 31 GLN : amide:sc= -0.0561 K(o=-0.056,f=-0.99) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.000724 K(o=-0.00072,f=-0.59) USER MOD Single : A 41 GLN : amide:sc= 1.24 K(o=1.2,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= 0.292 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 92:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc=-0.00952 X(o=-0.0095,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.188 -7.251 -5.178 1.00 9.67 N ATOM 2 CA MET A 1 11.144 -7.781 -3.773 1.00 10.38 C ATOM 3 C MET A 1 9.768 -7.928 -3.153 1.00 9.62 C ATOM 4 O MET A 1 8.781 -7.306 -3.604 1.00 9.62 O ATOM 5 CB MET A 1 11.979 -6.766 -2.989 1.00 13.77 C ATOM 6 CG MET A 1 11.473 -5.290 -2.894 1.00 16.29 C ATOM 7 SD MET A 1 12.441 -4.330 -1.746 1.00 17.17 S ATOM 8 CE MET A 1 11.157 -3.099 -1.348 1.00 16.11 C ATOM 0 H1 MET A 1 12.178 -7.130 -5.472 1.00 9.67 H new ATOM 0 H2 MET A 1 10.717 -7.922 -5.817 1.00 9.67 H new ATOM 0 H3 MET A 1 10.700 -6.334 -5.218 1.00 9.67 H new ATOM 0 HA MET A 1 11.515 -8.806 -3.757 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.089 -7.144 -1.972 1.00 13.77 H new ATOM 0 HB3 MET A 1 12.975 -6.746 -3.431 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.515 -4.827 -3.880 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.428 -5.283 -2.583 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.552 -2.381 -0.629 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.860 -2.576 -2.257 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.291 -3.603 -0.919 1.00 16.11 H new ATOM 20 N GLN A 2 9.600 -8.735 -2.114 1.00 9.27 N ATOM 21 CA GLN A 2 8.289 -9.078 -1.540 1.00 9.07 C ATOM 22 C GLN A 2 7.844 -8.176 -0.379 1.00 8.72 C ATOM 23 O GLN A 2 8.565 -8.201 0.624 1.00 8.22 O ATOM 24 CB GLN A 2 8.335 -10.518 -1.148 1.00 14.46 C ATOM 25 CG GLN A 2 7.055 -11.202 -0.612 1.00 17.01 C ATOM 26 CD GLN A 2 7.349 -12.606 -0.238 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.093 -12.978 0.919 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.737 -13.466 -1.198 1.00 19.49 N ATOM 0 H GLN A 2 10.380 -9.182 -1.632 1.00 9.27 H new ATOM 0 HA GLN A 2 7.526 -8.904 -2.299 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.667 -11.083 -2.019 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.106 -10.625 -0.385 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.677 -10.658 0.254 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.273 -11.175 -1.371 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.939 -13.124 -2.138 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.829 -14.459 -0.986 1.00 19.49 H new ATOM 37 N ILE A 3 6.755 -7.422 -0.433 1.00 5.87 N ATOM 38 CA ILE A 3 6.195 -6.795 0.788 1.00 5.07 C ATOM 39 C ILE A 3 4.921 -7.455 1.200 1.00 4.01 C ATOM 40 O ILE A 3 4.112 -7.867 0.392 1.00 4.61 O ATOM 41 CB ILE A 3 6.000 -5.270 0.912 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.079 -4.760 -0.232 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.393 -4.590 0.946 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.736 -3.283 -0.047 1.00 10.83 C ATOM 0 H ILE A 3 6.237 -7.223 -1.289 1.00 5.87 H new ATOM 0 HA ILE A 3 7.045 -6.970 1.448 1.00 5.07 H new ATOM 0 HB ILE A 3 5.494 -5.010 1.842 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.574 -4.904 -1.192 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.162 -5.349 -0.255 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.269 -3.511 1.034 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.958 -4.961 1.801 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.933 -4.820 0.027 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.091 -2.954 -0.862 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.219 -3.146 0.903 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.653 -2.693 -0.050 1.00 10.83 H new ATOM 56 N PHE A 4 4.629 -7.520 2.502 1.00 4.55 N ATOM 57 CA PHE A 4 3.328 -7.982 3.014 1.00 4.68 C ATOM 58 C PHE A 4 2.413 -6.754 3.074 1.00 5.30 C ATOM 59 O PHE A 4 2.785 -5.609 3.417 1.00 5.58 O ATOM 60 CB PHE A 4 3.469 -8.518 4.443 1.00 4.83 C ATOM 61 CG PHE A 4 4.351 -9.672 4.321 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.881 -10.858 3.708 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.616 -9.659 4.885 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.630 -12.018 3.775 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.371 -10.807 4.970 1.00 10.61 C ATOM 66 CZ PHE A 4 5.879 -12.046 4.397 1.00 8.90 C ATOM 0 H PHE A 4 5.287 -7.254 3.235 1.00 4.55 H new ATOM 0 HA PHE A 4 2.938 -8.771 2.371 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.892 -7.765 5.108 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.501 -8.801 4.857 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.935 -10.857 3.187 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.017 -8.731 5.265 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.239 -12.924 3.336 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.331 -10.785 5.464 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.458 -12.956 4.450 1.00 8.90 H new ATOM 76 N VAL A 5 1.111 -6.977 2.859 1.00 4.44 N ATOM 77 CA VAL A 5 0.088 -5.953 3.226 1.00 3.87 C ATOM 78 C VAL A 5 -0.962 -6.677 4.027 1.00 4.93 C ATOM 79 O VAL A 5 -1.621 -7.596 3.487 1.00 6.84 O ATOM 80 CB VAL A 5 -0.584 -5.362 1.984 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.778 -4.442 2.341 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.496 -4.522 1.197 1.00 9.13 C ATOM 0 H VAL A 5 0.734 -7.829 2.445 1.00 4.44 H new ATOM 0 HA VAL A 5 0.559 -5.138 3.775 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.975 -6.182 1.382 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.220 -4.048 1.426 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.527 -5.014 2.889 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.428 -3.616 2.960 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.042 -4.089 0.306 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.873 -3.724 1.836 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.321 -5.172 0.905 1.00 9.13 H new ATOM 92 N LYS A 6 -1.195 -6.239 5.263 1.00 6.04 N ATOM 93 CA LYS A 6 -2.014 -6.870 6.296 1.00 6.12 C ATOM 94 C LYS A 6 -3.228 -5.988 6.617 1.00 6.57 C ATOM 95 O LYS A 6 -3.071 -4.798 6.667 1.00 5.76 O ATOM 96 CB LYS A 6 -1.217 -7.233 7.574 1.00 7.45 C ATOM 97 CG LYS A 6 -1.990 -8.097 8.534 1.00 11.12 C ATOM 98 CD LYS A 6 -1.002 -8.585 9.613 1.00 14.54 C ATOM 99 CE LYS A 6 -1.358 -9.955 10.212 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.396 -10.585 11.120 1.00 20.55 N ATOM 0 H LYS A 6 -0.784 -5.366 5.594 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.363 -7.821 5.893 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.301 -7.750 7.288 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -0.920 -6.315 8.081 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.805 -7.533 8.987 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.438 -8.943 8.013 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.003 -8.638 9.180 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.963 -7.848 10.415 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.301 -9.849 10.748 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -1.536 -10.643 9.386 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.771 -11.500 11.443 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.504 -10.736 10.622 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.237 -9.967 11.941 1.00 20.55 H new ATOM 114 N THR A 7 -4.403 -6.572 7.030 1.00 7.41 N ATOM 115 CA THR A 7 -5.604 -5.851 7.490 1.00 7.48 C ATOM 116 C THR A 7 -5.960 -6.174 8.937 1.00 8.75 C ATOM 117 O THR A 7 -5.341 -7.066 9.572 1.00 8.58 O ATOM 118 CB THR A 7 -6.848 -5.988 6.688 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.297 -7.361 6.688 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.544 -5.672 5.182 1.00 9.17 C ATOM 0 H THR A 7 -4.525 -7.585 7.046 1.00 7.41 H new ATOM 0 HA THR A 7 -5.272 -4.821 7.363 1.00 7.48 H new ATOM 0 HB THR A 7 -7.587 -5.313 7.120 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.143 -7.428 7.177 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.458 -5.773 4.597 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.167 -4.653 5.093 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.795 -6.370 4.808 1.00 9.17 H new ATOM 128 N LEU A 8 -6.909 -5.429 9.524 1.00 9.84 N ATOM 129 CA LEU A 8 -7.531 -5.537 10.818 1.00 14.15 C ATOM 130 C LEU A 8 -8.047 -7.013 11.122 1.00 17.37 C ATOM 131 O LEU A 8 -8.103 -7.373 12.320 1.00 17.01 O ATOM 132 CB LEU A 8 -8.757 -4.649 10.983 1.00 16.63 C ATOM 133 CG LEU A 8 -8.463 -3.124 11.130 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.820 -2.337 11.145 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.655 -2.656 12.339 1.00 18.59 C ATOM 0 H LEU A 8 -7.298 -4.634 9.017 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.738 -5.231 11.500 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.409 -4.795 10.122 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.310 -4.982 11.861 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.825 -2.918 10.271 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.621 -1.270 11.248 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.356 -2.518 10.213 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.427 -2.675 11.985 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.535 -1.573 12.299 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.179 -2.930 13.255 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.674 -3.130 12.327 1.00 18.59 H new ATOM 147 N THR A 9 -8.440 -7.770 10.108 1.00 18.33 N ATOM 148 CA THR A 9 -9.039 -9.108 10.357 1.00 19.24 C ATOM 149 C THR A 9 -8.028 -10.239 10.343 1.00 19.48 C ATOM 150 O THR A 9 -8.355 -11.424 10.445 1.00 23.14 O ATOM 151 CB THR A 9 -9.984 -9.401 9.227 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.377 -9.098 7.976 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.174 -8.425 9.309 1.00 19.70 C ATOM 0 H THR A 9 -8.366 -7.507 9.125 1.00 18.33 H new ATOM 0 HA THR A 9 -9.505 -9.065 11.341 1.00 19.24 H new ATOM 0 HB THR A 9 -10.270 -10.450 9.301 1.00 18.97 H new ATOM 0 HG1 THR A 9 -10.006 -9.296 7.251 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.868 -8.628 8.493 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.687 -8.555 10.262 1.00 19.70 H new ATOM 0 HG23 THR A 9 -10.810 -7.400 9.230 1.00 19.70 H new ATOM 161 N GLY A 10 -6.698 -9.894 10.135 1.00 19.43 N ATOM 162 CA GLY A 10 -5.583 -10.794 10.235 1.00 18.74 C ATOM 163 C GLY A 10 -5.215 -11.225 8.814 1.00 17.62 C ATOM 164 O GLY A 10 -4.300 -12.040 8.725 1.00 19.74 O ATOM 0 H GLY A 10 -6.417 -8.945 9.889 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.737 -10.305 10.719 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.842 -11.660 10.844 1.00 18.74 H new ATOM 168 N LYS A 11 -5.885 -10.751 7.748 1.00 13.56 N ATOM 169 CA LYS A 11 -5.575 -11.108 6.338 1.00 11.91 C ATOM 170 C LYS A 11 -4.256 -10.488 5.864 1.00 10.18 C ATOM 171 O LYS A 11 -4.098 -9.256 5.981 1.00 9.10 O ATOM 172 CB LYS A 11 -6.535 -10.733 5.223 1.00 13.43 C ATOM 173 CG LYS A 11 -6.417 -11.545 3.964 1.00 16.69 C ATOM 174 CD LYS A 11 -7.511 -11.227 2.927 1.00 17.92 C ATOM 175 CE LYS A 11 -7.381 -12.069 1.609 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.503 -11.694 0.739 1.00 21.93 N ATOM 0 H LYS A 11 -6.667 -10.102 7.835 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.599 -12.192 6.454 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.554 -10.825 5.599 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.381 -9.683 4.973 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.439 -11.367 3.516 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.464 -12.604 4.218 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.489 -11.411 3.373 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.469 -10.167 2.678 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.429 -11.868 1.117 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.406 -13.136 1.830 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -9.129 -12.514 0.607 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.038 -10.917 1.177 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.138 -11.385 -0.185 1.00 21.93 H new ATOM 190 N THR A 12 -3.379 -11.219 5.114 1.00 9.63 N ATOM 191 CA THR A 12 -2.199 -10.663 4.501 1.00 9.85 C ATOM 192 C THR A 12 -2.171 -11.092 3.026 1.00 11.66 C ATOM 193 O THR A 12 -2.448 -12.223 2.720 1.00 12.33 O ATOM 194 CB THR A 12 -1.033 -11.179 5.201 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.205 -11.134 6.608 1.00 10.91 O ATOM 196 CG2 THR A 12 0.169 -10.231 4.876 1.00 9.63 C ATOM 0 H THR A 12 -3.499 -12.216 4.935 1.00 9.63 H new ATOM 0 HA THR A 12 -2.200 -9.574 4.558 1.00 9.85 H new ATOM 0 HB THR A 12 -0.872 -12.210 4.886 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.404 -11.489 7.047 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.063 -10.589 5.386 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.344 -10.221 3.800 1.00 9.63 H new ATOM 0 HG23 THR A 12 -0.062 -9.221 5.215 1.00 9.63 H new ATOM 204 N ILE A 13 -1.689 -10.211 2.194 1.00 10.42 N ATOM 205 CA ILE A 13 -1.478 -10.446 0.756 1.00 11.84 C ATOM 206 C ILE A 13 0.005 -10.100 0.555 1.00 10.55 C ATOM 207 O ILE A 13 0.593 -9.316 1.321 1.00 11.92 O ATOM 208 CB ILE A 13 -2.459 -9.679 -0.127 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.388 -8.156 0.122 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.848 -10.299 0.054 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.323 -7.393 -0.887 1.00 16.46 C ATOM 0 H ILE A 13 -1.417 -9.273 2.488 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.685 -11.471 0.447 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.191 -9.775 -1.179 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.689 -7.934 1.146 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.361 -7.810 0.009 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.568 -9.767 -0.568 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.819 -11.348 -0.241 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.147 -10.224 1.100 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.263 -6.321 -0.700 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.003 -7.601 -1.908 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.352 -7.727 -0.754 1.00 16.46 H new ATOM 223 N THR A 14 0.610 -10.736 -0.459 1.00 9.39 N ATOM 224 CA THR A 14 2.087 -10.623 -0.793 1.00 9.63 C ATOM 225 C THR A 14 2.250 -9.896 -2.122 1.00 11.20 C ATOM 226 O THR A 14 1.790 -10.500 -3.092 1.00 11.63 O ATOM 227 CB THR A 14 2.827 -11.991 -0.897 1.00 10.38 C ATOM 228 OG1 THR A 14 1.959 -12.995 -1.461 1.00 16.30 O ATOM 229 CG2 THR A 14 3.168 -12.494 0.514 1.00 11.66 C ATOM 0 H THR A 14 0.106 -11.356 -1.093 1.00 9.39 H new ATOM 0 HA THR A 14 2.537 -10.076 0.035 1.00 9.63 H new ATOM 0 HB THR A 14 3.713 -11.840 -1.513 1.00 10.38 H new ATOM 0 HG1 THR A 14 1.508 -12.631 -2.251 1.00 16.30 H new ATOM 0 HG21 THR A 14 3.686 -13.451 0.444 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.811 -11.769 1.013 1.00 11.66 H new ATOM 0 HG23 THR A 14 2.250 -12.620 1.087 1.00 11.66 H new ATOM 237 N LEU A 15 2.988 -8.770 -2.205 1.00 8.29 N ATOM 238 CA LEU A 15 3.141 -7.924 -3.382 1.00 9.03 C ATOM 239 C LEU A 15 4.564 -7.976 -3.831 1.00 8.59 C ATOM 240 O LEU A 15 5.516 -8.306 -3.119 1.00 7.79 O ATOM 241 CB LEU A 15 2.801 -6.507 -3.173 1.00 11.08 C ATOM 242 CG LEU A 15 1.387 -6.228 -2.680 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.242 -4.704 -2.552 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.280 -6.828 -3.547 1.00 15.27 C ATOM 0 H LEU A 15 3.516 -8.418 -1.406 1.00 8.29 H new ATOM 0 HA LEU A 15 2.441 -8.318 -4.118 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.505 -6.087 -2.455 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.949 -5.975 -4.113 1.00 11.08 H new ATOM 0 HG LEU A 15 1.256 -6.724 -1.718 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.239 -4.462 -2.200 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.977 -4.327 -1.841 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.407 -4.240 -3.524 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.692 -6.579 -3.120 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.348 -6.422 -4.556 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.393 -7.911 -3.583 1.00 15.27 H new ATOM 256 N GLU A 16 4.785 -7.718 -5.129 1.00 11.04 N ATOM 257 CA GLU A 16 6.111 -7.780 -5.776 1.00 11.50 C ATOM 258 C GLU A 16 6.398 -6.431 -6.217 1.00 10.13 C ATOM 259 O GLU A 16 5.730 -5.971 -7.159 1.00 9.83 O ATOM 260 CB GLU A 16 6.198 -8.658 -6.956 1.00 17.22 C ATOM 261 CG GLU A 16 7.575 -8.944 -7.531 1.00 23.33 C ATOM 262 CD GLU A 16 8.457 -9.842 -6.699 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.961 -10.910 -6.251 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.585 -9.413 -6.411 1.00 28.86 O ATOM 0 H GLU A 16 4.037 -7.456 -5.772 1.00 11.04 H new ATOM 0 HA GLU A 16 6.810 -8.192 -5.048 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.739 -9.612 -6.697 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.591 -8.217 -7.746 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.451 -9.397 -8.515 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.091 -7.995 -7.680 1.00 23.33 H new ATOM 271 N VAL A 17 7.317 -5.734 -5.540 1.00 8.99 N ATOM 272 CA VAL A 17 7.537 -4.289 -5.634 1.00 8.85 C ATOM 273 C VAL A 17 9.022 -3.984 -5.771 1.00 8.04 C ATOM 274 O VAL A 17 9.915 -4.774 -5.502 1.00 8.99 O ATOM 275 CB VAL A 17 7.121 -3.612 -4.308 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.520 -3.547 -4.280 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.692 -4.215 -3.001 1.00 10.54 C ATOM 0 H VAL A 17 7.955 -6.183 -4.883 1.00 8.99 H new ATOM 0 HA VAL A 17 6.965 -3.931 -6.490 1.00 8.85 H new ATOM 0 HB VAL A 17 7.576 -2.621 -4.313 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.191 -3.073 -3.355 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.164 -2.966 -5.131 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.114 -4.557 -4.335 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.323 -3.648 -2.147 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.375 -5.254 -2.911 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.781 -4.168 -3.024 1.00 10.54 H new ATOM 287 N GLU A 18 9.284 -2.763 -6.217 1.00 7.29 N ATOM 288 CA GLU A 18 10.614 -2.195 -6.327 1.00 7.08 C ATOM 289 C GLU A 18 10.577 -1.036 -5.299 1.00 6.45 C ATOM 290 O GLU A 18 9.555 -0.359 -5.188 1.00 5.28 O ATOM 291 CB GLU A 18 10.922 -1.781 -7.772 1.00 10.28 C ATOM 292 CG GLU A 18 11.119 -2.971 -8.808 1.00 12.65 C ATOM 293 CD GLU A 18 12.428 -3.734 -8.618 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.424 -3.341 -7.986 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.369 -4.873 -9.197 1.00 14.33 O ATOM 0 H GLU A 18 8.551 -2.123 -6.521 1.00 7.29 H new ATOM 0 HA GLU A 18 11.429 -2.884 -6.104 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.111 -1.145 -8.128 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.827 -1.173 -7.770 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.285 -3.667 -8.713 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.085 -2.570 -9.821 1.00 12.65 H new ATOM 302 N PRO A 19 11.713 -0.750 -4.651 1.00 7.24 N ATOM 303 CA PRO A 19 12.039 0.528 -4.001 1.00 7.07 C ATOM 304 C PRO A 19 11.436 1.734 -4.717 1.00 6.65 C ATOM 305 O PRO A 19 11.032 2.722 -4.072 1.00 6.37 O ATOM 306 CB PRO A 19 13.566 0.527 -3.834 1.00 7.61 C ATOM 307 CG PRO A 19 13.845 -0.960 -3.664 1.00 8.16 C ATOM 308 CD PRO A 19 12.946 -1.628 -4.711 1.00 7.49 C ATOM 0 HA PRO A 19 11.577 0.626 -3.019 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.075 0.944 -4.703 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.885 1.107 -2.968 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.896 -1.191 -3.835 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.604 -1.299 -2.656 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.401 -1.630 -5.702 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.724 -2.665 -4.460 1.00 7.49 H new ATOM 316 N SER A 20 11.545 1.798 -6.077 1.00 6.80 N ATOM 317 CA SER A 20 11.109 2.950 -6.811 1.00 6.28 C ATOM 318 C SER A 20 9.654 2.901 -7.406 1.00 8.45 C ATOM 319 O SER A 20 9.242 3.756 -8.183 1.00 7.26 O ATOM 320 CB SER A 20 12.043 3.199 -8.016 1.00 8.57 C ATOM 321 OG SER A 20 13.302 3.528 -7.447 1.00 11.13 O ATOM 0 H SER A 20 11.934 1.052 -6.654 1.00 6.80 H new ATOM 0 HA SER A 20 11.128 3.736 -6.056 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.115 2.314 -8.648 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.670 4.009 -8.643 1.00 8.57 H new ATOM 0 HG SER A 20 13.950 3.699 -8.162 1.00 11.13 H new ATOM 327 N ASP A 21 8.872 1.802 -7.122 1.00 7.50 N ATOM 328 CA ASP A 21 7.403 1.999 -7.304 1.00 7.70 C ATOM 329 C ASP A 21 6.805 3.082 -6.497 1.00 7.08 C ATOM 330 O ASP A 21 7.163 3.332 -5.345 1.00 8.11 O ATOM 331 CB ASP A 21 6.662 0.703 -6.971 1.00 11.00 C ATOM 332 CG ASP A 21 6.877 -0.384 -7.998 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.477 -0.132 -9.175 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.395 -1.467 -7.665 1.00 18.03 O ATOM 0 H ASP A 21 9.188 0.885 -6.806 1.00 7.50 H new ATOM 0 HA ASP A 21 7.292 2.289 -8.349 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.991 0.344 -5.996 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.595 0.912 -6.890 1.00 11.00 H new ATOM 339 N THR A 22 5.822 3.824 -7.089 1.00 5.37 N ATOM 340 CA THR A 22 5.042 4.843 -6.359 1.00 6.01 C ATOM 341 C THR A 22 3.877 4.179 -5.588 1.00 8.01 C ATOM 342 O THR A 22 3.475 3.025 -5.822 1.00 8.11 O ATOM 343 CB THR A 22 4.548 5.975 -7.146 1.00 8.92 C ATOM 344 OG1 THR A 22 3.690 5.477 -8.162 1.00 10.22 O ATOM 345 CG2 THR A 22 5.625 6.832 -7.782 1.00 9.65 C ATOM 0 H THR A 22 5.559 3.727 -8.070 1.00 5.37 H new ATOM 0 HA THR A 22 5.764 5.288 -5.674 1.00 6.01 H new ATOM 0 HB THR A 22 4.028 6.629 -6.446 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.052 4.637 -8.513 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.161 7.643 -8.343 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.265 7.249 -7.004 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.225 6.221 -8.457 1.00 9.65 H new ATOM 353 N ILE A 23 3.296 4.870 -4.597 1.00 8.32 N ATOM 354 CA ILE A 23 2.272 4.398 -3.752 1.00 9.92 C ATOM 355 C ILE A 23 0.961 4.199 -4.452 1.00 10.01 C ATOM 356 O ILE A 23 0.141 3.320 -4.159 1.00 8.71 O ATOM 357 CB ILE A 23 2.097 5.439 -2.655 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.401 5.564 -1.844 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.902 5.227 -1.741 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.921 4.232 -1.235 1.00 12.30 C ATOM 0 H ILE A 23 3.569 5.828 -4.379 1.00 8.32 H new ATOM 0 HA ILE A 23 2.562 3.419 -3.370 1.00 9.92 H new ATOM 0 HB ILE A 23 1.877 6.375 -3.169 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.175 5.979 -2.490 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.243 6.279 -1.037 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.868 6.022 -0.996 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.015 5.243 -2.331 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.994 4.263 -1.240 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.842 4.419 -0.683 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.170 3.823 -0.559 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.117 3.518 -2.035 1.00 12.30 H new ATOM 372 N GLU A 24 0.823 4.937 -5.592 1.00 9.54 N ATOM 373 CA GLU A 24 -0.153 4.586 -6.608 1.00 11.81 C ATOM 374 C GLU A 24 0.032 3.188 -7.243 1.00 11.14 C ATOM 375 O GLU A 24 -0.962 2.477 -7.470 1.00 10.62 O ATOM 376 CB GLU A 24 -0.055 5.692 -7.714 1.00 19.24 C ATOM 377 CG GLU A 24 -1.109 5.595 -8.768 1.00 27.76 C ATOM 378 CD GLU A 24 -1.401 6.991 -9.279 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.991 7.797 -8.490 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.231 7.306 -10.502 1.00 34.80 O ATOM 0 H GLU A 24 1.379 5.765 -5.807 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.132 4.536 -6.131 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.119 6.671 -7.240 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.925 5.631 -8.188 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.773 4.955 -9.584 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.013 5.143 -8.360 1.00 27.76 H new ATOM 387 N ASN A 25 1.258 2.762 -7.610 1.00 9.43 N ATOM 388 CA ASN A 25 1.572 1.399 -8.127 1.00 10.96 C ATOM 389 C ASN A 25 1.314 0.319 -7.129 1.00 9.68 C ATOM 390 O ASN A 25 0.833 -0.776 -7.464 1.00 9.33 O ATOM 391 CB ASN A 25 3.081 1.160 -8.538 1.00 16.78 C ATOM 392 CG ASN A 25 3.490 2.232 -9.533 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.567 2.821 -9.469 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.615 2.511 -10.517 1.00 24.70 N ATOM 0 H ASN A 25 2.080 3.363 -7.557 1.00 9.43 H new ATOM 0 HA ASN A 25 0.916 1.353 -8.996 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.723 1.197 -7.658 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.200 0.170 -8.978 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.843 3.216 -11.218 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.724 2.017 -10.562 1.00 24.70 H new ATOM 401 N VAL A 26 1.565 0.581 -5.807 1.00 6.52 N ATOM 402 CA VAL A 26 1.120 -0.252 -4.672 1.00 5.53 C ATOM 403 C VAL A 26 -0.328 -0.540 -4.673 1.00 4.42 C ATOM 404 O VAL A 26 -0.825 -1.608 -4.407 1.00 3.40 O ATOM 405 CB VAL A 26 1.674 0.232 -3.315 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.404 -0.873 -2.250 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.127 0.598 -3.374 1.00 8.12 C ATOM 0 H VAL A 26 2.096 1.399 -5.509 1.00 6.52 H new ATOM 0 HA VAL A 26 1.578 -1.228 -4.829 1.00 5.53 H new ATOM 0 HB VAL A 26 1.158 1.151 -3.038 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.789 -0.548 -1.283 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.331 -1.049 -2.173 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.903 -1.795 -2.548 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.459 0.931 -2.390 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.709 -0.272 -3.678 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.271 1.402 -4.096 1.00 8.12 H new ATOM 417 N LYS A 27 -1.214 0.465 -4.997 1.00 2.64 N ATOM 418 CA LYS A 27 -2.683 0.385 -5.025 1.00 4.14 C ATOM 419 C LYS A 27 -3.133 -0.513 -6.125 1.00 5.58 C ATOM 420 O LYS A 27 -4.052 -1.303 -5.876 1.00 4.11 O ATOM 421 CB LYS A 27 -3.291 1.786 -5.187 1.00 3.97 C ATOM 422 CG LYS A 27 -3.095 2.506 -3.820 1.00 7.45 C ATOM 423 CD LYS A 27 -3.530 3.976 -3.904 1.00 9.02 C ATOM 424 CE LYS A 27 -3.426 4.686 -2.532 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.021 6.038 -2.697 1.00 15.47 N ATOM 0 H LYS A 27 -0.882 1.394 -5.256 1.00 2.64 H new ATOM 0 HA LYS A 27 -3.028 -0.032 -4.079 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.798 2.334 -5.990 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.348 1.724 -5.446 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.673 1.995 -3.050 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -2.048 2.449 -3.522 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.908 4.498 -4.631 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.557 4.031 -4.265 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.956 4.122 -1.765 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.386 4.758 -2.213 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.142 6.480 -1.764 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.391 6.626 -3.279 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.947 5.955 -3.164 1.00 15.47 H new ATOM 439 N ALA A 28 -2.404 -0.493 -7.282 1.00 6.61 N ATOM 440 CA ALA A 28 -2.627 -1.373 -8.444 1.00 7.74 C ATOM 441 C ALA A 28 -2.196 -2.867 -8.218 1.00 9.17 C ATOM 442 O ALA A 28 -2.819 -3.813 -8.708 1.00 11.45 O ATOM 443 CB ALA A 28 -1.932 -0.885 -9.739 1.00 7.68 C ATOM 0 H ALA A 28 -1.630 0.156 -7.423 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.709 -1.325 -8.562 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.142 -1.583 -10.550 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.309 0.103 -10.004 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.856 -0.831 -9.576 1.00 7.68 H new ATOM 449 N LYS A 29 -1.137 -3.102 -7.468 1.00 8.96 N ATOM 450 CA LYS A 29 -0.684 -4.406 -7.021 1.00 7.90 C ATOM 451 C LYS A 29 -1.671 -5.099 -6.072 1.00 6.92 C ATOM 452 O LYS A 29 -1.940 -6.283 -6.157 1.00 6.87 O ATOM 453 CB LYS A 29 0.687 -4.409 -6.443 1.00 10.28 C ATOM 454 CG LYS A 29 1.780 -4.144 -7.505 1.00 14.94 C ATOM 455 CD LYS A 29 3.036 -3.635 -6.831 1.00 19.69 C ATOM 456 CE LYS A 29 4.058 -2.977 -7.714 1.00 22.63 C ATOM 457 NZ LYS A 29 4.613 -3.904 -8.653 1.00 24.98 N ATOM 0 H LYS A 29 -0.536 -2.347 -7.136 1.00 8.96 H new ATOM 0 HA LYS A 29 -0.639 -4.991 -7.940 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.751 -3.649 -5.664 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.874 -5.371 -5.966 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.997 -5.060 -8.054 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.425 -3.414 -8.232 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.743 -2.922 -6.060 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.514 -4.474 -6.325 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.598 -2.147 -8.249 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.855 -2.558 -7.100 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 5.428 -3.469 -9.130 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.922 -4.762 -8.153 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.893 -4.156 -9.360 1.00 24.98 H new ATOM 471 N ILE A 30 -2.259 -4.285 -5.133 1.00 4.57 N ATOM 472 CA ILE A 30 -3.412 -4.665 -4.350 1.00 5.58 C ATOM 473 C ILE A 30 -4.681 -4.869 -5.103 1.00 7.26 C ATOM 474 O ILE A 30 -5.407 -5.804 -4.763 1.00 9.46 O ATOM 475 CB ILE A 30 -3.629 -3.604 -3.240 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.440 -3.622 -2.247 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.957 -3.782 -2.453 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.544 -2.704 -1.049 1.00 2.00 C ATOM 0 H ILE A 30 -1.918 -3.347 -4.923 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.177 -5.650 -3.947 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.692 -2.644 -3.752 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.314 -4.642 -1.884 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.534 -3.365 -2.796 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.038 -3.003 -1.694 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.800 -3.708 -3.140 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.966 -4.760 -1.972 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.652 -2.809 -0.432 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.631 -1.672 -1.388 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.424 -2.969 -0.463 1.00 2.00 H new ATOM 490 N GLN A 31 -4.951 -4.005 -6.111 1.00 7.06 N ATOM 491 CA GLN A 31 -6.138 -4.293 -6.939 1.00 8.67 C ATOM 492 C GLN A 31 -6.161 -5.564 -7.780 1.00 10.90 C ATOM 493 O GLN A 31 -7.159 -6.250 -7.951 1.00 9.63 O ATOM 494 CB GLN A 31 -6.252 -3.213 -7.889 1.00 9.12 C ATOM 495 CG GLN A 31 -7.640 -3.119 -8.592 1.00 10.76 C ATOM 496 CD GLN A 31 -7.618 -1.972 -9.575 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.642 -1.249 -9.817 1.00 14.48 O ATOM 498 NE2 GLN A 31 -8.745 -1.890 -10.328 1.00 14.76 N ATOM 0 H GLN A 31 -4.414 -3.173 -6.355 1.00 7.06 H new ATOM 0 HA GLN A 31 -6.937 -4.417 -6.208 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.053 -2.272 -7.377 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.480 -3.331 -8.650 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.864 -4.053 -9.108 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.427 -2.966 -7.853 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.543 -2.491 -10.119 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -8.794 -1.228 -11.102 1.00 14.76 H new ATOM 507 N ASP A 32 -5.002 -5.942 -8.189 1.00 10.93 N ATOM 508 CA ASP A 32 -4.676 -7.295 -8.745 1.00 14.01 C ATOM 509 C ASP A 32 -5.095 -8.371 -7.818 1.00 14.04 C ATOM 510 O ASP A 32 -5.593 -9.462 -8.229 1.00 13.39 O ATOM 511 CB ASP A 32 -3.167 -7.502 -8.949 1.00 18.01 C ATOM 512 CG ASP A 32 -2.638 -8.564 -9.885 1.00 24.33 C ATOM 513 OD1 ASP A 32 -2.831 -8.413 -11.123 1.00 26.29 O ATOM 514 OD2 ASP A 32 -1.925 -9.526 -9.480 1.00 25.17 O ATOM 0 H ASP A 32 -4.191 -5.323 -8.163 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.206 -7.341 -9.696 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -2.759 -6.549 -9.287 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.738 -7.702 -7.967 1.00 18.01 H new ATOM 519 N LYS A 33 -4.937 -8.125 -6.483 1.00 14.22 N ATOM 520 CA LYS A 33 -5.190 -9.182 -5.503 1.00 14.00 C ATOM 521 C LYS A 33 -6.671 -9.146 -5.041 1.00 12.37 C ATOM 522 O LYS A 33 -7.405 -10.086 -5.186 1.00 12.17 O ATOM 523 CB LYS A 33 -4.336 -8.952 -4.208 1.00 18.62 C ATOM 524 CG LYS A 33 -2.858 -9.146 -4.426 1.00 24.00 C ATOM 525 CD LYS A 33 -2.519 -10.692 -4.428 1.00 27.61 C ATOM 526 CE LYS A 33 -1.034 -10.913 -4.697 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.855 -12.421 -4.681 1.00 30.06 N ATOM 0 H LYS A 33 -4.645 -7.231 -6.088 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.939 -10.127 -5.984 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.512 -7.941 -3.840 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.675 -9.638 -3.431 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.558 -8.697 -5.373 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.295 -8.641 -3.641 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.790 -11.131 -3.468 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.112 -11.199 -5.189 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.739 -10.490 -5.657 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.419 -10.434 -3.935 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.143 -12.654 -4.859 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.137 -12.794 -3.752 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.448 -12.849 -5.421 1.00 30.06 H new ATOM 541 N GLU A 34 -7.061 -8.024 -4.435 1.00 10.11 N ATOM 542 CA GLU A 34 -8.311 -7.947 -3.645 1.00 10.07 C ATOM 543 C GLU A 34 -9.359 -7.167 -4.355 1.00 9.32 C ATOM 544 O GLU A 34 -10.377 -6.797 -3.754 1.00 11.61 O ATOM 545 CB GLU A 34 -7.994 -7.182 -2.396 1.00 14.77 C ATOM 546 CG GLU A 34 -6.949 -7.825 -1.470 1.00 18.75 C ATOM 547 CD GLU A 34 -7.447 -8.969 -0.638 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.868 -10.000 -1.235 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.435 -8.866 0.598 1.00 25.19 O ATOM 0 H GLU A 34 -6.536 -7.150 -4.470 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.672 -8.959 -3.462 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.641 -6.190 -2.679 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.917 -7.044 -1.832 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.115 -8.176 -2.078 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.556 -7.057 -0.804 1.00 18.75 H new ATOM 556 N GLY A 35 -9.169 -6.807 -5.645 1.00 7.22 N ATOM 557 CA GLY A 35 -10.157 -6.031 -6.436 1.00 6.29 C ATOM 558 C GLY A 35 -10.437 -4.563 -6.160 1.00 6.93 C ATOM 559 O GLY A 35 -11.259 -3.970 -6.844 1.00 7.41 O ATOM 0 H GLY A 35 -8.327 -7.045 -6.169 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.849 -6.101 -7.479 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.109 -6.554 -6.349 1.00 6.29 H new ATOM 563 N ILE A 36 -9.621 -3.933 -5.255 1.00 5.86 N ATOM 564 CA ILE A 36 -9.949 -2.631 -4.638 1.00 6.07 C ATOM 565 C ILE A 36 -9.430 -1.428 -5.556 1.00 6.36 C ATOM 566 O ILE A 36 -8.238 -1.365 -5.774 1.00 6.18 O ATOM 567 CB ILE A 36 -9.387 -2.537 -3.210 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.637 -3.833 -2.401 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.009 -1.248 -2.646 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.286 -3.788 -0.894 1.00 9.49 C ATOM 0 H ILE A 36 -8.730 -4.320 -4.944 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.033 -2.550 -4.564 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.300 -2.467 -3.164 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.690 -4.097 -2.498 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.063 -4.638 -2.861 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.664 -1.095 -1.623 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.709 -0.400 -3.261 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.096 -1.335 -2.654 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.506 -4.754 -0.440 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.226 -3.563 -0.774 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.879 -3.015 -0.405 1.00 9.49 H new ATOM 582 N PRO A 37 -10.127 -0.537 -6.150 1.00 8.65 N ATOM 583 CA PRO A 37 -9.755 0.697 -6.847 1.00 9.18 C ATOM 584 C PRO A 37 -8.772 1.455 -6.078 1.00 9.85 C ATOM 585 O PRO A 37 -8.997 1.601 -4.895 1.00 8.51 O ATOM 586 CB PRO A 37 -11.049 1.472 -7.032 1.00 11.42 C ATOM 587 CG PRO A 37 -12.130 0.389 -7.171 1.00 9.27 C ATOM 588 CD PRO A 37 -11.589 -0.644 -6.104 1.00 8.33 C ATOM 0 HA PRO A 37 -9.283 0.493 -7.808 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.247 2.123 -6.181 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.008 2.108 -7.917 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.127 0.757 -6.931 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.178 -0.031 -8.176 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -11.967 -0.412 -5.108 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -11.915 -1.657 -6.340 1.00 8.33 H new ATOM 596 N PRO A 38 -7.689 1.967 -6.663 1.00 8.71 N ATOM 597 CA PRO A 38 -6.789 2.905 -5.938 1.00 9.08 C ATOM 598 C PRO A 38 -7.362 3.961 -5.120 1.00 9.28 C ATOM 599 O PRO A 38 -6.945 4.102 -3.971 1.00 6.50 O ATOM 600 CB PRO A 38 -5.992 3.491 -7.080 1.00 10.31 C ATOM 601 CG PRO A 38 -5.743 2.290 -7.982 1.00 10.81 C ATOM 602 CD PRO A 38 -7.117 1.507 -7.966 1.00 12.00 C ATOM 0 HA PRO A 38 -6.253 2.355 -5.165 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.545 4.275 -7.597 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.059 3.935 -6.734 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.471 2.599 -8.991 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -4.927 1.672 -7.607 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.752 1.770 -8.812 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.977 0.426 -7.997 1.00 12.00 H new ATOM 610 N ASP A 39 -8.363 4.740 -5.637 1.00 11.20 N ATOM 611 CA ASP A 39 -8.959 5.843 -4.942 1.00 14.96 C ATOM 612 C ASP A 39 -9.822 5.423 -3.736 1.00 13.99 C ATOM 613 O ASP A 39 -10.152 6.259 -2.887 1.00 13.75 O ATOM 614 CB ASP A 39 -9.607 6.791 -5.972 1.00 24.16 C ATOM 615 CG ASP A 39 -8.515 7.334 -6.907 1.00 31.06 C ATOM 616 OD1 ASP A 39 -7.617 8.063 -6.446 1.00 34.22 O ATOM 617 OD2 ASP A 39 -8.585 7.039 -8.126 1.00 35.55 O ATOM 0 H ASP A 39 -8.758 4.587 -6.565 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.189 6.426 -4.437 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.366 6.260 -6.547 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.110 7.613 -5.463 1.00 24.16 H new ATOM 622 N GLN A 40 -10.186 4.126 -3.530 1.00 11.60 N ATOM 623 CA GLN A 40 -10.931 3.560 -2.381 1.00 10.76 C ATOM 624 C GLN A 40 -9.951 2.994 -1.424 1.00 8.01 C ATOM 625 O GLN A 40 -10.340 2.298 -0.455 1.00 8.96 O ATOM 626 CB GLN A 40 -11.857 2.395 -2.870 1.00 11.14 C ATOM 627 CG GLN A 40 -13.238 2.737 -3.508 1.00 14.85 C ATOM 628 CD GLN A 40 -14.056 1.486 -3.889 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.797 0.369 -3.487 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.921 1.757 -4.911 1.00 18.16 N ATOM 0 H GLN A 40 -9.948 3.405 -4.211 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.533 4.341 -1.917 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.294 1.813 -3.599 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.043 1.743 -2.016 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.815 3.342 -2.808 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.079 3.345 -4.399 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.089 2.722 -5.194 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.399 0.994 -5.391 1.00 18.16 H new ATOM 639 N GLN A 41 -8.614 3.162 -1.609 1.00 6.52 N ATOM 640 CA GLN A 41 -7.581 2.617 -0.724 1.00 3.87 C ATOM 641 C GLN A 41 -6.762 3.677 -0.120 1.00 4.79 C ATOM 642 O GLN A 41 -6.100 4.521 -0.745 1.00 6.34 O ATOM 643 CB GLN A 41 -6.456 1.839 -1.450 1.00 4.20 C ATOM 644 CG GLN A 41 -6.963 0.588 -2.177 1.00 3.20 C ATOM 645 CD GLN A 41 -5.900 -0.168 -2.840 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.874 -0.482 -2.235 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.091 -0.533 -4.095 1.00 7.13 N ATOM 0 H GLN A 41 -8.231 3.690 -2.393 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.177 2.009 -0.043 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.972 2.499 -2.170 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.697 1.548 -0.724 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.468 -0.060 -1.461 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.706 0.883 -2.918 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.947 -0.264 -4.580 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.382 -1.084 -4.579 1.00 7.13 H new ATOM 656 N ARG A 42 -6.578 3.612 1.196 1.00 5.73 N ATOM 657 CA ARG A 42 -5.639 4.345 1.974 1.00 6.97 C ATOM 658 C ARG A 42 -4.524 3.398 2.430 1.00 7.15 C ATOM 659 O ARG A 42 -4.837 2.309 2.894 1.00 7.33 O ATOM 660 CB ARG A 42 -6.257 4.995 3.185 1.00 13.23 C ATOM 661 CG ARG A 42 -6.680 6.416 2.811 1.00 21.27 C ATOM 662 CD ARG A 42 -7.173 7.248 4.001 1.00 26.14 C ATOM 663 NE ARG A 42 -7.206 8.636 3.545 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.183 9.548 3.709 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.379 9.175 4.043 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.043 10.834 3.354 1.00 36.39 N ATOM 0 H ARG A 42 -7.139 2.987 1.774 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.249 5.144 1.343 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -7.119 4.420 3.525 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.543 5.017 4.009 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.836 6.926 2.348 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.471 6.365 2.063 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.162 6.920 4.321 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.507 7.135 4.857 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.382 8.956 3.036 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.584 8.186 4.183 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.115 9.871 4.166 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.168 11.157 2.941 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.811 11.489 3.497 1.00 36.39 H new ATOM 680 N LEU A 43 -3.257 3.761 2.344 1.00 4.65 N ATOM 681 CA LEU A 43 -2.126 2.830 2.751 1.00 3.51 C ATOM 682 C LEU A 43 -1.217 3.559 3.746 1.00 5.56 C ATOM 683 O LEU A 43 -0.818 4.728 3.589 1.00 4.19 O ATOM 684 CB LEU A 43 -1.216 2.483 1.588 1.00 3.74 C ATOM 685 CG LEU A 43 -1.933 2.022 0.309 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.965 1.777 -0.828 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.860 0.788 0.489 1.00 6.41 C ATOM 0 H LEU A 43 -2.949 4.673 2.006 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.595 1.932 3.153 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.609 3.356 1.350 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.532 1.696 1.905 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.584 2.860 0.058 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.516 1.453 -1.711 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.428 2.698 -1.053 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -0.254 1.003 -0.540 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -3.321 0.537 -0.466 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.273 -0.060 0.842 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.637 1.020 1.218 1.00 6.41 H new ATOM 699 N ILE A 44 -0.806 2.829 4.786 1.00 4.58 N ATOM 700 CA ILE A 44 0.015 3.205 5.971 1.00 5.55 C ATOM 701 C ILE A 44 1.329 2.341 6.210 1.00 5.46 C ATOM 702 O ILE A 44 1.340 1.123 6.007 1.00 6.04 O ATOM 703 CB ILE A 44 -0.857 3.339 7.223 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.111 4.153 7.078 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.014 3.773 8.494 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.292 3.376 6.454 1.00 13.90 C ATOM 0 H ILE A 44 -1.064 1.843 4.836 1.00 4.58 H new ATOM 0 HA ILE A 44 0.423 4.187 5.732 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.227 2.326 7.379 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.409 4.521 8.060 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.897 5.026 6.462 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.674 3.855 9.358 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.754 3.026 8.694 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.459 4.737 8.305 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.161 4.030 6.382 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.015 3.031 5.458 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.535 2.518 7.081 1.00 13.90 H new ATOM 718 N PHE A 45 2.403 2.997 6.649 1.00 6.75 N ATOM 719 CA PHE A 45 3.574 2.234 7.112 1.00 4.70 C ATOM 720 C PHE A 45 4.112 2.822 8.461 1.00 6.34 C ATOM 721 O PHE A 45 4.547 3.957 8.619 1.00 5.45 O ATOM 722 CB PHE A 45 4.668 2.260 6.020 1.00 5.51 C ATOM 723 CG PHE A 45 5.786 1.300 6.221 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.592 -0.081 6.470 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.075 1.838 6.209 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.668 -0.976 6.886 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.142 0.974 6.619 1.00 6.64 C ATOM 728 CZ PHE A 45 7.910 -0.384 6.964 1.00 6.84 C ATOM 0 H PHE A 45 2.493 4.012 6.696 1.00 6.75 H new ATOM 0 HA PHE A 45 3.283 1.199 7.294 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.202 2.054 5.056 1.00 5.51 H new ATOM 0 HB3 PHE A 45 5.081 3.267 5.965 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.601 -0.491 6.346 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.259 2.858 5.905 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.504 -2.019 7.114 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.148 1.365 6.667 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.745 -0.980 7.303 1.00 6.84 H new ATOM 738 N ALA A 46 4.081 2.023 9.553 1.00 6.53 N ATOM 739 CA ALA A 46 4.439 2.391 10.909 1.00 7.15 C ATOM 740 C ALA A 46 4.055 3.811 11.386 1.00 9.00 C ATOM 741 O ALA A 46 4.824 4.749 11.678 1.00 11.15 O ATOM 742 CB ALA A 46 5.965 2.041 11.238 1.00 8.99 C ATOM 0 H ALA A 46 3.785 1.049 9.488 1.00 6.53 H new ATOM 0 HA ALA A 46 3.786 1.757 11.508 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.192 2.333 12.263 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.126 0.969 11.121 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.618 2.582 10.554 1.00 8.99 H new ATOM 748 N GLY A 47 2.714 4.024 11.469 1.00 9.35 N ATOM 749 CA GLY A 47 2.213 5.287 11.999 1.00 11.68 C ATOM 750 C GLY A 47 2.153 6.452 10.966 1.00 11.14 C ATOM 751 O GLY A 47 1.776 7.518 11.378 1.00 13.93 O ATOM 0 H GLY A 47 1.998 3.356 11.184 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.213 5.125 12.401 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.846 5.592 12.832 1.00 11.68 H new ATOM 755 N LYS A 48 2.592 6.255 9.660 1.00 10.47 N ATOM 756 CA LYS A 48 2.743 7.218 8.674 1.00 8.82 C ATOM 757 C LYS A 48 1.869 6.930 7.479 1.00 7.68 C ATOM 758 O LYS A 48 2.038 5.917 6.809 1.00 6.47 O ATOM 759 CB LYS A 48 4.166 7.501 8.192 1.00 9.74 C ATOM 760 CG LYS A 48 4.294 8.607 7.118 1.00 14.14 C ATOM 761 CD LYS A 48 4.152 10.025 7.754 1.00 16.32 C ATOM 762 CE LYS A 48 4.455 11.019 6.625 1.00 20.04 C ATOM 763 NZ LYS A 48 4.316 12.412 7.212 1.00 23.92 N ATOM 0 H LYS A 48 2.847 5.326 9.324 1.00 10.47 H new ATOM 0 HA LYS A 48 2.429 8.126 9.188 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.774 7.781 9.052 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.586 6.578 7.791 1.00 9.74 H new ATOM 0 HG2 LYS A 48 5.259 8.524 6.619 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.528 8.468 6.355 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.148 10.177 8.151 1.00 16.32 H new ATOM 0 HD3 LYS A 48 4.846 10.153 8.585 1.00 16.32 H new ATOM 0 HE2 LYS A 48 5.460 10.864 6.234 1.00 20.04 H new ATOM 0 HE3 LYS A 48 3.764 10.880 5.793 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 4.514 13.120 6.476 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 3.348 12.544 7.568 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 4.991 12.528 7.995 1.00 23.92 H new ATOM 777 N GLN A 49 0.921 7.779 7.133 1.00 8.89 N ATOM 778 CA GLN A 49 0.185 7.688 5.857 1.00 7.18 C ATOM 779 C GLN A 49 1.024 7.892 4.557 1.00 8.23 C ATOM 780 O GLN A 49 1.818 8.850 4.524 1.00 9.70 O ATOM 781 CB GLN A 49 -1.040 8.592 5.822 1.00 11.67 C ATOM 782 CG GLN A 49 -2.140 8.138 6.857 1.00 15.82 C ATOM 783 CD GLN A 49 -3.477 8.932 6.727 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.854 9.570 7.712 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.133 8.870 5.560 1.00 20.67 N ATOM 0 H GLN A 49 0.628 8.559 7.721 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.123 6.643 5.846 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.740 9.617 6.038 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.464 8.589 4.818 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.342 7.076 6.719 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.750 8.260 7.868 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.754 8.318 4.790 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.011 9.375 5.441 1.00 20.67 H new ATOM 794 N LEU A 50 0.836 7.126 3.507 1.00 6.51 N ATOM 795 CA LEU A 50 1.716 7.210 2.350 1.00 7.41 C ATOM 796 C LEU A 50 0.956 7.906 1.226 1.00 8.27 C ATOM 797 O LEU A 50 -0.182 7.529 0.899 1.00 8.34 O ATOM 798 CB LEU A 50 2.203 5.812 1.898 1.00 7.13 C ATOM 799 CG LEU A 50 2.721 4.882 2.976 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.139 3.522 2.345 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.819 5.490 3.795 1.00 9.11 C ATOM 0 H LEU A 50 0.087 6.439 3.424 1.00 6.51 H new ATOM 0 HA LEU A 50 2.607 7.780 2.615 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.378 5.314 1.389 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.994 5.951 1.161 1.00 7.13 H new ATOM 0 HG LEU A 50 1.908 4.702 3.679 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.511 2.858 3.125 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.276 3.065 1.860 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.923 3.689 1.607 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.148 4.776 4.550 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.658 5.745 3.147 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.451 6.392 4.285 1.00 9.11 H new ATOM 813 N GLU A 51 1.473 9.002 0.589 1.00 9.43 N ATOM 814 CA GLU A 51 0.825 9.652 -0.587 1.00 11.90 C ATOM 815 C GLU A 51 1.195 9.076 -1.906 1.00 11.49 C ATOM 816 O GLU A 51 2.330 8.544 -2.035 1.00 9.88 O ATOM 817 CB GLU A 51 1.134 11.203 -0.542 1.00 16.56 C ATOM 818 CG GLU A 51 0.575 11.965 0.720 1.00 26.06 C ATOM 819 CD GLU A 51 -0.884 11.605 0.972 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.751 11.794 0.079 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.232 11.251 2.171 1.00 32.13 O ATOM 0 H GLU A 51 2.342 9.453 0.876 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.245 9.461 -0.501 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.214 11.343 -0.581 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.720 11.665 -1.438 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.172 11.712 1.596 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.667 13.041 0.570 1.00 26.06 H new ATOM 828 N ASP A 52 0.335 9.270 -2.955 1.00 12.71 N ATOM 829 CA ASP A 52 0.253 8.782 -4.280 1.00 16.56 C ATOM 830 C ASP A 52 1.385 8.997 -5.185 1.00 15.83 C ATOM 831 O ASP A 52 1.905 8.069 -5.787 1.00 17.21 O ATOM 832 CB ASP A 52 -1.086 9.107 -4.920 1.00 21.05 C ATOM 833 CG ASP A 52 -2.224 8.656 -4.096 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.575 9.358 -3.163 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.681 7.488 -4.316 1.00 25.82 O ATOM 0 H ASP A 52 -0.448 9.905 -2.802 1.00 12.71 H new ATOM 0 HA ASP A 52 0.330 7.706 -4.124 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.159 10.183 -5.079 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.141 8.636 -5.901 1.00 21.05 H new ATOM 840 N GLY A 53 1.841 10.246 -5.249 1.00 15.00 N ATOM 841 CA GLY A 53 3.024 10.586 -6.089 1.00 11.77 C ATOM 842 C GLY A 53 4.433 10.277 -5.500 1.00 11.10 C ATOM 843 O GLY A 53 5.460 10.635 -6.117 1.00 11.25 O ATOM 0 H GLY A 53 1.432 11.034 -4.748 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.930 10.053 -7.035 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.980 11.651 -6.317 1.00 11.77 H new ATOM 847 N ARG A 54 4.487 9.566 -4.318 1.00 8.53 N ATOM 848 CA ARG A 54 5.721 9.271 -3.672 1.00 9.05 C ATOM 849 C ARG A 54 6.132 7.797 -3.821 1.00 8.96 C ATOM 850 O ARG A 54 5.209 7.006 -4.170 1.00 11.60 O ATOM 851 CB ARG A 54 5.554 9.450 -2.170 1.00 7.97 C ATOM 852 CG ARG A 54 5.020 10.779 -1.731 1.00 9.62 C ATOM 853 CD ARG A 54 5.816 11.932 -2.251 1.00 12.20 C ATOM 854 NE ARG A 54 5.163 13.141 -1.738 1.00 18.23 N ATOM 855 CZ ARG A 54 5.048 14.271 -2.411 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.683 14.412 -3.601 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.515 15.356 -1.844 1.00 23.38 N ATOM 0 H ARG A 54 3.664 9.209 -3.833 1.00 8.53 H new ATOM 0 HA ARG A 54 6.460 9.931 -4.126 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.887 8.671 -1.802 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.522 9.292 -1.694 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.988 10.878 -2.066 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.006 10.816 -0.642 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.851 11.875 -1.914 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.836 11.932 -3.341 1.00 12.20 H new ATOM 0 HE ARG A 54 4.771 13.106 -0.797 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.246 13.647 -3.972 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.597 15.283 -4.125 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.190 15.319 -0.878 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.433 16.222 -2.377 1.00 23.38 H new ATOM 871 N THR A 55 7.390 7.401 -3.725 1.00 9.05 N ATOM 872 CA THR A 55 7.918 5.983 -3.893 1.00 9.03 C ATOM 873 C THR A 55 8.211 5.351 -2.494 1.00 8.15 C ATOM 874 O THR A 55 8.316 6.045 -1.487 1.00 5.91 O ATOM 875 CB THR A 55 9.200 5.811 -4.677 1.00 11.15 C ATOM 876 OG1 THR A 55 10.295 6.500 -4.100 1.00 11.95 O ATOM 877 CG2 THR A 55 9.110 6.312 -6.127 1.00 11.71 C ATOM 0 H THR A 55 8.138 8.063 -3.519 1.00 9.05 H new ATOM 0 HA THR A 55 7.119 5.503 -4.458 1.00 9.03 H new ATOM 0 HB THR A 55 9.355 4.732 -4.656 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.097 6.354 -4.644 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.066 6.156 -6.626 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.331 5.761 -6.655 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.868 7.375 -6.130 1.00 11.71 H new ATOM 885 N LEU A 56 8.370 4.022 -2.479 1.00 6.91 N ATOM 886 CA LEU A 56 8.849 3.192 -1.370 1.00 8.29 C ATOM 887 C LEU A 56 10.200 3.639 -0.776 1.00 8.05 C ATOM 888 O LEU A 56 10.294 3.738 0.456 1.00 10.17 O ATOM 889 CB LEU A 56 9.001 1.676 -1.795 1.00 6.60 C ATOM 890 CG LEU A 56 7.711 0.814 -1.795 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.914 1.046 -3.088 1.00 9.85 C ATOM 892 CD2 LEU A 56 7.932 -0.660 -1.580 1.00 8.64 C ATOM 0 H LEU A 56 8.151 3.459 -3.301 1.00 6.91 H new ATOM 0 HA LEU A 56 8.080 3.314 -0.607 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.429 1.646 -2.797 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.722 1.207 -1.126 1.00 6.60 H new ATOM 0 HG LEU A 56 7.142 1.151 -0.929 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.012 0.435 -3.074 1.00 9.85 H new ATOM 0 HD12 LEU A 56 6.638 2.098 -3.162 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.526 0.770 -3.947 1.00 9.85 H new ATOM 0 HD21 LEU A 56 6.973 -1.178 -1.596 1.00 8.64 H new ATOM 0 HD22 LEU A 56 8.569 -1.052 -2.373 1.00 8.64 H new ATOM 0 HD23 LEU A 56 8.414 -0.819 -0.615 1.00 8.64 H new ATOM 904 N SER A 57 11.101 4.114 -1.675 1.00 8.92 N ATOM 905 CA SER A 57 12.309 4.724 -1.235 1.00 9.00 C ATOM 906 C SER A 57 12.149 5.964 -0.420 1.00 9.44 C ATOM 907 O SER A 57 12.755 6.180 0.639 1.00 10.91 O ATOM 908 CB SER A 57 13.134 5.003 -2.493 1.00 10.32 C ATOM 909 OG SER A 57 14.467 5.378 -2.153 1.00 13.59 O ATOM 0 H SER A 57 10.985 4.071 -2.687 1.00 8.92 H new ATOM 0 HA SER A 57 12.800 4.036 -0.546 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.152 4.116 -3.126 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.664 5.798 -3.072 1.00 10.32 H new ATOM 0 HG SER A 57 14.977 5.550 -2.972 1.00 13.59 H new ATOM 915 N ASP A 58 11.225 6.855 -0.808 1.00 9.11 N ATOM 916 CA ASP A 58 11.016 8.108 -0.214 1.00 7.91 C ATOM 917 C ASP A 58 10.410 7.947 1.188 1.00 9.12 C ATOM 918 O ASP A 58 10.653 8.817 2.075 1.00 8.61 O ATOM 919 CB ASP A 58 10.209 9.055 -1.124 1.00 8.41 C ATOM 920 CG ASP A 58 10.615 10.450 -1.019 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.803 10.681 -1.293 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.842 11.393 -0.788 1.00 11.70 O ATOM 0 H ASP A 58 10.591 6.676 -1.587 1.00 9.11 H new ATOM 0 HA ASP A 58 11.985 8.592 -0.087 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.317 8.731 -2.159 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.151 8.973 -0.873 1.00 8.41 H new ATOM 927 N TYR A 59 9.704 6.798 1.460 1.00 7.97 N ATOM 928 CA TYR A 59 9.230 6.468 2.752 1.00 8.45 C ATOM 929 C TYR A 59 10.032 5.374 3.421 1.00 10.98 C ATOM 930 O TYR A 59 9.656 4.783 4.442 1.00 12.95 O ATOM 931 CB TYR A 59 7.765 6.011 2.615 1.00 7.94 C ATOM 932 CG TYR A 59 6.883 7.199 2.440 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.635 8.098 3.452 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.150 7.372 1.268 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.674 9.093 3.369 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.188 8.369 1.111 1.00 6.52 C ATOM 937 CZ TYR A 59 4.896 9.183 2.221 1.00 6.76 C ATOM 938 OH TYR A 59 3.896 10.211 2.063 1.00 7.63 O ATOM 0 H TYR A 59 9.473 6.104 0.749 1.00 7.97 H new ATOM 0 HA TYR A 59 9.326 7.353 3.381 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.661 5.340 1.762 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.465 5.450 3.500 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.219 8.024 4.357 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.336 6.702 0.442 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.532 9.788 4.184 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.683 8.512 0.167 1.00 6.52 H new ATOM 0 HH TYR A 59 4.190 10.851 1.382 1.00 7.63 H new ATOM 948 N ASN A 60 11.247 5.175 2.963 1.00 12.38 N ATOM 949 CA ASN A 60 12.217 4.174 3.443 1.00 13.94 C ATOM 950 C ASN A 60 11.678 2.755 3.819 1.00 14.16 C ATOM 951 O ASN A 60 11.874 2.255 4.926 1.00 14.26 O ATOM 952 CB ASN A 60 13.139 4.676 4.543 1.00 19.23 C ATOM 953 CG ASN A 60 13.966 5.831 4.004 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.585 7.013 4.047 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.154 5.460 3.452 1.00 24.09 N ATOM 0 H ASN A 60 11.623 5.734 2.198 1.00 12.38 H new ATOM 0 HA ASN A 60 12.787 4.028 2.525 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.556 5.000 5.405 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.791 3.872 4.884 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.773 6.165 3.051 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.425 4.477 3.439 1.00 24.09 H new ATOM 962 N ILE A 61 10.965 2.140 2.861 1.00 11.08 N ATOM 963 CA ILE A 61 10.143 0.889 3.002 1.00 11.78 C ATOM 964 C ILE A 61 10.918 -0.310 2.294 1.00 13.74 C ATOM 965 O ILE A 61 10.950 -0.520 1.069 1.00 14.60 O ATOM 966 CB ILE A 61 8.748 0.964 2.348 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.073 2.333 2.637 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.854 -0.226 2.827 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.638 2.468 2.105 1.00 11.42 C ATOM 0 H ILE A 61 10.933 2.508 1.910 1.00 11.08 H new ATOM 0 HA ILE A 61 10.000 0.746 4.073 1.00 11.78 H new ATOM 0 HB ILE A 61 8.868 0.880 1.268 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.063 2.497 3.715 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.684 3.123 2.200 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.874 -0.157 2.356 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.325 -1.169 2.550 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.740 -0.182 3.910 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.249 3.455 2.354 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.638 2.340 1.023 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.008 1.705 2.561 1.00 11.42 H new ATOM 981 N GLN A 62 11.582 -1.140 3.135 1.00 13.97 N ATOM 982 CA GLN A 62 12.553 -2.107 2.658 1.00 15.52 C ATOM 983 C GLN A 62 11.796 -3.403 2.256 1.00 13.94 C ATOM 984 O GLN A 62 10.579 -3.529 2.412 1.00 12.15 O ATOM 985 CB GLN A 62 13.552 -2.447 3.805 1.00 19.53 C ATOM 986 CG GLN A 62 14.312 -1.250 4.351 1.00 26.38 C ATOM 987 CD GLN A 62 15.582 -1.719 5.036 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.714 -1.722 4.514 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.465 -2.232 6.311 1.00 32.71 N ATOM 0 H GLN A 62 11.450 -1.145 4.146 1.00 13.97 H new ATOM 0 HA GLN A 62 13.098 -1.699 1.806 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.003 -2.916 4.621 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.270 -3.182 3.440 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.557 -0.562 3.541 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.688 -0.702 5.057 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.556 -2.248 6.773 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.288 -2.596 6.792 1.00 32.71 H new ATOM 998 N LYS A 63 12.515 -4.494 1.795 1.00 11.73 N ATOM 999 CA LYS A 63 11.986 -5.845 1.666 1.00 11.97 C ATOM 1000 C LYS A 63 11.359 -6.417 2.966 1.00 10.41 C ATOM 1001 O LYS A 63 11.733 -6.032 4.078 1.00 9.59 O ATOM 1002 CB LYS A 63 13.245 -6.721 1.318 1.00 13.73 C ATOM 1003 CG LYS A 63 13.063 -8.141 0.890 1.00 16.98 C ATOM 1004 CD LYS A 63 14.187 -8.843 0.129 1.00 20.19 C ATOM 1005 CE LYS A 63 15.511 -8.949 0.888 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.505 -9.539 0.006 1.00 25.97 N ATOM 0 H LYS A 63 13.491 -4.421 1.507 1.00 11.73 H new ATOM 0 HA LYS A 63 11.187 -5.847 0.925 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.789 -6.209 0.524 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.891 -6.726 2.196 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.856 -8.729 1.784 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.170 -8.183 0.267 1.00 16.98 H new ATOM 0 HD2 LYS A 63 13.855 -9.847 -0.135 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.362 -8.309 -0.805 1.00 20.19 H new ATOM 0 HE2 LYS A 63 15.837 -7.963 1.220 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.387 -9.561 1.781 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.412 -9.618 0.509 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.189 -10.485 -0.289 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.625 -8.937 -0.833 1.00 25.97 H new ATOM 1020 N GLU A 64 10.267 -7.254 2.850 1.00 10.04 N ATOM 1021 CA GLU A 64 9.597 -8.019 3.842 1.00 10.94 C ATOM 1022 C GLU A 64 8.965 -7.127 4.880 1.00 9.74 C ATOM 1023 O GLU A 64 8.514 -7.609 5.894 1.00 9.42 O ATOM 1024 CB GLU A 64 10.487 -9.176 4.530 1.00 18.31 C ATOM 1025 CG GLU A 64 11.668 -8.780 5.390 1.00 24.16 C ATOM 1026 CD GLU A 64 12.096 -9.947 6.236 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.297 -10.871 6.530 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.258 -9.807 6.722 1.00 31.72 O ATOM 0 H GLU A 64 9.827 -7.387 1.939 1.00 10.04 H new ATOM 0 HA GLU A 64 8.815 -8.554 3.303 1.00 10.94 H new ATOM 0 HB2 GLU A 64 9.821 -9.782 5.144 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.861 -9.820 3.734 1.00 18.31 H new ATOM 0 HG2 GLU A 64 12.495 -8.453 4.760 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.400 -7.937 6.026 1.00 24.16 H new ATOM 1035 N SER A 65 8.729 -5.830 4.545 1.00 6.85 N ATOM 1036 CA SER A 65 7.938 -4.920 5.294 1.00 6.90 C ATOM 1037 C SER A 65 6.499 -5.298 5.329 1.00 4.72 C ATOM 1038 O SER A 65 6.024 -5.866 4.354 1.00 3.91 O ATOM 1039 CB SER A 65 7.977 -3.517 4.764 1.00 7.28 C ATOM 1040 OG SER A 65 9.341 -3.031 4.797 1.00 10.56 O ATOM 0 H SER A 65 9.119 -5.409 3.702 1.00 6.85 H new ATOM 0 HA SER A 65 8.383 -4.966 6.288 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.594 -3.491 3.744 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.334 -2.872 5.363 1.00 7.28 H new ATOM 0 HG SER A 65 9.775 -3.216 3.938 1.00 10.56 H new ATOM 1046 N THR A 66 5.756 -5.024 6.458 1.00 4.48 N ATOM 1047 CA THR A 66 4.295 -5.235 6.594 1.00 3.80 C ATOM 1048 C THR A 66 3.637 -3.811 6.584 1.00 4.60 C ATOM 1049 O THR A 66 4.052 -2.934 7.304 1.00 5.33 O ATOM 1050 CB THR A 66 3.834 -5.956 7.873 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.440 -7.237 8.096 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.367 -6.216 7.703 1.00 3.40 C ATOM 0 H THR A 66 6.179 -4.644 7.305 1.00 4.48 H new ATOM 0 HA THR A 66 3.996 -5.887 5.773 1.00 3.80 H new ATOM 0 HB THR A 66 4.107 -5.319 8.714 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.093 -7.623 8.928 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.984 -6.729 8.585 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.842 -5.269 7.577 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.208 -6.839 6.823 1.00 3.40 H new ATOM 1060 N LEU A 67 2.627 -3.596 5.629 1.00 4.17 N ATOM 1061 CA LEU A 67 2.025 -2.298 5.479 1.00 3.85 C ATOM 1062 C LEU A 67 0.552 -2.503 5.958 1.00 3.80 C ATOM 1063 O LEU A 67 0.066 -3.645 6.115 1.00 5.54 O ATOM 1064 CB LEU A 67 2.028 -1.906 4.037 1.00 7.18 C ATOM 1065 CG LEU A 67 3.308 -1.216 3.523 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.430 -2.265 3.432 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.102 -0.529 2.120 1.00 11.66 C ATOM 0 H LEU A 67 2.264 -4.313 5.001 1.00 4.17 H new ATOM 0 HA LEU A 67 2.550 -1.522 6.036 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.857 -2.801 3.438 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.184 -1.238 3.861 1.00 7.18 H new ATOM 0 HG LEU A 67 3.572 -0.426 4.226 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.342 -1.791 3.070 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.610 -2.692 4.419 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.134 -3.056 2.743 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.033 -0.059 1.805 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.809 -1.280 1.387 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.321 0.228 2.197 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.147 -1.402 6.262 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.529 -1.368 6.744 1.00 4.17 C ATOM 1081 C HIS A 68 -2.484 -0.812 5.674 1.00 5.32 C ATOM 1082 O HIS A 68 -2.102 0.100 4.930 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.785 -0.674 8.131 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.888 -1.259 9.253 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.498 -1.160 9.252 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.197 -1.924 10.374 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.988 -1.828 10.313 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.047 -2.251 11.052 1.00 16.30 N ATOM 0 H HIS A 68 0.256 -0.469 6.174 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.745 -2.419 6.936 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.599 0.396 8.040 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.833 -0.793 8.407 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -2.199 -2.167 10.696 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.033 -1.994 10.531 1.00 14.75 H new ATOM 0 HE2 HIS A 68 0.009 -2.728 11.952 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.692 -1.353 5.562 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.563 -1.122 4.372 1.00 3.97 C ATOM 1098 C LEU A 69 -5.960 -0.729 4.849 1.00 5.07 C ATOM 1099 O LEU A 69 -6.544 -1.401 5.708 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.670 -2.437 3.573 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.703 -2.593 2.447 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.527 -1.456 1.362 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.666 -3.939 1.687 1.00 9.96 C ATOM 0 H LEU A 69 -4.107 -1.957 6.271 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.142 -0.333 3.750 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.690 -2.627 3.136 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.858 -3.234 4.292 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.657 -2.534 2.972 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.269 -1.587 0.574 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.663 -0.481 1.831 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.527 -1.515 0.932 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.436 -3.942 0.915 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.688 -4.069 1.225 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.849 -4.756 2.385 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.470 0.477 4.476 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.653 1.182 4.970 1.00 6.26 C ATOM 1117 C VAL A 70 -8.539 1.578 3.835 1.00 9.22 C ATOM 1118 O VAL A 70 -8.204 2.342 2.937 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.337 2.393 5.838 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.712 3.035 6.310 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.552 1.967 7.147 1.00 8.54 C ATOM 0 H VAL A 70 -6.006 1.021 3.749 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.171 0.473 5.617 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.730 3.087 5.256 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.512 3.906 6.934 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.290 3.339 5.437 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.279 2.301 6.882 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.340 2.851 7.748 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -7.160 1.272 7.726 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.615 1.484 6.869 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.801 1.172 3.851 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.697 1.675 2.853 1.00 16.06 C ATOM 1133 C LEU A 71 -11.093 3.143 3.005 1.00 18.09 C ATOM 1134 O LEU A 71 -11.361 3.517 4.109 1.00 19.26 O ATOM 1135 CB LEU A 71 -12.027 0.822 2.808 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.871 -0.656 2.456 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.199 -1.460 2.308 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -11.092 -0.733 1.196 1.00 19.57 C ATOM 0 H LEU A 71 -10.205 0.519 4.523 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.125 1.591 1.929 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.512 0.893 3.782 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.701 1.277 2.082 1.00 17.10 H new ATOM 0 HG LEU A 71 -11.365 -1.128 3.298 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -12.971 -2.496 2.058 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -13.751 -1.427 3.247 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.804 -1.020 1.516 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.960 -1.777 0.913 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.627 -0.207 0.405 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.116 -0.271 1.343 1.00 19.57 H new