USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 627 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 51 TYR OH : rot 180:sc= 0.438 USER MOD Set 1.2: A 70 LYS NZ :NH3+ -158:sc= 0.724 (180deg=0) USER MOD Set 1.3: A 71 ASN : amide:sc= 1.12 K(o=2.3,f=-2.5) USER MOD Set 2.1: A 5 GLN : amide:sc= -0.0605 K(o=1.5,f=0.54) USER MOD Set 2.2: A 7 THR OG1 : rot 180:sc= 0.749 USER MOD Set 2.3: A 17 LYS NZ :NH3+ -134:sc= 0.847 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 4 MET CE :methyl -177:sc= -0.103 (180deg=-0.12) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.18 USER MOD Single : A 12 GLN : amide:sc= 0.778 K(o=0.78,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.725 X(o=-0.72,f=-0.73) USER MOD Single : A 14 GLN : amide:sc= 0.249 K(o=0.25,f=-4.6!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 137:sc= 0.232 USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= 1.25 (180deg=1.12) USER MOD Single : A 30 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.12) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0278) USER MOD Single : A 39 LYS NZ :NH3+ 170:sc= 1.13 (180deg=0.946) USER MOD Single : A 47 GLN : amide:sc= -0.133 K(o=-0.13,f=-0.66) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= 1.14 (180deg=0.879) USER MOD Single : A 57 ASN : amide:sc= 0.519 K(o=0.52,f=-2.8!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 1.13 (180deg=1.01) USER MOD Single : A 65 TYR OH : rot 148:sc= 0.766 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 21 N HIS A 3 -8.019 -13.223 -2.105 1.00 10.00 N ATOM 22 CA HIS A 3 -7.354 -11.944 -2.359 1.00 10.00 C ATOM 23 C HIS A 3 -8.358 -10.776 -2.393 1.00 10.00 C ATOM 24 O HIS A 3 -9.567 -10.977 -2.540 1.00 10.00 O ATOM 25 CB HIS A 3 -6.568 -12.033 -3.680 1.00 10.00 C ATOM 26 CG HIS A 3 -7.431 -12.258 -4.901 1.00 10.00 C ATOM 27 ND1 HIS A 3 -8.039 -13.440 -5.267 1.00 10.00 N ATOM 28 CD2 HIS A 3 -7.761 -11.325 -5.847 1.00 10.00 C ATOM 29 CE1 HIS A 3 -8.723 -13.225 -6.403 1.00 10.00 C ATOM 30 NE2 HIS A 3 -8.584 -11.945 -6.799 1.00 10.00 N ATOM 0 HA HIS A 3 -6.664 -11.743 -1.540 1.00 10.00 H new ATOM 0 HB2 HIS A 3 -6.000 -11.112 -3.815 1.00 10.00 H new ATOM 0 HB3 HIS A 3 -5.845 -12.845 -3.605 1.00 10.00 H new ATOM 0 HD2 HIS A 3 -7.443 -10.293 -5.858 1.00 10.00 H new ATOM 0 HE1 HIS A 3 -9.302 -13.972 -6.925 1.00 10.00 H new ATOM 0 HE2 HIS A 3 -8.995 -11.513 -7.626 1.00 10.00 H new ATOM 38 N MET A 4 -7.839 -9.552 -2.305 1.00 10.00 N ATOM 39 CA MET A 4 -8.549 -8.303 -2.595 1.00 10.00 C ATOM 40 C MET A 4 -7.630 -7.350 -3.370 1.00 10.00 C ATOM 41 O MET A 4 -6.408 -7.413 -3.220 1.00 10.00 O ATOM 42 CB MET A 4 -9.065 -7.649 -1.297 1.00 10.00 C ATOM 43 CG MET A 4 -7.954 -7.136 -0.366 1.00 10.00 C ATOM 44 SD MET A 4 -8.533 -6.337 1.162 1.00 10.00 S ATOM 45 CE MET A 4 -9.321 -4.843 0.501 1.00 10.00 C ATOM 0 H MET A 4 -6.873 -9.395 -2.018 1.00 10.00 H new ATOM 0 HA MET A 4 -9.417 -8.527 -3.215 1.00 10.00 H new ATOM 0 HB2 MET A 4 -9.719 -6.817 -1.558 1.00 10.00 H new ATOM 0 HB3 MET A 4 -9.672 -8.374 -0.755 1.00 10.00 H new ATOM 0 HG2 MET A 4 -7.311 -7.974 -0.098 1.00 10.00 H new ATOM 0 HG3 MET A 4 -7.338 -6.426 -0.918 1.00 10.00 H new ATOM 0 HE1 MET A 4 -9.677 -4.225 1.325 1.00 10.00 H new ATOM 0 HE2 MET A 4 -8.597 -4.280 -0.089 1.00 10.00 H new ATOM 0 HE3 MET A 4 -10.163 -5.125 -0.131 1.00 10.00 H new ATOM 55 N GLN A 5 -8.211 -6.463 -4.177 1.00 10.00 N ATOM 56 CA GLN A 5 -7.489 -5.534 -5.049 1.00 10.00 C ATOM 57 C GLN A 5 -7.670 -4.082 -4.579 1.00 10.00 C ATOM 58 O GLN A 5 -8.753 -3.691 -4.141 1.00 10.00 O ATOM 59 CB GLN A 5 -7.979 -5.755 -6.488 1.00 10.00 C ATOM 60 CG GLN A 5 -7.203 -4.945 -7.537 1.00 10.00 C ATOM 61 CD GLN A 5 -7.823 -5.073 -8.925 1.00 10.00 C ATOM 62 OE1 GLN A 5 -8.617 -4.246 -9.352 1.00 10.00 O ATOM 63 NE2 GLN A 5 -7.490 -6.097 -9.681 1.00 10.00 N ATOM 0 H GLN A 5 -9.224 -6.367 -4.245 1.00 10.00 H new ATOM 0 HA GLN A 5 -6.417 -5.726 -5.008 1.00 10.00 H new ATOM 0 HB2 GLN A 5 -7.901 -6.815 -6.730 1.00 10.00 H new ATOM 0 HB3 GLN A 5 -9.035 -5.492 -6.547 1.00 10.00 H new ATOM 0 HG2 GLN A 5 -7.183 -3.895 -7.244 1.00 10.00 H new ATOM 0 HG3 GLN A 5 -6.169 -5.287 -7.568 1.00 10.00 H new ATOM 0 HE21 GLN A 5 -6.829 -6.793 -9.335 1.00 10.00 H new ATOM 0 HE22 GLN A 5 -7.893 -6.195 -10.613 1.00 10.00 H new ATOM 72 N VAL A 6 -6.615 -3.268 -4.685 1.00 10.00 N ATOM 73 CA VAL A 6 -6.574 -1.872 -4.222 1.00 10.00 C ATOM 74 C VAL A 6 -5.822 -1.010 -5.246 1.00 10.00 C ATOM 75 O VAL A 6 -4.871 -1.462 -5.888 1.00 10.00 O ATOM 76 CB VAL A 6 -5.916 -1.772 -2.823 1.00 10.00 C ATOM 77 CG1 VAL A 6 -6.075 -0.369 -2.223 1.00 10.00 C ATOM 78 CG2 VAL A 6 -6.517 -2.747 -1.795 1.00 10.00 C ATOM 0 H VAL A 6 -5.737 -3.569 -5.108 1.00 10.00 H new ATOM 0 HA VAL A 6 -7.595 -1.500 -4.131 1.00 10.00 H new ATOM 0 HB VAL A 6 -4.869 -2.019 -3.001 1.00 10.00 H new ATOM 0 HG11 VAL A 6 -5.601 -0.337 -1.242 1.00 10.00 H new ATOM 0 HG12 VAL A 6 -5.602 0.363 -2.878 1.00 10.00 H new ATOM 0 HG13 VAL A 6 -7.135 -0.134 -2.122 1.00 10.00 H new ATOM 0 HG21 VAL A 6 -6.010 -2.624 -0.838 1.00 10.00 H new ATOM 0 HG22 VAL A 6 -7.580 -2.537 -1.673 1.00 10.00 H new ATOM 0 HG23 VAL A 6 -6.387 -3.771 -2.145 1.00 10.00 H new ATOM 88 N THR A 7 -6.242 0.245 -5.380 1.00 10.00 N ATOM 89 CA THR A 7 -5.662 1.265 -6.263 1.00 10.00 C ATOM 90 C THR A 7 -4.750 2.166 -5.437 1.00 10.00 C ATOM 91 O THR A 7 -5.159 2.693 -4.404 1.00 10.00 O ATOM 92 CB THR A 7 -6.791 2.100 -6.888 1.00 10.00 C ATOM 93 OG1 THR A 7 -7.705 1.267 -7.579 1.00 10.00 O ATOM 94 CG2 THR A 7 -6.286 3.135 -7.888 1.00 10.00 C ATOM 0 H THR A 7 -7.037 0.601 -4.850 1.00 10.00 H new ATOM 0 HA THR A 7 -5.088 0.790 -7.059 1.00 10.00 H new ATOM 0 HB THR A 7 -7.268 2.613 -6.053 1.00 10.00 H new ATOM 0 HG1 THR A 7 -8.417 1.816 -7.969 1.00 10.00 H new ATOM 0 HG21 THR A 7 -7.131 3.691 -8.294 1.00 10.00 H new ATOM 0 HG22 THR A 7 -5.605 3.823 -7.387 1.00 10.00 H new ATOM 0 HG23 THR A 7 -5.760 2.631 -8.699 1.00 10.00 H new ATOM 102 N LEU A 8 -3.498 2.328 -5.859 1.00 10.00 N ATOM 103 CA LEU A 8 -2.431 2.978 -5.095 1.00 10.00 C ATOM 104 C LEU A 8 -1.882 4.164 -5.887 1.00 10.00 C ATOM 105 O LEU A 8 -1.480 3.983 -7.036 1.00 10.00 O ATOM 106 CB LEU A 8 -1.272 1.996 -4.818 1.00 10.00 C ATOM 107 CG LEU A 8 -1.611 0.579 -4.334 1.00 10.00 C ATOM 108 CD1 LEU A 8 -0.342 -0.101 -3.842 1.00 10.00 C ATOM 109 CD2 LEU A 8 -2.581 0.549 -3.158 1.00 10.00 C ATOM 0 H LEU A 8 -3.186 2.000 -6.773 1.00 10.00 H new ATOM 0 HA LEU A 8 -2.851 3.313 -4.147 1.00 10.00 H new ATOM 0 HB2 LEU A 8 -0.691 1.903 -5.735 1.00 10.00 H new ATOM 0 HB3 LEU A 8 -0.621 2.454 -4.073 1.00 10.00 H new ATOM 0 HG LEU A 8 -2.069 0.079 -5.187 1.00 10.00 H new ATOM 0 HD11 LEU A 8 -0.579 -1.108 -3.497 1.00 10.00 H new ATOM 0 HD12 LEU A 8 0.380 -0.157 -4.657 1.00 10.00 H new ATOM 0 HD13 LEU A 8 0.083 0.474 -3.019 1.00 10.00 H new ATOM 0 HD21 LEU A 8 -2.773 -0.485 -2.871 1.00 10.00 H new ATOM 0 HD22 LEU A 8 -2.146 1.085 -2.314 1.00 10.00 H new ATOM 0 HD23 LEU A 8 -3.518 1.026 -3.447 1.00 10.00 H new ATOM 121 N LYS A 9 -1.812 5.352 -5.277 1.00 10.00 N ATOM 122 CA LYS A 9 -1.203 6.551 -5.876 1.00 10.00 C ATOM 123 C LYS A 9 0.028 7.021 -5.105 1.00 10.00 C ATOM 124 O LYS A 9 0.136 6.810 -3.898 1.00 10.00 O ATOM 125 CB LYS A 9 -2.242 7.662 -6.108 1.00 10.00 C ATOM 126 CG LYS A 9 -2.731 8.347 -4.827 1.00 10.00 C ATOM 127 CD LYS A 9 -3.883 9.330 -5.094 1.00 10.00 C ATOM 128 CE LYS A 9 -3.474 10.489 -6.012 1.00 10.00 C ATOM 129 NZ LYS A 9 -4.600 11.437 -6.223 1.00 10.00 N ATOM 0 H LYS A 9 -2.181 5.513 -4.340 1.00 10.00 H new ATOM 0 HA LYS A 9 -0.836 6.271 -6.864 1.00 10.00 H new ATOM 0 HB2 LYS A 9 -1.810 8.415 -6.767 1.00 10.00 H new ATOM 0 HB3 LYS A 9 -3.100 7.238 -6.629 1.00 10.00 H new ATOM 0 HG2 LYS A 9 -3.060 7.590 -4.116 1.00 10.00 H new ATOM 0 HG3 LYS A 9 -1.901 8.880 -4.363 1.00 10.00 H new ATOM 0 HD2 LYS A 9 -4.717 8.792 -5.545 1.00 10.00 H new ATOM 0 HD3 LYS A 9 -4.239 9.732 -4.145 1.00 10.00 H new ATOM 0 HE2 LYS A 9 -2.627 11.019 -5.576 1.00 10.00 H new ATOM 0 HE3 LYS A 9 -3.143 10.095 -6.973 1.00 10.00 H new ATOM 0 HZ1 LYS A 9 -4.291 12.209 -6.848 1.00 10.00 H new ATOM 0 HZ2 LYS A 9 -5.399 10.935 -6.661 1.00 10.00 H new ATOM 0 HZ3 LYS A 9 -4.898 11.831 -5.308 1.00 10.00 H new ATOM 143 N THR A 10 0.969 7.650 -5.796 1.00 10.00 N ATOM 144 CA THR A 10 2.290 7.991 -5.246 1.00 10.00 C ATOM 145 C THR A 10 2.387 9.453 -4.803 1.00 10.00 C ATOM 146 O THR A 10 1.652 10.327 -5.274 1.00 10.00 O ATOM 147 CB THR A 10 3.390 7.719 -6.287 1.00 10.00 C ATOM 148 OG1 THR A 10 3.217 8.553 -7.412 1.00 10.00 O ATOM 149 CG2 THR A 10 3.409 6.269 -6.774 1.00 10.00 C ATOM 0 H THR A 10 0.843 7.944 -6.765 1.00 10.00 H new ATOM 0 HA THR A 10 2.428 7.360 -4.368 1.00 10.00 H new ATOM 0 HB THR A 10 4.335 7.925 -5.784 1.00 10.00 H new ATOM 0 HG1 THR A 10 3.924 8.371 -8.066 1.00 10.00 H new ATOM 0 HG21 THR A 10 4.206 6.141 -7.506 1.00 10.00 H new ATOM 0 HG22 THR A 10 3.583 5.603 -5.928 1.00 10.00 H new ATOM 0 HG23 THR A 10 2.451 6.027 -7.235 1.00 10.00 H new ATOM 157 N LEU A 11 3.401 9.750 -3.982 1.00 10.00 N ATOM 158 CA LEU A 11 3.929 11.102 -3.731 1.00 10.00 C ATOM 159 C LEU A 11 4.462 11.839 -4.988 1.00 10.00 C ATOM 160 O LEU A 11 4.941 12.969 -4.884 1.00 10.00 O ATOM 161 CB LEU A 11 4.972 11.045 -2.592 1.00 10.00 C ATOM 162 CG LEU A 11 6.395 10.568 -2.959 1.00 10.00 C ATOM 163 CD1 LEU A 11 7.288 10.640 -1.721 1.00 10.00 C ATOM 164 CD2 LEU A 11 6.447 9.133 -3.491 1.00 10.00 C ATOM 0 H LEU A 11 3.896 9.032 -3.454 1.00 10.00 H new ATOM 0 HA LEU A 11 3.084 11.716 -3.419 1.00 10.00 H new ATOM 0 HB2 LEU A 11 5.052 12.041 -2.157 1.00 10.00 H new ATOM 0 HB3 LEU A 11 4.586 10.387 -1.813 1.00 10.00 H new ATOM 0 HG LEU A 11 6.739 11.229 -3.755 1.00 10.00 H new ATOM 0 HD11 LEU A 11 8.293 10.304 -1.977 1.00 10.00 H new ATOM 0 HD12 LEU A 11 7.330 11.668 -1.362 1.00 10.00 H new ATOM 0 HD13 LEU A 11 6.879 9.999 -0.940 1.00 10.00 H new ATOM 0 HD21 LEU A 11 7.478 8.870 -3.727 1.00 10.00 H new ATOM 0 HD22 LEU A 11 6.062 8.450 -2.734 1.00 10.00 H new ATOM 0 HD23 LEU A 11 5.838 9.057 -4.392 1.00 10.00 H new ATOM 176 N GLN A 12 4.387 11.221 -6.173 1.00 10.00 N ATOM 177 CA GLN A 12 4.769 11.766 -7.484 1.00 10.00 C ATOM 178 C GLN A 12 3.586 11.733 -8.484 1.00 10.00 C ATOM 179 O GLN A 12 3.785 11.842 -9.696 1.00 10.00 O ATOM 180 CB GLN A 12 6.012 11.013 -8.006 1.00 10.00 C ATOM 181 CG GLN A 12 7.264 11.165 -7.124 1.00 10.00 C ATOM 182 CD GLN A 12 7.859 12.573 -7.157 1.00 10.00 C ATOM 183 OE1 GLN A 12 8.756 12.880 -7.932 1.00 10.00 O ATOM 184 NE2 GLN A 12 7.402 13.488 -6.327 1.00 10.00 N ATOM 0 H GLN A 12 4.036 10.266 -6.248 1.00 10.00 H new ATOM 0 HA GLN A 12 5.030 12.818 -7.374 1.00 10.00 H new ATOM 0 HB2 GLN A 12 5.770 9.954 -8.093 1.00 10.00 H new ATOM 0 HB3 GLN A 12 6.244 11.371 -9.009 1.00 10.00 H new ATOM 0 HG2 GLN A 12 7.009 10.910 -6.095 1.00 10.00 H new ATOM 0 HG3 GLN A 12 8.020 10.451 -7.451 1.00 10.00 H new ATOM 0 HE21 GLN A 12 6.655 13.255 -5.672 1.00 10.00 H new ATOM 0 HE22 GLN A 12 7.795 14.429 -6.339 1.00 10.00 H new ATOM 193 N GLN A 13 2.351 11.627 -7.970 1.00 10.00 N ATOM 194 CA GLN A 13 1.089 11.795 -8.703 1.00 10.00 C ATOM 195 C GLN A 13 0.931 10.826 -9.897 1.00 10.00 C ATOM 196 O GLN A 13 0.578 11.221 -11.012 1.00 10.00 O ATOM 197 CB GLN A 13 0.847 13.281 -9.055 1.00 10.00 C ATOM 198 CG GLN A 13 0.763 14.228 -7.838 1.00 10.00 C ATOM 199 CD GLN A 13 2.106 14.491 -7.153 1.00 10.00 C ATOM 200 OE1 GLN A 13 3.083 14.914 -7.761 1.00 10.00 O ATOM 201 NE2 GLN A 13 2.226 14.235 -5.866 1.00 10.00 N ATOM 0 H GLN A 13 2.199 11.411 -6.985 1.00 10.00 H new ATOM 0 HA GLN A 13 0.283 11.500 -8.031 1.00 10.00 H new ATOM 0 HB2 GLN A 13 1.651 13.621 -9.708 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -0.080 13.359 -9.623 1.00 10.00 H new ATOM 0 HG2 GLN A 13 0.340 15.179 -8.161 1.00 10.00 H new ATOM 0 HG3 GLN A 13 0.073 13.804 -7.109 1.00 10.00 H new ATOM 0 HE21 GLN A 13 1.427 13.882 -5.339 1.00 10.00 H new ATOM 0 HE22 GLN A 13 3.118 14.389 -5.396 1.00 10.00 H new ATOM 210 N GLN A 14 1.171 9.535 -9.649 1.00 10.00 N ATOM 211 CA GLN A 14 0.954 8.421 -10.571 1.00 10.00 C ATOM 212 C GLN A 14 0.196 7.313 -9.826 1.00 10.00 C ATOM 213 O GLN A 14 0.371 7.181 -8.612 1.00 10.00 O ATOM 214 CB GLN A 14 2.327 7.933 -11.061 1.00 10.00 C ATOM 215 CG GLN A 14 2.282 6.776 -12.065 1.00 10.00 C ATOM 216 CD GLN A 14 1.483 7.098 -13.329 1.00 10.00 C ATOM 217 OE1 GLN A 14 0.261 7.015 -13.358 1.00 10.00 O ATOM 218 NE2 GLN A 14 2.126 7.477 -14.414 1.00 10.00 N ATOM 0 H GLN A 14 1.542 9.225 -8.751 1.00 10.00 H new ATOM 0 HA GLN A 14 0.361 8.721 -11.435 1.00 10.00 H new ATOM 0 HB2 GLN A 14 2.852 8.771 -11.519 1.00 10.00 H new ATOM 0 HB3 GLN A 14 2.915 7.622 -10.197 1.00 10.00 H new ATOM 0 HG2 GLN A 14 3.301 6.509 -12.346 1.00 10.00 H new ATOM 0 HG3 GLN A 14 1.846 5.902 -11.581 1.00 10.00 H new ATOM 0 HE21 GLN A 14 3.143 7.551 -14.404 1.00 10.00 H new ATOM 0 HE22 GLN A 14 1.607 7.697 -15.264 1.00 10.00 H new ATOM 227 N THR A 15 -0.606 6.504 -10.524 1.00 10.00 N ATOM 228 CA THR A 15 -1.511 5.522 -9.897 1.00 10.00 C ATOM 229 C THR A 15 -1.436 4.153 -10.583 1.00 10.00 C ATOM 230 O THR A 15 -1.335 4.062 -11.809 1.00 10.00 O ATOM 231 CB THR A 15 -2.971 6.026 -9.874 1.00 10.00 C ATOM 232 OG1 THR A 15 -3.038 7.407 -9.568 1.00 10.00 O ATOM 233 CG2 THR A 15 -3.827 5.315 -8.827 1.00 10.00 C ATOM 0 H THR A 15 -0.650 6.508 -11.543 1.00 10.00 H new ATOM 0 HA THR A 15 -1.172 5.403 -8.868 1.00 10.00 H new ATOM 0 HB THR A 15 -3.352 5.819 -10.874 1.00 10.00 H new ATOM 0 HG1 THR A 15 -3.974 7.696 -9.563 1.00 10.00 H new ATOM 0 HG21 THR A 15 -4.842 5.711 -8.857 1.00 10.00 H new ATOM 0 HG22 THR A 15 -3.848 4.246 -9.039 1.00 10.00 H new ATOM 0 HG23 THR A 15 -3.403 5.480 -7.837 1.00 10.00 H new ATOM 241 N PHE A 16 -1.487 3.080 -9.789 1.00 10.00 N ATOM 242 CA PHE A 16 -1.354 1.677 -10.208 1.00 10.00 C ATOM 243 C PHE A 16 -2.227 0.771 -9.321 1.00 10.00 C ATOM 244 O PHE A 16 -2.661 1.191 -8.250 1.00 10.00 O ATOM 245 CB PHE A 16 0.134 1.269 -10.152 1.00 10.00 C ATOM 246 CG PHE A 16 0.806 1.370 -8.789 1.00 10.00 C ATOM 247 CD1 PHE A 16 1.178 2.628 -8.264 1.00 10.00 C ATOM 248 CD2 PHE A 16 1.077 0.204 -8.039 1.00 10.00 C ATOM 249 CE1 PHE A 16 1.762 2.723 -6.988 1.00 10.00 C ATOM 250 CE2 PHE A 16 1.709 0.304 -6.790 1.00 10.00 C ATOM 251 CZ PHE A 16 2.040 1.558 -6.254 1.00 10.00 C ATOM 0 H PHE A 16 -1.630 3.168 -8.783 1.00 10.00 H new ATOM 0 HA PHE A 16 -1.704 1.561 -11.234 1.00 10.00 H new ATOM 0 HB2 PHE A 16 0.221 0.240 -10.502 1.00 10.00 H new ATOM 0 HB3 PHE A 16 0.687 1.893 -10.854 1.00 10.00 H new ATOM 0 HD1 PHE A 16 1.013 3.522 -8.846 1.00 10.00 H new ATOM 0 HD2 PHE A 16 0.798 -0.765 -8.427 1.00 10.00 H new ATOM 0 HE1 PHE A 16 1.997 3.692 -6.572 1.00 10.00 H new ATOM 0 HE2 PHE A 16 1.943 -0.593 -6.236 1.00 10.00 H new ATOM 0 HZ PHE A 16 2.506 1.627 -5.282 1.00 10.00 H new ATOM 261 N LYS A 17 -2.509 -0.468 -9.741 1.00 10.00 N ATOM 262 CA LYS A 17 -3.424 -1.389 -9.031 1.00 10.00 C ATOM 263 C LYS A 17 -2.770 -2.729 -8.708 1.00 10.00 C ATOM 264 O LYS A 17 -2.056 -3.308 -9.528 1.00 10.00 O ATOM 265 CB LYS A 17 -4.711 -1.567 -9.847 1.00 10.00 C ATOM 266 CG LYS A 17 -5.564 -0.293 -9.747 1.00 10.00 C ATOM 267 CD LYS A 17 -6.743 -0.277 -10.715 1.00 10.00 C ATOM 268 CE LYS A 17 -7.810 -1.333 -10.391 1.00 10.00 C ATOM 269 NZ LYS A 17 -8.660 -0.937 -9.235 1.00 10.00 N ATOM 0 H LYS A 17 -2.109 -0.869 -10.589 1.00 10.00 H new ATOM 0 HA LYS A 17 -3.674 -0.942 -8.069 1.00 10.00 H new ATOM 0 HB2 LYS A 17 -4.467 -1.773 -10.889 1.00 10.00 H new ATOM 0 HB3 LYS A 17 -5.274 -2.424 -9.476 1.00 10.00 H new ATOM 0 HG2 LYS A 17 -5.938 -0.194 -8.728 1.00 10.00 H new ATOM 0 HG3 LYS A 17 -4.933 0.574 -9.940 1.00 10.00 H new ATOM 0 HD2 LYS A 17 -7.203 0.711 -10.700 1.00 10.00 H new ATOM 0 HD3 LYS A 17 -6.375 -0.441 -11.728 1.00 10.00 H new ATOM 0 HE2 LYS A 17 -8.440 -1.491 -11.266 1.00 10.00 H new ATOM 0 HE3 LYS A 17 -7.323 -2.284 -10.173 1.00 10.00 H new ATOM 0 HZ1 LYS A 17 -8.761 -1.743 -8.586 1.00 10.00 H new ATOM 0 HZ2 LYS A 17 -8.215 -0.142 -8.733 1.00 10.00 H new ATOM 0 HZ3 LYS A 17 -9.599 -0.648 -9.577 1.00 10.00 H new ATOM 283 N ILE A 18 -3.040 -3.191 -7.490 1.00 10.00 N ATOM 284 CA ILE A 18 -2.331 -4.241 -6.750 1.00 10.00 C ATOM 285 C ILE A 18 -3.345 -5.172 -6.082 1.00 10.00 C ATOM 286 O ILE A 18 -4.425 -4.726 -5.705 1.00 10.00 O ATOM 287 CB ILE A 18 -1.451 -3.543 -5.680 1.00 10.00 C ATOM 288 CG1 ILE A 18 -0.321 -2.701 -6.309 1.00 10.00 C ATOM 289 CG2 ILE A 18 -0.864 -4.511 -4.643 1.00 10.00 C ATOM 290 CD1 ILE A 18 0.598 -3.447 -7.287 1.00 10.00 C ATOM 0 H ILE A 18 -3.819 -2.815 -6.950 1.00 10.00 H new ATOM 0 HA ILE A 18 -1.710 -4.839 -7.417 1.00 10.00 H new ATOM 0 HB ILE A 18 -2.134 -2.876 -5.154 1.00 10.00 H new ATOM 0 HG12 ILE A 18 -0.770 -1.857 -6.833 1.00 10.00 H new ATOM 0 HG13 ILE A 18 0.291 -2.289 -5.506 1.00 10.00 H new ATOM 0 HG21 ILE A 18 -0.260 -3.954 -3.926 1.00 10.00 H new ATOM 0 HG22 ILE A 18 -1.674 -5.018 -4.119 1.00 10.00 H new ATOM 0 HG23 ILE A 18 -0.240 -5.249 -5.147 1.00 10.00 H new ATOM 0 HD11 ILE A 18 1.355 -2.762 -7.669 1.00 10.00 H new ATOM 0 HD12 ILE A 18 1.085 -4.274 -6.770 1.00 10.00 H new ATOM 0 HD13 ILE A 18 0.008 -3.835 -8.117 1.00 10.00 H new ATOM 302 N ASP A 19 -2.992 -6.442 -5.871 1.00 10.00 N ATOM 303 CA ASP A 19 -3.806 -7.406 -5.129 1.00 10.00 C ATOM 304 C ASP A 19 -2.940 -8.271 -4.198 1.00 10.00 C ATOM 305 O ASP A 19 -1.833 -8.681 -4.565 1.00 10.00 O ATOM 306 CB ASP A 19 -4.660 -8.257 -6.086 1.00 10.00 C ATOM 307 CG ASP A 19 -3.846 -9.268 -6.913 1.00 10.00 C ATOM 308 OD1 ASP A 19 -3.249 -8.876 -7.945 1.00 10.00 O ATOM 309 OD2 ASP A 19 -3.835 -10.470 -6.555 1.00 10.00 O ATOM 0 H ASP A 19 -2.117 -6.836 -6.217 1.00 10.00 H new ATOM 0 HA ASP A 19 -4.493 -6.850 -4.492 1.00 10.00 H new ATOM 0 HB2 ASP A 19 -5.410 -8.796 -5.507 1.00 10.00 H new ATOM 0 HB3 ASP A 19 -5.197 -7.595 -6.765 1.00 10.00 H new ATOM 314 N ILE A 20 -3.435 -8.491 -2.976 1.00 10.00 N ATOM 315 CA ILE A 20 -2.850 -9.331 -1.913 1.00 10.00 C ATOM 316 C ILE A 20 -3.973 -10.009 -1.096 1.00 10.00 C ATOM 317 O ILE A 20 -5.148 -9.672 -1.246 1.00 10.00 O ATOM 318 CB ILE A 20 -1.866 -8.543 -0.999 1.00 10.00 C ATOM 319 CG1 ILE A 20 -2.509 -7.515 -0.038 1.00 10.00 C ATOM 320 CG2 ILE A 20 -0.697 -7.902 -1.778 1.00 10.00 C ATOM 321 CD1 ILE A 20 -3.365 -6.414 -0.673 1.00 10.00 C ATOM 0 H ILE A 20 -4.311 -8.062 -2.679 1.00 10.00 H new ATOM 0 HA ILE A 20 -2.252 -10.105 -2.394 1.00 10.00 H new ATOM 0 HB ILE A 20 -1.469 -9.328 -0.355 1.00 10.00 H new ATOM 0 HG12 ILE A 20 -3.129 -8.059 0.675 1.00 10.00 H new ATOM 0 HG13 ILE A 20 -1.712 -7.038 0.532 1.00 10.00 H new ATOM 0 HG21 ILE A 20 -0.047 -7.368 -1.085 1.00 10.00 H new ATOM 0 HG22 ILE A 20 -0.126 -8.681 -2.283 1.00 10.00 H new ATOM 0 HG23 ILE A 20 -1.091 -7.204 -2.517 1.00 10.00 H new ATOM 0 HD11 ILE A 20 -3.756 -5.761 0.108 1.00 10.00 H new ATOM 0 HD12 ILE A 20 -2.754 -5.830 -1.362 1.00 10.00 H new ATOM 0 HD13 ILE A 20 -4.194 -6.866 -1.217 1.00 10.00 H new ATOM 333 N ASP A 21 -3.637 -10.961 -0.223 1.00 10.00 N ATOM 334 CA ASP A 21 -4.589 -11.595 0.710 1.00 10.00 C ATOM 335 C ASP A 21 -5.234 -10.553 1.666 1.00 10.00 C ATOM 336 O ASP A 21 -4.504 -9.747 2.253 1.00 10.00 O ATOM 337 CB ASP A 21 -3.836 -12.690 1.485 1.00 10.00 C ATOM 338 CG ASP A 21 -4.746 -13.568 2.360 1.00 10.00 C ATOM 339 OD1 ASP A 21 -5.384 -13.031 3.293 1.00 10.00 O ATOM 340 OD2 ASP A 21 -4.800 -14.802 2.135 1.00 10.00 O ATOM 0 H ASP A 21 -2.687 -11.322 -0.138 1.00 10.00 H new ATOM 0 HA ASP A 21 -5.413 -12.040 0.152 1.00 10.00 H new ATOM 0 HB2 ASP A 21 -3.307 -13.326 0.775 1.00 10.00 H new ATOM 0 HB3 ASP A 21 -3.082 -12.221 2.117 1.00 10.00 H new ATOM 345 N PRO A 22 -6.571 -10.546 1.867 1.00 10.00 N ATOM 346 CA PRO A 22 -7.263 -9.544 2.694 1.00 10.00 C ATOM 347 C PRO A 22 -6.918 -9.602 4.193 1.00 10.00 C ATOM 348 O PRO A 22 -7.176 -8.643 4.921 1.00 10.00 O ATOM 349 CB PRO A 22 -8.759 -9.787 2.462 1.00 10.00 C ATOM 350 CG PRO A 22 -8.826 -11.268 2.100 1.00 10.00 C ATOM 351 CD PRO A 22 -7.545 -11.468 1.297 1.00 10.00 C ATOM 0 HA PRO A 22 -6.942 -8.545 2.397 1.00 10.00 H new ATOM 0 HB2 PRO A 22 -9.345 -9.565 3.354 1.00 10.00 H new ATOM 0 HB3 PRO A 22 -9.148 -9.160 1.660 1.00 10.00 H new ATOM 0 HG2 PRO A 22 -8.853 -11.902 2.986 1.00 10.00 H new ATOM 0 HG3 PRO A 22 -9.714 -11.503 1.513 1.00 10.00 H new ATOM 0 HD2 PRO A 22 -7.196 -12.498 1.368 1.00 10.00 H new ATOM 0 HD3 PRO A 22 -7.709 -11.259 0.240 1.00 10.00 H new ATOM 359 N GLU A 23 -6.322 -10.695 4.669 1.00 10.00 N ATOM 360 CA GLU A 23 -5.941 -10.927 6.056 1.00 10.00 C ATOM 361 C GLU A 23 -4.408 -10.977 6.259 1.00 10.00 C ATOM 362 O GLU A 23 -3.936 -11.120 7.390 1.00 10.00 O ATOM 363 CB GLU A 23 -6.683 -12.192 6.521 1.00 10.00 C ATOM 364 CG GLU A 23 -6.635 -12.382 8.036 1.00 10.00 C ATOM 365 CD GLU A 23 -7.810 -13.241 8.525 1.00 10.00 C ATOM 366 OE1 GLU A 23 -8.892 -12.662 8.788 1.00 10.00 O ATOM 367 OE2 GLU A 23 -7.664 -14.481 8.658 1.00 10.00 O ATOM 0 H GLU A 23 -6.081 -11.480 4.064 1.00 10.00 H new ATOM 0 HA GLU A 23 -6.240 -10.087 6.683 1.00 10.00 H new ATOM 0 HB2 GLU A 23 -7.723 -12.137 6.199 1.00 10.00 H new ATOM 0 HB3 GLU A 23 -6.245 -13.064 6.036 1.00 10.00 H new ATOM 0 HG2 GLU A 23 -5.694 -12.855 8.316 1.00 10.00 H new ATOM 0 HG3 GLU A 23 -6.662 -11.410 8.528 1.00 10.00 H new ATOM 374 N GLU A 24 -3.604 -10.776 5.203 1.00 10.00 N ATOM 375 CA GLU A 24 -2.202 -10.372 5.376 1.00 10.00 C ATOM 376 C GLU A 24 -2.107 -8.926 5.889 1.00 10.00 C ATOM 377 O GLU A 24 -3.037 -8.128 5.738 1.00 10.00 O ATOM 378 CB GLU A 24 -1.412 -10.522 4.062 1.00 10.00 C ATOM 379 CG GLU A 24 -0.920 -11.955 3.806 1.00 10.00 C ATOM 380 CD GLU A 24 0.363 -12.315 4.590 1.00 10.00 C ATOM 381 OE1 GLU A 24 0.534 -11.883 5.756 1.00 10.00 O ATOM 382 OE2 GLU A 24 1.213 -13.060 4.041 1.00 10.00 O ATOM 0 H GLU A 24 -3.897 -10.885 4.232 1.00 10.00 H new ATOM 0 HA GLU A 24 -1.759 -11.035 6.119 1.00 10.00 H new ATOM 0 HB2 GLU A 24 -2.042 -10.208 3.230 1.00 10.00 H new ATOM 0 HB3 GLU A 24 -0.554 -9.850 4.084 1.00 10.00 H new ATOM 0 HG2 GLU A 24 -1.710 -12.656 4.076 1.00 10.00 H new ATOM 0 HG3 GLU A 24 -0.732 -12.081 2.740 1.00 10.00 H new ATOM 389 N THR A 25 -0.974 -8.575 6.501 1.00 10.00 N ATOM 390 CA THR A 25 -0.693 -7.210 6.975 1.00 10.00 C ATOM 391 C THR A 25 -0.135 -6.324 5.861 1.00 10.00 C ATOM 392 O THR A 25 0.235 -6.801 4.783 1.00 10.00 O ATOM 393 CB THR A 25 0.260 -7.208 8.182 1.00 10.00 C ATOM 394 OG1 THR A 25 1.516 -7.717 7.810 1.00 10.00 O ATOM 395 CG2 THR A 25 -0.257 -8.052 9.348 1.00 10.00 C ATOM 0 H THR A 25 -0.217 -9.233 6.685 1.00 10.00 H new ATOM 0 HA THR A 25 -1.648 -6.793 7.295 1.00 10.00 H new ATOM 0 HB THR A 25 0.333 -6.170 8.508 1.00 10.00 H new ATOM 0 HG1 THR A 25 2.223 -7.165 8.205 1.00 10.00 H new ATOM 0 HG21 THR A 25 0.457 -8.013 10.170 1.00 10.00 H new ATOM 0 HG22 THR A 25 -1.218 -7.661 9.683 1.00 10.00 H new ATOM 0 HG23 THR A 25 -0.379 -9.085 9.023 1.00 10.00 H new ATOM 403 N VAL A 26 -0.030 -5.015 6.124 1.00 10.00 N ATOM 404 CA VAL A 26 0.577 -4.048 5.183 1.00 10.00 C ATOM 405 C VAL A 26 2.013 -4.424 4.796 1.00 10.00 C ATOM 406 O VAL A 26 2.442 -4.071 3.701 1.00 10.00 O ATOM 407 CB VAL A 26 0.492 -2.604 5.719 1.00 10.00 C ATOM 408 CG1 VAL A 26 1.100 -1.545 4.789 1.00 10.00 C ATOM 409 CG2 VAL A 26 -0.979 -2.226 5.935 1.00 10.00 C ATOM 0 H VAL A 26 -0.361 -4.591 6.991 1.00 10.00 H new ATOM 0 HA VAL A 26 -0.012 -4.095 4.267 1.00 10.00 H new ATOM 0 HB VAL A 26 1.070 -2.604 6.643 1.00 10.00 H new ATOM 0 HG11 VAL A 26 0.997 -0.560 5.243 1.00 10.00 H new ATOM 0 HG12 VAL A 26 2.156 -1.763 4.631 1.00 10.00 H new ATOM 0 HG13 VAL A 26 0.579 -1.559 3.832 1.00 10.00 H new ATOM 0 HG21 VAL A 26 -1.041 -1.206 6.314 1.00 10.00 H new ATOM 0 HG22 VAL A 26 -1.515 -2.295 4.988 1.00 10.00 H new ATOM 0 HG23 VAL A 26 -1.428 -2.909 6.657 1.00 10.00 H new ATOM 419 N LYS A 27 2.727 -5.230 5.601 1.00 10.00 N ATOM 420 CA LYS A 27 4.012 -5.850 5.231 1.00 10.00 C ATOM 421 C LYS A 27 3.978 -6.473 3.835 1.00 10.00 C ATOM 422 O LYS A 27 4.874 -6.210 3.040 1.00 10.00 O ATOM 423 CB LYS A 27 4.412 -6.870 6.318 1.00 10.00 C ATOM 424 CG LYS A 27 5.811 -7.490 6.148 1.00 10.00 C ATOM 425 CD LYS A 27 5.787 -8.811 5.364 1.00 10.00 C ATOM 426 CE LYS A 27 7.197 -9.404 5.249 1.00 10.00 C ATOM 427 NZ LYS A 27 7.180 -10.658 4.456 1.00 10.00 N ATOM 0 H LYS A 27 2.422 -5.473 6.544 1.00 10.00 H new ATOM 0 HA LYS A 27 4.774 -5.072 5.180 1.00 10.00 H new ATOM 0 HB2 LYS A 27 4.365 -6.379 7.290 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.675 -7.673 6.330 1.00 10.00 H new ATOM 0 HG2 LYS A 27 6.458 -6.779 5.633 1.00 10.00 H new ATOM 0 HG3 LYS A 27 6.248 -7.665 7.131 1.00 10.00 H new ATOM 0 HD2 LYS A 27 5.128 -9.522 5.862 1.00 10.00 H new ATOM 0 HD3 LYS A 27 5.377 -8.640 4.368 1.00 10.00 H new ATOM 0 HE2 LYS A 27 7.863 -8.681 4.779 1.00 10.00 H new ATOM 0 HE3 LYS A 27 7.594 -9.603 6.244 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 8.156 -10.978 4.291 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 6.659 -11.392 4.978 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 6.713 -10.485 3.543 1.00 10.00 H new ATOM 441 N ALA A 28 2.939 -7.244 3.506 1.00 10.00 N ATOM 442 CA ALA A 28 2.835 -7.942 2.221 1.00 10.00 C ATOM 443 C ALA A 28 2.495 -7.004 1.043 1.00 10.00 C ATOM 444 O ALA A 28 3.058 -7.126 -0.046 1.00 10.00 O ATOM 445 CB ALA A 28 1.765 -9.031 2.376 1.00 10.00 C ATOM 0 H ALA A 28 2.144 -7.403 4.124 1.00 10.00 H new ATOM 0 HA ALA A 28 3.806 -8.371 1.975 1.00 10.00 H new ATOM 0 HB1 ALA A 28 1.659 -9.573 1.437 1.00 10.00 H new ATOM 0 HB2 ALA A 28 2.062 -9.724 3.163 1.00 10.00 H new ATOM 0 HB3 ALA A 28 0.812 -8.570 2.638 1.00 10.00 H new ATOM 451 N LEU A 29 1.608 -6.032 1.266 1.00 10.00 N ATOM 452 CA LEU A 29 1.255 -4.971 0.326 1.00 10.00 C ATOM 453 C LEU A 29 2.467 -4.073 0.026 1.00 10.00 C ATOM 454 O LEU A 29 2.675 -3.691 -1.125 1.00 10.00 O ATOM 455 CB LEU A 29 0.072 -4.212 0.970 1.00 10.00 C ATOM 456 CG LEU A 29 -0.237 -2.833 0.377 1.00 10.00 C ATOM 457 CD1 LEU A 29 -0.671 -2.905 -1.089 1.00 10.00 C ATOM 458 CD2 LEU A 29 -1.352 -2.144 1.160 1.00 10.00 C ATOM 0 H LEU A 29 1.095 -5.962 2.145 1.00 10.00 H new ATOM 0 HA LEU A 29 0.958 -5.363 -0.647 1.00 10.00 H new ATOM 0 HB2 LEU A 29 -0.821 -4.831 0.886 1.00 10.00 H new ATOM 0 HB3 LEU A 29 0.278 -4.092 2.034 1.00 10.00 H new ATOM 0 HG LEU A 29 0.692 -2.266 0.443 1.00 10.00 H new ATOM 0 HD11 LEU A 29 -0.877 -1.900 -1.457 1.00 10.00 H new ATOM 0 HD12 LEU A 29 0.126 -3.353 -1.683 1.00 10.00 H new ATOM 0 HD13 LEU A 29 -1.571 -3.514 -1.172 1.00 10.00 H new ATOM 0 HD21 LEU A 29 -1.554 -1.167 0.721 1.00 10.00 H new ATOM 0 HD22 LEU A 29 -2.255 -2.754 1.120 1.00 10.00 H new ATOM 0 HD23 LEU A 29 -1.044 -2.019 2.198 1.00 10.00 H new ATOM 470 N LYS A 30 3.275 -3.730 1.033 1.00 10.00 N ATOM 471 CA LYS A 30 4.449 -2.861 0.876 1.00 10.00 C ATOM 472 C LYS A 30 5.722 -3.571 0.417 1.00 10.00 C ATOM 473 O LYS A 30 6.498 -2.975 -0.329 1.00 10.00 O ATOM 474 CB LYS A 30 4.540 -1.872 2.057 1.00 10.00 C ATOM 475 CG LYS A 30 5.868 -1.689 2.800 1.00 10.00 C ATOM 476 CD LYS A 30 6.182 -2.844 3.748 1.00 10.00 C ATOM 477 CE LYS A 30 7.231 -2.379 4.768 1.00 10.00 C ATOM 478 NZ LYS A 30 7.573 -3.442 5.747 1.00 10.00 N ATOM 0 H LYS A 30 3.133 -4.050 1.991 1.00 10.00 H new ATOM 0 HA LYS A 30 4.307 -2.226 0.002 1.00 10.00 H new ATOM 0 HB2 LYS A 30 4.239 -0.893 1.684 1.00 10.00 H new ATOM 0 HB3 LYS A 30 3.795 -2.176 2.793 1.00 10.00 H new ATOM 0 HG2 LYS A 30 6.675 -1.592 2.073 1.00 10.00 H new ATOM 0 HG3 LYS A 30 5.836 -0.759 3.367 1.00 10.00 H new ATOM 0 HD2 LYS A 30 5.276 -3.168 4.260 1.00 10.00 H new ATOM 0 HD3 LYS A 30 6.555 -3.701 3.187 1.00 10.00 H new ATOM 0 HE2 LYS A 30 8.134 -2.068 4.242 1.00 10.00 H new ATOM 0 HE3 LYS A 30 6.855 -1.505 5.300 1.00 10.00 H new ATOM 0 HZ1 LYS A 30 8.419 -3.161 6.283 1.00 10.00 H new ATOM 0 HZ2 LYS A 30 6.778 -3.579 6.403 1.00 10.00 H new ATOM 0 HZ3 LYS A 30 7.762 -4.331 5.242 1.00 10.00 H new ATOM 492 N GLU A 31 5.920 -4.851 0.748 1.00 10.00 N ATOM 493 CA GLU A 31 7.039 -5.625 0.193 1.00 10.00 C ATOM 494 C GLU A 31 6.911 -5.824 -1.324 1.00 10.00 C ATOM 495 O GLU A 31 7.909 -5.734 -2.044 1.00 10.00 O ATOM 496 CB GLU A 31 7.273 -6.957 0.939 1.00 10.00 C ATOM 497 CG GLU A 31 6.475 -8.173 0.446 1.00 10.00 C ATOM 498 CD GLU A 31 6.835 -9.433 1.251 1.00 10.00 C ATOM 499 OE1 GLU A 31 7.968 -9.951 1.115 1.00 10.00 O ATOM 500 OE2 GLU A 31 5.997 -9.921 2.044 1.00 10.00 O ATOM 0 H GLU A 31 5.325 -5.372 1.393 1.00 10.00 H new ATOM 0 HA GLU A 31 7.934 -5.025 0.357 1.00 10.00 H new ATOM 0 HB2 GLU A 31 8.334 -7.199 0.878 1.00 10.00 H new ATOM 0 HB3 GLU A 31 7.041 -6.802 1.993 1.00 10.00 H new ATOM 0 HG2 GLU A 31 5.407 -7.972 0.536 1.00 10.00 H new ATOM 0 HG3 GLU A 31 6.679 -8.342 -0.611 1.00 10.00 H new ATOM 507 N LYS A 32 5.688 -6.066 -1.824 1.00 10.00 N ATOM 508 CA LYS A 32 5.481 -6.444 -3.227 1.00 10.00 C ATOM 509 C LYS A 32 5.697 -5.288 -4.210 1.00 10.00 C ATOM 510 O LYS A 32 6.184 -5.524 -5.313 1.00 10.00 O ATOM 511 CB LYS A 32 4.111 -7.136 -3.354 1.00 10.00 C ATOM 512 CG LYS A 32 2.915 -6.176 -3.455 1.00 10.00 C ATOM 513 CD LYS A 32 2.513 -5.802 -4.896 1.00 10.00 C ATOM 514 CE LYS A 32 2.116 -6.984 -5.806 1.00 10.00 C ATOM 515 NZ LYS A 32 1.154 -7.940 -5.182 1.00 10.00 N ATOM 0 H LYS A 32 4.830 -6.006 -1.276 1.00 10.00 H new ATOM 0 HA LYS A 32 6.251 -7.157 -3.521 1.00 10.00 H new ATOM 0 HB2 LYS A 32 4.122 -7.775 -4.237 1.00 10.00 H new ATOM 0 HB3 LYS A 32 3.966 -7.786 -2.491 1.00 10.00 H new ATOM 0 HG2 LYS A 32 2.058 -6.631 -2.959 1.00 10.00 H new ATOM 0 HG3 LYS A 32 3.152 -5.263 -2.909 1.00 10.00 H new ATOM 0 HD2 LYS A 32 1.677 -5.104 -4.851 1.00 10.00 H new ATOM 0 HD3 LYS A 32 3.345 -5.273 -5.360 1.00 10.00 H new ATOM 0 HE2 LYS A 32 1.677 -6.591 -6.723 1.00 10.00 H new ATOM 0 HE3 LYS A 32 3.017 -7.527 -6.091 1.00 10.00 H new ATOM 0 HZ1 LYS A 32 0.938 -8.703 -5.854 1.00 10.00 H new ATOM 0 HZ2 LYS A 32 1.576 -8.345 -4.322 1.00 10.00 H new ATOM 0 HZ3 LYS A 32 0.277 -7.438 -4.934 1.00 10.00 H new ATOM 529 N ILE A 33 5.362 -4.042 -3.841 1.00 10.00 N ATOM 530 CA ILE A 33 5.466 -2.891 -4.755 1.00 10.00 C ATOM 531 C ILE A 33 6.921 -2.427 -4.959 1.00 10.00 C ATOM 532 O ILE A 33 7.232 -1.805 -5.974 1.00 10.00 O ATOM 533 CB ILE A 33 4.516 -1.733 -4.372 1.00 10.00 C ATOM 534 CG1 ILE A 33 4.870 -0.959 -3.085 1.00 10.00 C ATOM 535 CG2 ILE A 33 3.069 -2.249 -4.300 1.00 10.00 C ATOM 536 CD1 ILE A 33 5.831 0.207 -3.345 1.00 10.00 C ATOM 0 H ILE A 33 5.015 -3.804 -2.912 1.00 10.00 H new ATOM 0 HA ILE A 33 5.123 -3.246 -5.727 1.00 10.00 H new ATOM 0 HB ILE A 33 4.638 -0.999 -5.169 1.00 10.00 H new ATOM 0 HG12 ILE A 33 3.955 -0.577 -2.632 1.00 10.00 H new ATOM 0 HG13 ILE A 33 5.321 -1.643 -2.366 1.00 10.00 H new ATOM 0 HG21 ILE A 33 2.403 -1.429 -4.030 1.00 10.00 H new ATOM 0 HG22 ILE A 33 2.777 -2.649 -5.271 1.00 10.00 H new ATOM 0 HG23 ILE A 33 3.000 -3.035 -3.548 1.00 10.00 H new ATOM 0 HD11 ILE A 33 6.047 0.717 -2.406 1.00 10.00 H new ATOM 0 HD12 ILE A 33 6.759 -0.174 -3.772 1.00 10.00 H new ATOM 0 HD13 ILE A 33 5.372 0.908 -4.042 1.00 10.00 H new ATOM 548 N GLU A 34 7.846 -2.785 -4.058 1.00 10.00 N ATOM 549 CA GLU A 34 9.289 -2.590 -4.282 1.00 10.00 C ATOM 550 C GLU A 34 9.784 -3.377 -5.514 1.00 10.00 C ATOM 551 O GLU A 34 10.648 -2.896 -6.243 1.00 10.00 O ATOM 552 CB GLU A 34 10.086 -2.966 -3.019 1.00 10.00 C ATOM 553 CG GLU A 34 11.546 -2.486 -3.065 1.00 10.00 C ATOM 554 CD GLU A 34 12.358 -3.014 -1.871 1.00 10.00 C ATOM 555 OE1 GLU A 34 12.817 -4.179 -1.906 1.00 10.00 O ATOM 556 OE2 GLU A 34 12.593 -2.260 -0.894 1.00 10.00 O ATOM 0 H GLU A 34 7.620 -3.214 -3.161 1.00 10.00 H new ATOM 0 HA GLU A 34 9.457 -1.533 -4.489 1.00 10.00 H new ATOM 0 HB2 GLU A 34 9.596 -2.537 -2.145 1.00 10.00 H new ATOM 0 HB3 GLU A 34 10.069 -4.049 -2.894 1.00 10.00 H new ATOM 0 HG2 GLU A 34 12.009 -2.818 -3.994 1.00 10.00 H new ATOM 0 HG3 GLU A 34 11.571 -1.396 -3.068 1.00 10.00 H new ATOM 563 N SER A 35 9.182 -4.533 -5.825 1.00 10.00 N ATOM 564 CA SER A 35 9.463 -5.283 -7.063 1.00 10.00 C ATOM 565 C SER A 35 8.982 -4.571 -8.341 1.00 10.00 C ATOM 566 O SER A 35 9.415 -4.923 -9.437 1.00 10.00 O ATOM 567 CB SER A 35 8.839 -6.684 -7.013 1.00 10.00 C ATOM 568 OG SER A 35 9.295 -7.402 -5.874 1.00 10.00 O ATOM 0 H SER A 35 8.485 -4.977 -5.227 1.00 10.00 H new ATOM 0 HA SER A 35 10.550 -5.352 -7.114 1.00 10.00 H new ATOM 0 HB2 SER A 35 7.752 -6.602 -6.985 1.00 10.00 H new ATOM 0 HB3 SER A 35 9.094 -7.233 -7.920 1.00 10.00 H new ATOM 0 HG SER A 35 8.883 -8.291 -5.861 1.00 10.00 H new ATOM 574 N GLU A 36 8.109 -3.561 -8.223 1.00 10.00 N ATOM 575 CA GLU A 36 7.547 -2.805 -9.351 1.00 10.00 C ATOM 576 C GLU A 36 8.243 -1.450 -9.575 1.00 10.00 C ATOM 577 O GLU A 36 8.322 -0.984 -10.716 1.00 10.00 O ATOM 578 CB GLU A 36 6.049 -2.554 -9.106 1.00 10.00 C ATOM 579 CG GLU A 36 5.207 -3.823 -8.890 1.00 10.00 C ATOM 580 CD GLU A 36 5.309 -4.814 -10.069 1.00 10.00 C ATOM 581 OE1 GLU A 36 4.962 -4.440 -11.216 1.00 10.00 O ATOM 582 OE2 GLU A 36 5.719 -5.980 -9.855 1.00 10.00 O ATOM 0 H GLU A 36 7.766 -3.239 -7.318 1.00 10.00 H new ATOM 0 HA GLU A 36 7.706 -3.409 -10.244 1.00 10.00 H new ATOM 0 HB2 GLU A 36 5.941 -1.911 -8.233 1.00 10.00 H new ATOM 0 HB3 GLU A 36 5.643 -2.007 -9.957 1.00 10.00 H new ATOM 0 HG2 GLU A 36 5.532 -4.318 -7.975 1.00 10.00 H new ATOM 0 HG3 GLU A 36 4.164 -3.542 -8.746 1.00 10.00 H new ATOM 589 N LYS A 37 8.744 -0.815 -8.502 1.00 10.00 N ATOM 590 CA LYS A 37 9.247 0.579 -8.508 1.00 10.00 C ATOM 591 C LYS A 37 10.628 0.773 -7.860 1.00 10.00 C ATOM 592 O LYS A 37 11.240 1.829 -8.025 1.00 10.00 O ATOM 593 CB LYS A 37 8.200 1.491 -7.847 1.00 10.00 C ATOM 594 CG LYS A 37 6.861 1.484 -8.601 1.00 10.00 C ATOM 595 CD LYS A 37 5.879 2.474 -7.970 1.00 10.00 C ATOM 596 CE LYS A 37 4.524 2.490 -8.686 1.00 10.00 C ATOM 597 NZ LYS A 37 4.620 2.935 -10.102 1.00 10.00 N ATOM 0 H LYS A 37 8.814 -1.260 -7.587 1.00 10.00 H new ATOM 0 HA LYS A 37 9.396 0.850 -9.553 1.00 10.00 H new ATOM 0 HB2 LYS A 37 8.037 1.168 -6.819 1.00 10.00 H new ATOM 0 HB3 LYS A 37 8.585 2.510 -7.804 1.00 10.00 H new ATOM 0 HG2 LYS A 37 7.026 1.744 -9.647 1.00 10.00 H new ATOM 0 HG3 LYS A 37 6.434 0.481 -8.585 1.00 10.00 H new ATOM 0 HD2 LYS A 37 5.730 2.215 -6.922 1.00 10.00 H new ATOM 0 HD3 LYS A 37 6.311 3.475 -7.993 1.00 10.00 H new ATOM 0 HE2 LYS A 37 4.090 1.490 -8.654 1.00 10.00 H new ATOM 0 HE3 LYS A 37 3.843 3.150 -8.149 1.00 10.00 H new ATOM 0 HZ1 LYS A 37 3.665 3.023 -10.504 1.00 10.00 H new ATOM 0 HZ2 LYS A 37 5.100 3.857 -10.144 1.00 10.00 H new ATOM 0 HZ3 LYS A 37 5.163 2.237 -10.649 1.00 10.00 H new ATOM 611 N GLY A 38 11.138 -0.251 -7.180 1.00 10.00 N ATOM 612 CA GLY A 38 12.528 -0.367 -6.725 1.00 10.00 C ATOM 613 C GLY A 38 12.853 0.289 -5.379 1.00 10.00 C ATOM 614 O GLY A 38 12.214 1.253 -4.943 1.00 10.00 O ATOM 0 H GLY A 38 10.573 -1.059 -6.918 1.00 10.00 H new ATOM 0 HA2 GLY A 38 12.781 -1.425 -6.661 1.00 10.00 H new ATOM 0 HA3 GLY A 38 13.176 0.070 -7.485 1.00 10.00 H new ATOM 618 N LYS A 39 13.935 -0.204 -4.759 1.00 10.00 N ATOM 619 CA LYS A 39 14.602 0.349 -3.566 1.00 10.00 C ATOM 620 C LYS A 39 14.948 1.841 -3.699 1.00 10.00 C ATOM 621 O LYS A 39 14.943 2.576 -2.717 1.00 10.00 O ATOM 622 CB LYS A 39 15.878 -0.491 -3.349 1.00 10.00 C ATOM 623 CG LYS A 39 16.560 -0.313 -1.983 1.00 10.00 C ATOM 624 CD LYS A 39 15.828 -1.008 -0.826 1.00 10.00 C ATOM 625 CE LYS A 39 15.942 -2.537 -0.920 1.00 10.00 C ATOM 626 NZ LYS A 39 15.044 -3.209 0.049 1.00 10.00 N ATOM 0 H LYS A 39 14.397 -1.049 -5.095 1.00 10.00 H new ATOM 0 HA LYS A 39 13.925 0.291 -2.714 1.00 10.00 H new ATOM 0 HB2 LYS A 39 15.625 -1.544 -3.476 1.00 10.00 H new ATOM 0 HB3 LYS A 39 16.596 -0.239 -4.130 1.00 10.00 H new ATOM 0 HG2 LYS A 39 17.577 -0.702 -2.042 1.00 10.00 H new ATOM 0 HG3 LYS A 39 16.638 0.752 -1.763 1.00 10.00 H new ATOM 0 HD2 LYS A 39 16.243 -0.670 0.123 1.00 10.00 H new ATOM 0 HD3 LYS A 39 14.777 -0.720 -0.835 1.00 10.00 H new ATOM 0 HE2 LYS A 39 15.695 -2.860 -1.931 1.00 10.00 H new ATOM 0 HE3 LYS A 39 16.973 -2.838 -0.732 1.00 10.00 H new ATOM 0 HZ1 LYS A 39 15.017 -4.229 -0.152 1.00 10.00 H new ATOM 0 HZ2 LYS A 39 15.399 -3.056 1.015 1.00 10.00 H new ATOM 0 HZ3 LYS A 39 14.086 -2.814 -0.034 1.00 10.00 H new ATOM 640 N ASP A 40 15.220 2.287 -4.926 1.00 10.00 N ATOM 641 CA ASP A 40 15.586 3.669 -5.273 1.00 10.00 C ATOM 642 C ASP A 40 14.472 4.708 -5.014 1.00 10.00 C ATOM 643 O ASP A 40 14.769 5.897 -4.877 1.00 10.00 O ATOM 644 CB ASP A 40 16.012 3.685 -6.751 1.00 10.00 C ATOM 645 CG ASP A 40 16.612 5.036 -7.182 1.00 10.00 C ATOM 646 OD1 ASP A 40 17.709 5.396 -6.693 1.00 10.00 O ATOM 647 OD2 ASP A 40 16.010 5.721 -8.045 1.00 10.00 O ATOM 0 H ASP A 40 15.191 1.674 -5.741 1.00 10.00 H new ATOM 0 HA ASP A 40 16.402 3.971 -4.617 1.00 10.00 H new ATOM 0 HB2 ASP A 40 16.744 2.896 -6.922 1.00 10.00 H new ATOM 0 HB3 ASP A 40 15.148 3.460 -7.376 1.00 10.00 H new ATOM 652 N ALA A 41 13.203 4.279 -4.917 1.00 10.00 N ATOM 653 CA ALA A 41 12.044 5.169 -4.770 1.00 10.00 C ATOM 654 C ALA A 41 11.016 4.722 -3.710 1.00 10.00 C ATOM 655 O ALA A 41 10.356 5.577 -3.117 1.00 10.00 O ATOM 656 CB ALA A 41 11.390 5.319 -6.149 1.00 10.00 C ATOM 0 H ALA A 41 12.952 3.291 -4.939 1.00 10.00 H new ATOM 0 HA ALA A 41 12.408 6.126 -4.396 1.00 10.00 H new ATOM 0 HB1 ALA A 41 10.524 5.976 -6.071 1.00 10.00 H new ATOM 0 HB2 ALA A 41 12.109 5.747 -6.848 1.00 10.00 H new ATOM 0 HB3 ALA A 41 11.072 4.341 -6.509 1.00 10.00 H new ATOM 662 N PHE A 42 10.901 3.417 -3.428 1.00 10.00 N ATOM 663 CA PHE A 42 9.953 2.853 -2.453 1.00 10.00 C ATOM 664 C PHE A 42 10.610 1.749 -1.597 1.00 10.00 C ATOM 665 O PHE A 42 10.174 0.592 -1.626 1.00 10.00 O ATOM 666 CB PHE A 42 8.678 2.375 -3.177 1.00 10.00 C ATOM 667 CG PHE A 42 7.893 3.483 -3.857 1.00 10.00 C ATOM 668 CD1 PHE A 42 8.205 3.858 -5.175 1.00 10.00 C ATOM 669 CD2 PHE A 42 6.886 4.176 -3.155 1.00 10.00 C ATOM 670 CE1 PHE A 42 7.541 4.938 -5.783 1.00 10.00 C ATOM 671 CE2 PHE A 42 6.214 5.252 -3.763 1.00 10.00 C ATOM 672 CZ PHE A 42 6.551 5.638 -5.074 1.00 10.00 C ATOM 0 H PHE A 42 11.477 2.707 -3.881 1.00 10.00 H new ATOM 0 HA PHE A 42 9.658 3.633 -1.751 1.00 10.00 H new ATOM 0 HB2 PHE A 42 8.956 1.631 -3.924 1.00 10.00 H new ATOM 0 HB3 PHE A 42 8.030 1.876 -2.456 1.00 10.00 H new ATOM 0 HD1 PHE A 42 8.959 3.314 -5.724 1.00 10.00 H new ATOM 0 HD2 PHE A 42 6.630 3.880 -2.148 1.00 10.00 H new ATOM 0 HE1 PHE A 42 7.792 5.229 -6.793 1.00 10.00 H new ATOM 0 HE2 PHE A 42 5.441 5.781 -3.225 1.00 10.00 H new ATOM 0 HZ PHE A 42 6.047 6.474 -5.536 1.00 10.00 H new ATOM 682 N PRO A 43 11.679 2.062 -0.837 1.00 10.00 N ATOM 683 CA PRO A 43 12.386 1.077 -0.023 1.00 10.00 C ATOM 684 C PRO A 43 11.502 0.541 1.108 1.00 10.00 C ATOM 685 O PRO A 43 10.966 1.312 1.903 1.00 10.00 O ATOM 686 CB PRO A 43 13.632 1.794 0.509 1.00 10.00 C ATOM 687 CG PRO A 43 13.195 3.252 0.558 1.00 10.00 C ATOM 688 CD PRO A 43 12.252 3.386 -0.634 1.00 10.00 C ATOM 0 HA PRO A 43 12.661 0.199 -0.608 1.00 10.00 H new ATOM 0 HB2 PRO A 43 13.920 1.426 1.494 1.00 10.00 H new ATOM 0 HB3 PRO A 43 14.490 1.652 -0.148 1.00 10.00 H new ATOM 0 HG2 PRO A 43 12.692 3.488 1.496 1.00 10.00 H new ATOM 0 HG3 PRO A 43 14.046 3.928 0.474 1.00 10.00 H new ATOM 0 HD2 PRO A 43 11.474 4.123 -0.436 1.00 10.00 H new ATOM 0 HD3 PRO A 43 12.789 3.720 -1.522 1.00 10.00 H new ATOM 696 N VAL A 44 11.391 -0.780 1.243 1.00 10.00 N ATOM 697 CA VAL A 44 10.673 -1.469 2.345 1.00 10.00 C ATOM 698 C VAL A 44 11.134 -1.011 3.740 1.00 10.00 C ATOM 699 O VAL A 44 10.344 -1.012 4.684 1.00 10.00 O ATOM 700 CB VAL A 44 10.807 -2.993 2.148 1.00 10.00 C ATOM 701 CG1 VAL A 44 10.324 -3.855 3.319 1.00 10.00 C ATOM 702 CG2 VAL A 44 9.958 -3.400 0.941 1.00 10.00 C ATOM 0 H VAL A 44 11.806 -1.430 0.576 1.00 10.00 H new ATOM 0 HA VAL A 44 9.619 -1.195 2.301 1.00 10.00 H new ATOM 0 HB VAL A 44 11.876 -3.171 2.032 1.00 10.00 H new ATOM 0 HG11 VAL A 44 10.463 -4.909 3.077 1.00 10.00 H new ATOM 0 HG12 VAL A 44 10.898 -3.609 4.213 1.00 10.00 H new ATOM 0 HG13 VAL A 44 9.267 -3.661 3.502 1.00 10.00 H new ATOM 0 HG21 VAL A 44 10.040 -4.476 0.785 1.00 10.00 H new ATOM 0 HG22 VAL A 44 8.916 -3.138 1.124 1.00 10.00 H new ATOM 0 HG23 VAL A 44 10.313 -2.877 0.053 1.00 10.00 H new ATOM 712 N ALA A 45 12.384 -0.555 3.863 1.00 10.00 N ATOM 713 CA ALA A 45 12.969 0.009 5.083 1.00 10.00 C ATOM 714 C ALA A 45 12.470 1.420 5.479 1.00 10.00 C ATOM 715 O ALA A 45 12.813 1.885 6.568 1.00 10.00 O ATOM 716 CB ALA A 45 14.491 0.021 4.888 1.00 10.00 C ATOM 0 H ALA A 45 13.042 -0.569 3.084 1.00 10.00 H new ATOM 0 HA ALA A 45 12.650 -0.621 5.913 1.00 10.00 H new ATOM 0 HB1 ALA A 45 14.968 0.435 5.776 1.00 10.00 H new ATOM 0 HB2 ALA A 45 14.845 -0.997 4.727 1.00 10.00 H new ATOM 0 HB3 ALA A 45 14.742 0.634 4.022 1.00 10.00 H new ATOM 722 N GLY A 46 11.699 2.113 4.630 1.00 10.00 N ATOM 723 CA GLY A 46 11.273 3.501 4.880 1.00 10.00 C ATOM 724 C GLY A 46 10.019 3.989 4.137 1.00 10.00 C ATOM 725 O GLY A 46 9.595 5.123 4.370 1.00 10.00 O ATOM 0 H GLY A 46 11.352 1.730 3.751 1.00 10.00 H new ATOM 0 HA2 GLY A 46 11.099 3.615 5.950 1.00 10.00 H new ATOM 0 HA3 GLY A 46 12.100 4.162 4.620 1.00 10.00 H new ATOM 729 N GLN A 47 9.401 3.187 3.260 1.00 10.00 N ATOM 730 CA GLN A 47 8.118 3.566 2.647 1.00 10.00 C ATOM 731 C GLN A 47 6.959 3.573 3.670 1.00 10.00 C ATOM 732 O GLN A 47 6.998 2.883 4.695 1.00 10.00 O ATOM 733 CB GLN A 47 7.811 2.736 1.388 1.00 10.00 C ATOM 734 CG GLN A 47 7.521 1.257 1.654 1.00 10.00 C ATOM 735 CD GLN A 47 6.908 0.574 0.435 1.00 10.00 C ATOM 736 OE1 GLN A 47 5.714 0.648 0.196 1.00 10.00 O ATOM 737 NE2 GLN A 47 7.673 -0.131 -0.367 1.00 10.00 N ATOM 0 H GLN A 47 9.762 2.281 2.961 1.00 10.00 H new ATOM 0 HA GLN A 47 8.219 4.597 2.308 1.00 10.00 H new ATOM 0 HB2 GLN A 47 6.953 3.175 0.880 1.00 10.00 H new ATOM 0 HB3 GLN A 47 8.657 2.810 0.705 1.00 10.00 H new ATOM 0 HG2 GLN A 47 8.445 0.749 1.930 1.00 10.00 H new ATOM 0 HG3 GLN A 47 6.842 1.166 2.502 1.00 10.00 H new ATOM 0 HE21 GLN A 47 8.674 -0.204 -0.183 1.00 10.00 H new ATOM 0 HE22 GLN A 47 7.266 -0.605 -1.173 1.00 10.00 H new ATOM 746 N LYS A 48 5.918 4.364 3.386 1.00 10.00 N ATOM 747 CA LYS A 48 4.757 4.638 4.248 1.00 10.00 C ATOM 748 C LYS A 48 3.467 4.693 3.415 1.00 10.00 C ATOM 749 O LYS A 48 3.528 4.975 2.219 1.00 10.00 O ATOM 750 CB LYS A 48 5.050 5.963 4.985 1.00 10.00 C ATOM 751 CG LYS A 48 4.131 6.285 6.175 1.00 10.00 C ATOM 752 CD LYS A 48 4.079 5.191 7.257 1.00 10.00 C ATOM 753 CE LYS A 48 5.442 4.720 7.794 1.00 10.00 C ATOM 754 NZ LYS A 48 6.207 5.807 8.459 1.00 10.00 N ATOM 0 H LYS A 48 5.858 4.860 2.497 1.00 10.00 H new ATOM 0 HA LYS A 48 4.601 3.844 4.978 1.00 10.00 H new ATOM 0 HB2 LYS A 48 6.080 5.938 5.342 1.00 10.00 H new ATOM 0 HB3 LYS A 48 4.981 6.779 4.266 1.00 10.00 H new ATOM 0 HG2 LYS A 48 4.464 7.216 6.634 1.00 10.00 H new ATOM 0 HG3 LYS A 48 3.121 6.457 5.802 1.00 10.00 H new ATOM 0 HD2 LYS A 48 3.487 5.561 8.094 1.00 10.00 H new ATOM 0 HD3 LYS A 48 3.551 4.328 6.851 1.00 10.00 H new ATOM 0 HE2 LYS A 48 5.287 3.906 8.502 1.00 10.00 H new ATOM 0 HE3 LYS A 48 6.032 4.318 6.971 1.00 10.00 H new ATOM 0 HZ1 LYS A 48 7.115 5.433 8.801 1.00 10.00 H new ATOM 0 HZ2 LYS A 48 6.382 6.574 7.779 1.00 10.00 H new ATOM 0 HZ3 LYS A 48 5.660 6.175 9.263 1.00 10.00 H new ATOM 768 N LEU A 49 2.310 4.415 4.015 1.00 10.00 N ATOM 769 CA LEU A 49 1.010 4.335 3.328 1.00 10.00 C ATOM 770 C LEU A 49 -0.112 5.005 4.150 1.00 10.00 C ATOM 771 O LEU A 49 -0.069 5.015 5.383 1.00 10.00 O ATOM 772 CB LEU A 49 0.626 2.862 3.055 1.00 10.00 C ATOM 773 CG LEU A 49 1.417 2.188 1.916 1.00 10.00 C ATOM 774 CD1 LEU A 49 2.685 1.472 2.388 1.00 10.00 C ATOM 775 CD2 LEU A 49 0.561 1.129 1.220 1.00 10.00 C ATOM 0 H LEU A 49 2.243 4.234 5.017 1.00 10.00 H new ATOM 0 HA LEU A 49 1.116 4.868 2.383 1.00 10.00 H new ATOM 0 HB2 LEU A 49 0.773 2.288 3.970 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -0.437 2.816 2.817 1.00 10.00 H new ATOM 0 HG LEU A 49 1.693 3.004 1.248 1.00 10.00 H new ATOM 0 HD11 LEU A 49 3.189 1.022 1.532 1.00 10.00 H new ATOM 0 HD12 LEU A 49 3.352 2.190 2.865 1.00 10.00 H new ATOM 0 HD13 LEU A 49 2.419 0.693 3.103 1.00 10.00 H new ATOM 0 HD21 LEU A 49 1.137 0.665 0.419 1.00 10.00 H new ATOM 0 HD22 LEU A 49 0.265 0.368 1.942 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -0.329 1.598 0.802 1.00 10.00 H new ATOM 787 N ILE A 50 -1.142 5.505 3.460 1.00 10.00 N ATOM 788 CA ILE A 50 -2.351 6.134 4.027 1.00 10.00 C ATOM 789 C ILE A 50 -3.590 5.721 3.221 1.00 10.00 C ATOM 790 O ILE A 50 -3.583 5.805 1.995 1.00 10.00 O ATOM 791 CB ILE A 50 -2.205 7.683 4.010 1.00 10.00 C ATOM 792 CG1 ILE A 50 -1.220 8.215 5.072 1.00 10.00 C ATOM 793 CG2 ILE A 50 -3.554 8.412 4.184 1.00 10.00 C ATOM 794 CD1 ILE A 50 -1.666 7.982 6.522 1.00 10.00 C ATOM 0 H ILE A 50 -1.161 5.484 2.440 1.00 10.00 H new ATOM 0 HA ILE A 50 -2.469 5.798 5.057 1.00 10.00 H new ATOM 0 HB ILE A 50 -1.803 7.900 3.020 1.00 10.00 H new ATOM 0 HG12 ILE A 50 -0.251 7.740 4.922 1.00 10.00 H new ATOM 0 HG13 ILE A 50 -1.078 9.284 4.915 1.00 10.00 H new ATOM 0 HG21 ILE A 50 -3.390 9.489 4.164 1.00 10.00 H new ATOM 0 HG22 ILE A 50 -4.226 8.132 3.373 1.00 10.00 H new ATOM 0 HG23 ILE A 50 -4.000 8.130 5.138 1.00 10.00 H new ATOM 0 HD11 ILE A 50 -0.917 8.386 7.203 1.00 10.00 H new ATOM 0 HD12 ILE A 50 -2.619 8.481 6.694 1.00 10.00 H new ATOM 0 HD13 ILE A 50 -1.779 6.913 6.701 1.00 10.00 H new ATOM 806 N TYR A 51 -4.691 5.384 3.900 1.00 10.00 N ATOM 807 CA TYR A 51 -6.008 5.181 3.273 1.00 10.00 C ATOM 808 C TYR A 51 -6.943 6.344 3.626 1.00 10.00 C ATOM 809 O TYR A 51 -7.686 6.293 4.605 1.00 10.00 O ATOM 810 CB TYR A 51 -6.587 3.801 3.628 1.00 10.00 C ATOM 811 CG TYR A 51 -7.950 3.500 3.019 1.00 10.00 C ATOM 812 CD1 TYR A 51 -8.192 3.707 1.646 1.00 10.00 C ATOM 813 CD2 TYR A 51 -8.986 3.002 3.836 1.00 10.00 C ATOM 814 CE1 TYR A 51 -9.460 3.434 1.096 1.00 10.00 C ATOM 815 CE2 TYR A 51 -10.257 2.727 3.292 1.00 10.00 C ATOM 816 CZ TYR A 51 -10.498 2.948 1.918 1.00 10.00 C ATOM 817 OH TYR A 51 -11.716 2.662 1.377 1.00 10.00 O ATOM 0 H TYR A 51 -4.697 5.242 4.910 1.00 10.00 H new ATOM 0 HA TYR A 51 -5.896 5.182 2.189 1.00 10.00 H new ATOM 0 HB2 TYR A 51 -5.883 3.034 3.304 1.00 10.00 H new ATOM 0 HB3 TYR A 51 -6.665 3.724 4.712 1.00 10.00 H new ATOM 0 HD1 TYR A 51 -7.400 4.077 1.011 1.00 10.00 H new ATOM 0 HD2 TYR A 51 -8.804 2.830 4.887 1.00 10.00 H new ATOM 0 HE1 TYR A 51 -9.637 3.597 0.043 1.00 10.00 H new ATOM 0 HE2 TYR A 51 -11.046 2.348 3.925 1.00 10.00 H new ATOM 0 HH TYR A 51 -12.318 2.337 2.079 1.00 10.00 H new ATOM 827 N ALA A 52 -6.837 7.431 2.851 1.00 10.00 N ATOM 828 CA ALA A 52 -7.657 8.653 2.922 1.00 10.00 C ATOM 829 C ALA A 52 -7.817 9.288 4.333 1.00 10.00 C ATOM 830 O ALA A 52 -8.806 9.975 4.601 1.00 10.00 O ATOM 831 CB ALA A 52 -8.991 8.363 2.215 1.00 10.00 C ATOM 0 H ALA A 52 -6.135 7.487 2.113 1.00 10.00 H new ATOM 0 HA ALA A 52 -7.119 9.446 2.403 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -9.622 9.251 2.251 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -8.801 8.094 1.176 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -9.497 7.538 2.717 1.00 10.00 H new ATOM 837 N GLY A 53 -6.859 9.052 5.238 1.00 10.00 N ATOM 838 CA GLY A 53 -6.867 9.534 6.629 1.00 10.00 C ATOM 839 C GLY A 53 -6.548 8.465 7.685 1.00 10.00 C ATOM 840 O GLY A 53 -6.361 8.812 8.857 1.00 10.00 O ATOM 0 H GLY A 53 -6.029 8.502 5.017 1.00 10.00 H new ATOM 0 HA2 GLY A 53 -6.143 10.343 6.722 1.00 10.00 H new ATOM 0 HA3 GLY A 53 -7.848 9.957 6.846 1.00 10.00 H new ATOM 844 N LYS A 54 -6.460 7.183 7.299 1.00 10.00 N ATOM 845 CA LYS A 54 -6.136 6.054 8.193 1.00 10.00 C ATOM 846 C LYS A 54 -4.666 5.674 8.046 1.00 10.00 C ATOM 847 O LYS A 54 -4.124 5.721 6.939 1.00 10.00 O ATOM 848 CB LYS A 54 -7.006 4.820 7.889 1.00 10.00 C ATOM 849 CG LYS A 54 -8.511 5.112 7.882 1.00 10.00 C ATOM 850 CD LYS A 54 -9.328 3.814 7.865 1.00 10.00 C ATOM 851 CE LYS A 54 -10.791 4.120 7.533 1.00 10.00 C ATOM 852 NZ LYS A 54 -11.620 2.888 7.541 1.00 10.00 N ATOM 0 H LYS A 54 -6.615 6.893 6.334 1.00 10.00 H new ATOM 0 HA LYS A 54 -6.339 6.378 9.214 1.00 10.00 H new ATOM 0 HB2 LYS A 54 -6.719 4.415 6.919 1.00 10.00 H new ATOM 0 HB3 LYS A 54 -6.798 4.049 8.631 1.00 10.00 H new ATOM 0 HG2 LYS A 54 -8.774 5.699 8.762 1.00 10.00 H new ATOM 0 HG3 LYS A 54 -8.763 5.715 7.010 1.00 10.00 H new ATOM 0 HD2 LYS A 54 -8.916 3.125 7.128 1.00 10.00 H new ATOM 0 HD3 LYS A 54 -9.262 3.320 8.835 1.00 10.00 H new ATOM 0 HE2 LYS A 54 -11.188 4.832 8.257 1.00 10.00 H new ATOM 0 HE3 LYS A 54 -10.851 4.594 6.553 1.00 10.00 H new ATOM 0 HZ1 LYS A 54 -12.508 3.064 7.029 1.00 10.00 H new ATOM 0 HZ2 LYS A 54 -11.100 2.116 7.077 1.00 10.00 H new ATOM 0 HZ3 LYS A 54 -11.834 2.620 8.523 1.00 10.00 H new ATOM 866 N ILE A 55 -4.044 5.249 9.144 1.00 10.00 N ATOM 867 CA ILE A 55 -2.596 5.024 9.229 1.00 10.00 C ATOM 868 C ILE A 55 -2.319 3.525 9.057 1.00 10.00 C ATOM 869 O ILE A 55 -2.341 2.746 10.015 1.00 10.00 O ATOM 870 CB ILE A 55 -2.008 5.577 10.553 1.00 10.00 C ATOM 871 CG1 ILE A 55 -2.517 6.978 10.971 1.00 10.00 C ATOM 872 CG2 ILE A 55 -0.471 5.570 10.475 1.00 10.00 C ATOM 873 CD1 ILE A 55 -2.329 8.100 9.943 1.00 10.00 C ATOM 0 H ILE A 55 -4.536 5.047 10.014 1.00 10.00 H new ATOM 0 HA ILE A 55 -2.097 5.571 8.429 1.00 10.00 H new ATOM 0 HB ILE A 55 -2.366 4.907 11.335 1.00 10.00 H new ATOM 0 HG12 ILE A 55 -3.579 6.901 11.204 1.00 10.00 H new ATOM 0 HG13 ILE A 55 -2.009 7.267 11.891 1.00 10.00 H new ATOM 0 HG21 ILE A 55 -0.058 5.959 11.406 1.00 10.00 H new ATOM 0 HG22 ILE A 55 -0.119 4.550 10.320 1.00 10.00 H new ATOM 0 HG23 ILE A 55 -0.146 6.196 9.644 1.00 10.00 H new ATOM 0 HD11 ILE A 55 -2.723 9.033 10.347 1.00 10.00 H new ATOM 0 HD12 ILE A 55 -1.268 8.219 9.724 1.00 10.00 H new ATOM 0 HD13 ILE A 55 -2.863 7.847 9.027 1.00 10.00 H new ATOM 885 N LEU A 56 -2.124 3.112 7.805 1.00 10.00 N ATOM 886 CA LEU A 56 -1.812 1.729 7.424 1.00 10.00 C ATOM 887 C LEU A 56 -0.510 1.255 8.104 1.00 10.00 C ATOM 888 O LEU A 56 0.501 1.962 8.109 1.00 10.00 O ATOM 889 CB LEU A 56 -1.774 1.643 5.885 1.00 10.00 C ATOM 890 CG LEU A 56 -3.120 1.225 5.257 1.00 10.00 C ATOM 891 CD1 LEU A 56 -4.310 2.087 5.696 1.00 10.00 C ATOM 892 CD2 LEU A 56 -3.012 1.308 3.734 1.00 10.00 C ATOM 0 H LEU A 56 -2.179 3.743 7.006 1.00 10.00 H new ATOM 0 HA LEU A 56 -2.585 1.046 7.776 1.00 10.00 H new ATOM 0 HB2 LEU A 56 -1.480 2.612 5.482 1.00 10.00 H new ATOM 0 HB3 LEU A 56 -1.006 0.928 5.588 1.00 10.00 H new ATOM 0 HG LEU A 56 -3.311 0.209 5.604 1.00 10.00 H new ATOM 0 HD11 LEU A 56 -5.218 1.728 5.211 1.00 10.00 H new ATOM 0 HD12 LEU A 56 -4.427 2.022 6.778 1.00 10.00 H new ATOM 0 HD13 LEU A 56 -4.132 3.124 5.412 1.00 10.00 H new ATOM 0 HD21 LEU A 56 -3.961 1.014 3.285 1.00 10.00 H new ATOM 0 HD22 LEU A 56 -2.774 2.331 3.441 1.00 10.00 H new ATOM 0 HD23 LEU A 56 -2.224 0.639 3.388 1.00 10.00 H new ATOM 904 N ASN A 57 -0.557 0.063 8.702 1.00 10.00 N ATOM 905 CA ASN A 57 0.384 -0.407 9.718 1.00 10.00 C ATOM 906 C ASN A 57 0.943 -1.811 9.399 1.00 10.00 C ATOM 907 O ASN A 57 0.211 -2.743 9.059 1.00 10.00 O ATOM 908 CB ASN A 57 -0.357 -0.351 11.067 1.00 10.00 C ATOM 909 CG ASN A 57 0.484 -0.878 12.218 1.00 10.00 C ATOM 910 OD1 ASN A 57 0.625 -2.074 12.418 1.00 10.00 O ATOM 911 ND2 ASN A 57 1.095 -0.008 12.991 1.00 10.00 N ATOM 0 H ASN A 57 -1.277 -0.625 8.484 1.00 10.00 H new ATOM 0 HA ASN A 57 1.267 0.231 9.747 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -0.647 0.679 11.276 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -1.276 -0.933 10.997 1.00 10.00 H new ATOM 0 HD21 ASN A 57 1.686 -0.333 13.756 1.00 10.00 H new ATOM 0 HD22 ASN A 57 0.978 0.992 12.825 1.00 10.00 H new ATOM 918 N ASP A 58 2.261 -1.967 9.541 1.00 10.00 N ATOM 919 CA ASP A 58 3.030 -3.167 9.173 1.00 10.00 C ATOM 920 C ASP A 58 2.610 -4.468 9.894 1.00 10.00 C ATOM 921 O ASP A 58 2.927 -5.563 9.427 1.00 10.00 O ATOM 922 CB ASP A 58 4.509 -2.851 9.447 1.00 10.00 C ATOM 923 CG ASP A 58 5.468 -3.883 8.838 1.00 10.00 C ATOM 924 OD1 ASP A 58 5.594 -3.902 7.590 1.00 10.00 O ATOM 925 OD2 ASP A 58 6.150 -4.613 9.595 1.00 10.00 O ATOM 0 H ASP A 58 2.850 -1.232 9.932 1.00 10.00 H new ATOM 0 HA ASP A 58 2.833 -3.377 8.122 1.00 10.00 H new ATOM 0 HB2 ASP A 58 4.744 -1.865 9.046 1.00 10.00 H new ATOM 0 HB3 ASP A 58 4.671 -2.804 10.524 1.00 10.00 H new ATOM 930 N ASP A 59 1.864 -4.368 10.998 1.00 10.00 N ATOM 931 CA ASP A 59 1.486 -5.478 11.885 1.00 10.00 C ATOM 932 C ASP A 59 -0.046 -5.623 12.048 1.00 10.00 C ATOM 933 O ASP A 59 -0.516 -6.391 12.892 1.00 10.00 O ATOM 934 CB ASP A 59 2.216 -5.284 13.228 1.00 10.00 C ATOM 935 CG ASP A 59 2.165 -6.523 14.142 1.00 10.00 C ATOM 936 OD1 ASP A 59 2.550 -7.630 13.691 1.00 10.00 O ATOM 937 OD2 ASP A 59 1.803 -6.385 15.336 1.00 10.00 O ATOM 0 H ASP A 59 1.490 -3.473 11.314 1.00 10.00 H new ATOM 0 HA ASP A 59 1.797 -6.422 11.437 1.00 10.00 H new ATOM 0 HB2 ASP A 59 3.258 -5.030 13.032 1.00 10.00 H new ATOM 0 HB3 ASP A 59 1.774 -4.437 13.753 1.00 10.00 H new ATOM 942 N THR A 60 -0.841 -4.924 11.223 1.00 10.00 N ATOM 943 CA THR A 60 -2.315 -4.987 11.214 1.00 10.00 C ATOM 944 C THR A 60 -2.829 -5.315 9.805 1.00 10.00 C ATOM 945 O THR A 60 -2.288 -4.857 8.794 1.00 10.00 O ATOM 946 CB THR A 60 -2.910 -3.688 11.793 1.00 10.00 C ATOM 947 OG1 THR A 60 -2.604 -3.591 13.169 1.00 10.00 O ATOM 948 CG2 THR A 60 -4.433 -3.600 11.680 1.00 10.00 C ATOM 0 H THR A 60 -0.468 -4.281 10.524 1.00 10.00 H new ATOM 0 HA THR A 60 -2.651 -5.797 11.861 1.00 10.00 H new ATOM 0 HB THR A 60 -2.469 -2.884 11.204 1.00 10.00 H new ATOM 0 HG1 THR A 60 -2.983 -2.763 13.531 1.00 10.00 H new ATOM 0 HG21 THR A 60 -4.776 -2.658 12.109 1.00 10.00 H new ATOM 0 HG22 THR A 60 -4.723 -3.648 10.630 1.00 10.00 H new ATOM 0 HG23 THR A 60 -4.887 -4.431 12.220 1.00 10.00 H new ATOM 956 N ALA A 61 -3.836 -6.192 9.738 1.00 10.00 N ATOM 957 CA ALA A 61 -4.325 -6.815 8.507 1.00 10.00 C ATOM 958 C ALA A 61 -5.136 -5.868 7.600 1.00 10.00 C ATOM 959 O ALA A 61 -5.904 -5.037 8.084 1.00 10.00 O ATOM 960 CB ALA A 61 -5.149 -8.042 8.898 1.00 10.00 C ATOM 0 H ALA A 61 -4.348 -6.496 10.566 1.00 10.00 H new ATOM 0 HA ALA A 61 -3.460 -7.096 7.906 1.00 10.00 H new ATOM 0 HB1 ALA A 61 -5.527 -8.528 7.999 1.00 10.00 H new ATOM 0 HB2 ALA A 61 -4.521 -8.741 9.451 1.00 10.00 H new ATOM 0 HB3 ALA A 61 -5.987 -7.733 9.523 1.00 10.00 H new ATOM 966 N LEU A 62 -5.024 -6.050 6.278 1.00 10.00 N ATOM 967 CA LEU A 62 -5.682 -5.260 5.234 1.00 10.00 C ATOM 968 C LEU A 62 -7.178 -4.972 5.470 1.00 10.00 C ATOM 969 O LEU A 62 -7.612 -3.821 5.377 1.00 10.00 O ATOM 970 CB LEU A 62 -5.455 -6.007 3.905 1.00 10.00 C ATOM 971 CG LEU A 62 -4.327 -5.461 3.022 1.00 10.00 C ATOM 972 CD1 LEU A 62 -4.772 -4.163 2.348 1.00 10.00 C ATOM 973 CD2 LEU A 62 -2.989 -5.220 3.726 1.00 10.00 C ATOM 0 H LEU A 62 -4.441 -6.791 5.889 1.00 10.00 H new ATOM 0 HA LEU A 62 -5.237 -4.265 5.230 1.00 10.00 H new ATOM 0 HB2 LEU A 62 -5.243 -7.053 4.128 1.00 10.00 H new ATOM 0 HB3 LEU A 62 -6.383 -5.985 3.333 1.00 10.00 H new ATOM 0 HG LEU A 62 -4.141 -6.253 2.297 1.00 10.00 H new ATOM 0 HD11 LEU A 62 -3.964 -3.782 1.723 1.00 10.00 H new ATOM 0 HD12 LEU A 62 -5.649 -4.356 1.730 1.00 10.00 H new ATOM 0 HD13 LEU A 62 -5.020 -3.424 3.110 1.00 10.00 H new ATOM 0 HD21 LEU A 62 -2.265 -4.834 3.009 1.00 10.00 H new ATOM 0 HD22 LEU A 62 -3.126 -4.495 4.529 1.00 10.00 H new ATOM 0 HD23 LEU A 62 -2.623 -6.158 4.143 1.00 10.00 H new ATOM 985 N LYS A 63 -7.973 -5.994 5.803 1.00 10.00 N ATOM 986 CA LYS A 63 -9.419 -5.843 6.045 1.00 10.00 C ATOM 987 C LYS A 63 -9.794 -5.015 7.285 1.00 10.00 C ATOM 988 O LYS A 63 -10.904 -4.490 7.341 1.00 10.00 O ATOM 989 CB LYS A 63 -10.118 -7.219 6.000 1.00 10.00 C ATOM 990 CG LYS A 63 -10.144 -8.048 7.295 1.00 10.00 C ATOM 991 CD LYS A 63 -8.785 -8.351 7.947 1.00 10.00 C ATOM 992 CE LYS A 63 -8.941 -8.910 9.372 1.00 10.00 C ATOM 993 NZ LYS A 63 -9.790 -10.129 9.455 1.00 10.00 N ATOM 0 H LYS A 63 -7.636 -6.950 5.913 1.00 10.00 H new ATOM 0 HA LYS A 63 -9.800 -5.234 5.225 1.00 10.00 H new ATOM 0 HB2 LYS A 63 -11.148 -7.062 5.681 1.00 10.00 H new ATOM 0 HB3 LYS A 63 -9.633 -7.817 5.228 1.00 10.00 H new ATOM 0 HG2 LYS A 63 -10.761 -7.522 8.023 1.00 10.00 H new ATOM 0 HG3 LYS A 63 -10.639 -8.996 7.083 1.00 10.00 H new ATOM 0 HD2 LYS A 63 -8.241 -9.069 7.334 1.00 10.00 H new ATOM 0 HD3 LYS A 63 -8.187 -7.440 7.978 1.00 10.00 H new ATOM 0 HE2 LYS A 63 -7.953 -9.140 9.771 1.00 10.00 H new ATOM 0 HE3 LYS A 63 -9.370 -8.137 10.009 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 -9.973 -10.357 10.453 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 -10.693 -9.957 8.968 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 -9.298 -10.926 9.002 1.00 10.00 H new ATOM 1007 N GLU A 64 -8.888 -4.831 8.252 1.00 10.00 N ATOM 1008 CA GLU A 64 -9.135 -4.010 9.454 1.00 10.00 C ATOM 1009 C GLU A 64 -9.240 -2.510 9.126 1.00 10.00 C ATOM 1010 O GLU A 64 -9.925 -1.767 9.832 1.00 10.00 O ATOM 1011 CB GLU A 64 -8.024 -4.204 10.502 1.00 10.00 C ATOM 1012 CG GLU A 64 -7.928 -5.628 11.070 1.00 10.00 C ATOM 1013 CD GLU A 64 -9.128 -5.961 11.978 1.00 10.00 C ATOM 1014 OE1 GLU A 64 -9.070 -5.671 13.197 1.00 10.00 O ATOM 1015 OE2 GLU A 64 -10.133 -6.520 11.480 1.00 10.00 O ATOM 0 H GLU A 64 -7.957 -5.247 8.227 1.00 10.00 H new ATOM 0 HA GLU A 64 -10.089 -4.350 9.857 1.00 10.00 H new ATOM 0 HB2 GLU A 64 -7.067 -3.940 10.052 1.00 10.00 H new ATOM 0 HB3 GLU A 64 -8.192 -3.509 11.324 1.00 10.00 H new ATOM 0 HG2 GLU A 64 -7.882 -6.345 10.250 1.00 10.00 H new ATOM 0 HG3 GLU A 64 -7.003 -5.732 11.637 1.00 10.00 H new ATOM 1022 N TYR A 65 -8.611 -2.069 8.031 1.00 10.00 N ATOM 1023 CA TYR A 65 -8.720 -0.684 7.534 1.00 10.00 C ATOM 1024 C TYR A 65 -9.997 -0.452 6.702 1.00 10.00 C ATOM 1025 O TYR A 65 -10.290 0.685 6.321 1.00 10.00 O ATOM 1026 CB TYR A 65 -7.480 -0.300 6.714 1.00 10.00 C ATOM 1027 CG TYR A 65 -6.156 -0.712 7.325 1.00 10.00 C ATOM 1028 CD1 TYR A 65 -5.680 -0.099 8.503 1.00 10.00 C ATOM 1029 CD2 TYR A 65 -5.421 -1.753 6.726 1.00 10.00 C ATOM 1030 CE1 TYR A 65 -4.477 -0.542 9.082 1.00 10.00 C ATOM 1031 CE2 TYR A 65 -4.237 -2.217 7.317 1.00 10.00 C ATOM 1032 CZ TYR A 65 -3.763 -1.601 8.489 1.00 10.00 C ATOM 1033 OH TYR A 65 -2.607 -2.011 9.048 1.00 10.00 O ATOM 0 H TYR A 65 -8.009 -2.661 7.459 1.00 10.00 H new ATOM 0 HA TYR A 65 -8.783 -0.042 8.413 1.00 10.00 H new ATOM 0 HB2 TYR A 65 -7.563 -0.751 5.725 1.00 10.00 H new ATOM 0 HB3 TYR A 65 -7.477 0.781 6.572 1.00 10.00 H new ATOM 0 HD1 TYR A 65 -6.237 0.707 8.958 1.00 10.00 H new ATOM 0 HD2 TYR A 65 -5.771 -2.197 5.806 1.00 10.00 H new ATOM 0 HE1 TYR A 65 -4.102 -0.071 9.979 1.00 10.00 H new ATOM 0 HE2 TYR A 65 -3.694 -3.040 6.876 1.00 10.00 H new ATOM 0 HH TYR A 65 -2.497 -2.974 8.902 1.00 10.00 H new ATOM 1043 N LYS A 66 -10.769 -1.517 6.426 1.00 10.00 N ATOM 1044 CA LYS A 66 -11.978 -1.555 5.580 1.00 10.00 C ATOM 1045 C LYS A 66 -11.783 -0.903 4.197 1.00 10.00 C ATOM 1046 O LYS A 66 -12.606 -0.105 3.744 1.00 10.00 O ATOM 1047 CB LYS A 66 -13.199 -1.028 6.366 1.00 10.00 C ATOM 1048 CG LYS A 66 -13.469 -1.844 7.641 1.00 10.00 C ATOM 1049 CD LYS A 66 -14.735 -1.357 8.357 1.00 10.00 C ATOM 1050 CE LYS A 66 -14.973 -2.189 9.624 1.00 10.00 C ATOM 1051 NZ LYS A 66 -16.196 -1.754 10.345 1.00 10.00 N ATOM 0 H LYS A 66 -10.552 -2.436 6.813 1.00 10.00 H new ATOM 0 HA LYS A 66 -12.183 -2.597 5.336 1.00 10.00 H new ATOM 0 HB2 LYS A 66 -13.033 0.016 6.634 1.00 10.00 H new ATOM 0 HB3 LYS A 66 -14.081 -1.057 5.726 1.00 10.00 H new ATOM 0 HG2 LYS A 66 -13.576 -2.898 7.385 1.00 10.00 H new ATOM 0 HG3 LYS A 66 -12.615 -1.765 8.314 1.00 10.00 H new ATOM 0 HD2 LYS A 66 -14.633 -0.303 8.617 1.00 10.00 H new ATOM 0 HD3 LYS A 66 -15.594 -1.439 7.691 1.00 10.00 H new ATOM 0 HE2 LYS A 66 -15.063 -3.242 9.356 1.00 10.00 H new ATOM 0 HE3 LYS A 66 -14.110 -2.101 10.285 1.00 10.00 H new ATOM 0 HZ1 LYS A 66 -16.324 -2.339 11.195 1.00 10.00 H new ATOM 0 HZ2 LYS A 66 -16.099 -0.756 10.622 1.00 10.00 H new ATOM 0 HZ3 LYS A 66 -17.023 -1.862 9.723 1.00 10.00 H new ATOM 1065 N ILE A 67 -10.661 -1.226 3.546 1.00 10.00 N ATOM 1066 CA ILE A 67 -10.325 -0.752 2.191 1.00 10.00 C ATOM 1067 C ILE A 67 -11.338 -1.292 1.165 1.00 10.00 C ATOM 1068 O ILE A 67 -11.831 -2.416 1.297 1.00 10.00 O ATOM 1069 CB ILE A 67 -8.861 -1.093 1.817 1.00 10.00 C ATOM 1070 CG1 ILE A 67 -7.917 -0.709 2.979 1.00 10.00 C ATOM 1071 CG2 ILE A 67 -8.462 -0.389 0.505 1.00 10.00 C ATOM 1072 CD1 ILE A 67 -6.424 -0.663 2.654 1.00 10.00 C ATOM 0 H ILE A 67 -9.947 -1.833 3.948 1.00 10.00 H new ATOM 0 HA ILE A 67 -10.397 0.336 2.177 1.00 10.00 H new ATOM 0 HB ILE A 67 -8.773 -2.167 1.652 1.00 10.00 H new ATOM 0 HG12 ILE A 67 -8.216 0.270 3.353 1.00 10.00 H new ATOM 0 HG13 ILE A 67 -8.068 -1.420 3.791 1.00 10.00 H new ATOM 0 HG21 ILE A 67 -7.431 -0.639 0.257 1.00 10.00 H new ATOM 0 HG22 ILE A 67 -9.119 -0.719 -0.300 1.00 10.00 H new ATOM 0 HG23 ILE A 67 -8.554 0.690 0.629 1.00 10.00 H new ATOM 0 HD11 ILE A 67 -5.866 -0.382 3.547 1.00 10.00 H new ATOM 0 HD12 ILE A 67 -6.095 -1.645 2.314 1.00 10.00 H new ATOM 0 HD13 ILE A 67 -6.245 0.071 1.869 1.00 10.00 H new ATOM 1084 N ASP A 68 -11.635 -0.503 0.133 1.00 10.00 N ATOM 1085 CA ASP A 68 -12.632 -0.802 -0.902 1.00 10.00 C ATOM 1086 C ASP A 68 -12.004 -0.813 -2.309 1.00 10.00 C ATOM 1087 O ASP A 68 -11.160 0.020 -2.643 1.00 10.00 O ATOM 1088 CB ASP A 68 -13.768 0.219 -0.785 1.00 10.00 C ATOM 1089 CG ASP A 68 -14.828 0.016 -1.873 1.00 10.00 C ATOM 1090 OD1 ASP A 68 -14.591 0.476 -3.011 1.00 10.00 O ATOM 1091 OD2 ASP A 68 -15.874 -0.617 -1.595 1.00 10.00 O ATOM 0 H ASP A 68 -11.173 0.395 -0.013 1.00 10.00 H new ATOM 0 HA ASP A 68 -13.033 -1.804 -0.749 1.00 10.00 H new ATOM 0 HB2 ASP A 68 -14.234 0.134 0.197 1.00 10.00 H new ATOM 0 HB3 ASP A 68 -13.360 1.227 -0.858 1.00 10.00 H new ATOM 1096 N GLU A 69 -12.420 -1.774 -3.141 1.00 10.00 N ATOM 1097 CA GLU A 69 -11.776 -2.101 -4.422 1.00 10.00 C ATOM 1098 C GLU A 69 -11.962 -1.055 -5.546 1.00 10.00 C ATOM 1099 O GLU A 69 -11.305 -1.165 -6.587 1.00 10.00 O ATOM 1100 CB GLU A 69 -12.222 -3.496 -4.901 1.00 10.00 C ATOM 1101 CG GLU A 69 -12.075 -4.584 -3.821 1.00 10.00 C ATOM 1102 CD GLU A 69 -12.132 -5.997 -4.431 1.00 10.00 C ATOM 1103 OE1 GLU A 69 -13.234 -6.447 -4.832 1.00 10.00 O ATOM 1104 OE2 GLU A 69 -11.074 -6.669 -4.497 1.00 10.00 O ATOM 0 H GLU A 69 -13.231 -2.360 -2.940 1.00 10.00 H new ATOM 0 HA GLU A 69 -10.706 -2.093 -4.212 1.00 10.00 H new ATOM 0 HB2 GLU A 69 -13.263 -3.448 -5.220 1.00 10.00 H new ATOM 0 HB3 GLU A 69 -11.634 -3.778 -5.774 1.00 10.00 H new ATOM 0 HG2 GLU A 69 -11.129 -4.451 -3.296 1.00 10.00 H new ATOM 0 HG3 GLU A 69 -12.868 -4.474 -3.082 1.00 10.00 H new ATOM 1111 N LYS A 70 -12.799 -0.022 -5.342 1.00 10.00 N ATOM 1112 CA LYS A 70 -12.934 1.147 -6.240 1.00 10.00 C ATOM 1113 C LYS A 70 -12.528 2.480 -5.586 1.00 10.00 C ATOM 1114 O LYS A 70 -12.640 3.532 -6.220 1.00 10.00 O ATOM 1115 CB LYS A 70 -14.313 1.153 -6.946 1.00 10.00 C ATOM 1116 CG LYS A 70 -15.579 1.235 -6.073 1.00 10.00 C ATOM 1117 CD LYS A 70 -15.681 2.541 -5.277 1.00 10.00 C ATOM 1118 CE LYS A 70 -16.909 2.588 -4.369 1.00 10.00 C ATOM 1119 NZ LYS A 70 -16.879 3.816 -3.532 1.00 10.00 N ATOM 0 H LYS A 70 -13.416 0.028 -4.531 1.00 10.00 H new ATOM 0 HA LYS A 70 -12.196 1.036 -7.034 1.00 10.00 H new ATOM 0 HB2 LYS A 70 -14.330 1.997 -7.636 1.00 10.00 H new ATOM 0 HB3 LYS A 70 -14.382 0.247 -7.548 1.00 10.00 H new ATOM 0 HG2 LYS A 70 -16.458 1.136 -6.709 1.00 10.00 H new ATOM 0 HG3 LYS A 70 -15.590 0.393 -5.380 1.00 10.00 H new ATOM 0 HD2 LYS A 70 -14.783 2.663 -4.672 1.00 10.00 H new ATOM 0 HD3 LYS A 70 -15.715 3.382 -5.970 1.00 10.00 H new ATOM 0 HE2 LYS A 70 -17.817 2.571 -4.972 1.00 10.00 H new ATOM 0 HE3 LYS A 70 -16.933 1.704 -3.731 1.00 10.00 H new ATOM 0 HZ1 LYS A 70 -17.471 3.676 -2.689 1.00 10.00 H new ATOM 0 HZ2 LYS A 70 -15.901 4.013 -3.239 1.00 10.00 H new ATOM 0 HZ3 LYS A 70 -17.244 4.620 -4.082 1.00 10.00 H new ATOM 1133 N ASN A 71 -12.009 2.439 -4.355 1.00 10.00 N ATOM 1134 CA ASN A 71 -11.367 3.573 -3.677 1.00 10.00 C ATOM 1135 C ASN A 71 -9.832 3.447 -3.829 1.00 10.00 C ATOM 1136 O ASN A 71 -9.334 2.453 -4.371 1.00 10.00 O ATOM 1137 CB ASN A 71 -11.775 3.580 -2.187 1.00 10.00 C ATOM 1138 CG ASN A 71 -13.224 3.938 -1.886 1.00 10.00 C ATOM 1139 OD1 ASN A 71 -14.048 4.249 -2.738 1.00 10.00 O ATOM 1140 ND2 ASN A 71 -13.582 3.933 -0.622 1.00 10.00 N ATOM 0 H ASN A 71 -12.024 1.593 -3.785 1.00 10.00 H new ATOM 0 HA ASN A 71 -11.689 4.513 -4.125 1.00 10.00 H new ATOM 0 HB2 ASN A 71 -11.573 2.592 -1.772 1.00 10.00 H new ATOM 0 HB3 ASN A 71 -11.132 4.284 -1.659 1.00 10.00 H new ATOM 0 HD21 ASN A 71 -14.535 4.186 -0.361 1.00 10.00 H new ATOM 0 HD22 ASN A 71 -12.907 3.676 0.098 1.00 10.00 H new ATOM 1147 N PHE A 72 -9.067 4.440 -3.355 1.00 10.00 N ATOM 1148 CA PHE A 72 -7.604 4.440 -3.457 1.00 10.00 C ATOM 1149 C PHE A 72 -6.866 4.800 -2.159 1.00 10.00 C ATOM 1150 O PHE A 72 -7.412 5.397 -1.230 1.00 10.00 O ATOM 1151 CB PHE A 72 -7.131 5.268 -4.667 1.00 10.00 C ATOM 1152 CG PHE A 72 -7.469 6.748 -4.683 1.00 10.00 C ATOM 1153 CD1 PHE A 72 -6.842 7.640 -3.789 1.00 10.00 C ATOM 1154 CD2 PHE A 72 -8.351 7.249 -5.658 1.00 10.00 C ATOM 1155 CE1 PHE A 72 -7.126 9.016 -3.851 1.00 10.00 C ATOM 1156 CE2 PHE A 72 -8.612 8.628 -5.738 1.00 10.00 C ATOM 1157 CZ PHE A 72 -8.009 9.512 -4.828 1.00 10.00 C ATOM 0 H PHE A 72 -9.446 5.265 -2.890 1.00 10.00 H new ATOM 0 HA PHE A 72 -7.321 3.402 -3.631 1.00 10.00 H new ATOM 0 HB2 PHE A 72 -6.048 5.170 -4.738 1.00 10.00 H new ATOM 0 HB3 PHE A 72 -7.551 4.818 -5.567 1.00 10.00 H new ATOM 0 HD1 PHE A 72 -6.143 7.266 -3.056 1.00 10.00 H new ATOM 0 HD2 PHE A 72 -8.830 6.571 -6.349 1.00 10.00 H new ATOM 0 HE1 PHE A 72 -6.665 9.693 -3.147 1.00 10.00 H new ATOM 0 HE2 PHE A 72 -9.277 9.008 -6.500 1.00 10.00 H new ATOM 0 HZ PHE A 72 -8.222 10.570 -4.878 1.00 10.00 H new ATOM 1167 N VAL A 73 -5.592 4.412 -2.134 1.00 10.00 N ATOM 1168 CA VAL A 73 -4.606 4.511 -1.048 1.00 10.00 C ATOM 1169 C VAL A 73 -3.427 5.338 -1.567 1.00 10.00 C ATOM 1170 O VAL A 73 -3.120 5.298 -2.759 1.00 10.00 O ATOM 1171 CB VAL A 73 -4.162 3.080 -0.665 1.00 10.00 C ATOM 1172 CG1 VAL A 73 -2.886 2.974 0.182 1.00 10.00 C ATOM 1173 CG2 VAL A 73 -5.267 2.350 0.106 1.00 10.00 C ATOM 0 H VAL A 73 -5.178 3.975 -2.957 1.00 10.00 H new ATOM 0 HA VAL A 73 -5.019 4.994 -0.162 1.00 10.00 H new ATOM 0 HB VAL A 73 -3.950 2.625 -1.632 1.00 10.00 H new ATOM 0 HG11 VAL A 73 -2.673 1.925 0.389 1.00 10.00 H new ATOM 0 HG12 VAL A 73 -2.050 3.414 -0.362 1.00 10.00 H new ATOM 0 HG13 VAL A 73 -3.028 3.508 1.122 1.00 10.00 H new ATOM 0 HG21 VAL A 73 -4.929 1.346 0.363 1.00 10.00 H new ATOM 0 HG22 VAL A 73 -5.498 2.900 1.018 1.00 10.00 H new ATOM 0 HG23 VAL A 73 -6.161 2.284 -0.514 1.00 10.00 H new ATOM 1183 N VAL A 74 -2.740 6.072 -0.693 1.00 10.00 N ATOM 1184 CA VAL A 74 -1.570 6.893 -1.040 1.00 10.00 C ATOM 1185 C VAL A 74 -0.309 6.269 -0.442 1.00 10.00 C ATOM 1186 O VAL A 74 -0.340 5.762 0.680 1.00 10.00 O ATOM 1187 CB VAL A 74 -1.736 8.357 -0.583 1.00 10.00 C ATOM 1188 CG1 VAL A 74 -0.658 9.245 -1.225 1.00 10.00 C ATOM 1189 CG2 VAL A 74 -3.100 8.940 -0.977 1.00 10.00 C ATOM 0 H VAL A 74 -2.982 6.117 0.297 1.00 10.00 H new ATOM 0 HA VAL A 74 -1.478 6.913 -2.126 1.00 10.00 H new ATOM 0 HB VAL A 74 -1.647 8.347 0.503 1.00 10.00 H new ATOM 0 HG11 VAL A 74 -0.789 10.275 -0.892 1.00 10.00 H new ATOM 0 HG12 VAL A 74 0.329 8.891 -0.928 1.00 10.00 H new ATOM 0 HG13 VAL A 74 -0.749 9.200 -2.310 1.00 10.00 H new ATOM 0 HG21 VAL A 74 -3.168 9.972 -0.633 1.00 10.00 H new ATOM 0 HG22 VAL A 74 -3.209 8.911 -2.061 1.00 10.00 H new ATOM 0 HG23 VAL A 74 -3.894 8.351 -0.517 1.00 10.00 H new ATOM 1199 N VAL A 75 0.803 6.316 -1.180 1.00 10.00 N ATOM 1200 CA VAL A 75 2.096 5.711 -0.826 1.00 10.00 C ATOM 1201 C VAL A 75 3.197 6.775 -0.896 1.00 10.00 C ATOM 1202 O VAL A 75 3.288 7.549 -1.855 1.00 10.00 O ATOM 1203 CB VAL A 75 2.439 4.522 -1.744 1.00 10.00 C ATOM 1204 CG1 VAL A 75 3.644 3.728 -1.218 1.00 10.00 C ATOM 1205 CG2 VAL A 75 1.268 3.543 -1.937 1.00 10.00 C ATOM 0 H VAL A 75 0.831 6.796 -2.079 1.00 10.00 H new ATOM 0 HA VAL A 75 2.025 5.326 0.191 1.00 10.00 H new ATOM 0 HB VAL A 75 2.675 4.974 -2.707 1.00 10.00 H new ATOM 0 HG11 VAL A 75 3.855 2.898 -1.892 1.00 10.00 H new ATOM 0 HG12 VAL A 75 4.515 4.382 -1.164 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.419 3.340 -0.225 1.00 10.00 H new ATOM 0 HG21 VAL A 75 1.578 2.730 -2.594 1.00 10.00 H new ATOM 0 HG22 VAL A 75 0.971 3.136 -0.971 1.00 10.00 H new ATOM 0 HG23 VAL A 75 0.424 4.069 -2.384 1.00 10.00 H new ATOM 1215 N MET A 76 4.022 6.819 0.147 1.00 10.00 N ATOM 1216 CA MET A 76 4.998 7.868 0.469 1.00 10.00 C ATOM 1217 C MET A 76 6.300 7.243 1.005 1.00 10.00 C ATOM 1218 O MET A 76 6.394 6.023 1.153 1.00 10.00 O ATOM 1219 CB MET A 76 4.392 8.820 1.524 1.00 10.00 C ATOM 1220 CG MET A 76 3.037 9.430 1.133 1.00 10.00 C ATOM 1221 SD MET A 76 2.388 10.578 2.377 1.00 10.00 S ATOM 1222 CE MET A 76 0.746 10.896 1.675 1.00 10.00 C ATOM 0 H MET A 76 4.030 6.072 0.841 1.00 10.00 H new ATOM 0 HA MET A 76 5.234 8.429 -0.435 1.00 10.00 H new ATOM 0 HB2 MET A 76 4.273 8.275 2.460 1.00 10.00 H new ATOM 0 HB3 MET A 76 5.098 9.628 1.713 1.00 10.00 H new ATOM 0 HG2 MET A 76 3.142 9.954 0.183 1.00 10.00 H new ATOM 0 HG3 MET A 76 2.316 8.628 0.976 1.00 10.00 H new ATOM 0 HE1 MET A 76 0.203 11.589 2.318 1.00 10.00 H new ATOM 0 HE2 MET A 76 0.853 11.331 0.681 1.00 10.00 H new ATOM 0 HE3 MET A 76 0.193 9.959 1.603 1.00 10.00 H new ATOM 1232 N VAL A 77 7.302 8.062 1.340 1.00 10.00 N ATOM 1233 CA VAL A 77 8.454 7.659 2.155 1.00 10.00 C ATOM 1234 C VAL A 77 8.618 8.575 3.367 1.00 10.00 C ATOM 1235 O VAL A 77 8.232 9.748 3.334 1.00 10.00 O ATOM 1236 CB VAL A 77 9.755 7.637 1.333 1.00 10.00 C ATOM 1237 CG1 VAL A 77 9.690 6.629 0.178 1.00 10.00 C ATOM 1238 CG2 VAL A 77 10.167 9.014 0.798 1.00 10.00 C ATOM 0 H VAL A 77 7.337 9.039 1.048 1.00 10.00 H new ATOM 0 HA VAL A 77 8.256 6.646 2.504 1.00 10.00 H new ATOM 0 HB VAL A 77 10.524 7.320 2.038 1.00 10.00 H new ATOM 0 HG11 VAL A 77 10.629 6.648 -0.375 1.00 10.00 H new ATOM 0 HG12 VAL A 77 9.524 5.628 0.577 1.00 10.00 H new ATOM 0 HG13 VAL A 77 8.871 6.894 -0.490 1.00 10.00 H new ATOM 0 HG21 VAL A 77 11.092 8.921 0.229 1.00 10.00 H new ATOM 0 HG22 VAL A 77 9.381 9.403 0.151 1.00 10.00 H new ATOM 0 HG23 VAL A 77 10.322 9.697 1.633 1.00 10.00 H new