USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 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 55 THR OG1 : rot 116:sc= 1.16 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.983 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 145:sc= 1.02 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 160:sc= 0.888 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.569 (180deg=-1.11) USER MOD Single : A 1 MET N :NH3+ -150:sc= 1.22 (180deg=1.11) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0.17) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.0684) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 25 ASN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -162:sc= 1.28 (180deg=1.22) USER MOD Single : A 29 LYS NZ :NH3+ 136:sc= 1.09 (180deg=0.0762) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 33 LYS NZ :NH3+ -118:sc= 0.558 (180deg=-0.0496) USER MOD Single : A 40 GLN : amide:sc=-0.00633 X(o=-0.0063,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.421 K(o=-0.42,f=-3.3!) 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=-0.056) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.49 USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-1.1) 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 79:sc= 1.51 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.14 X(o=-0.14,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.227 -7.415 -5.140 1.00 9.67 N ATOM 2 CA MET A 1 11.215 -7.063 -3.667 1.00 10.38 C ATOM 3 C MET A 1 9.970 -7.428 -3.004 1.00 9.62 C ATOM 4 O MET A 1 8.901 -6.970 -3.435 1.00 9.62 O ATOM 5 CB MET A 1 11.447 -5.556 -3.568 1.00 13.77 C ATOM 6 CG MET A 1 11.655 -4.931 -2.211 1.00 16.29 C ATOM 7 SD MET A 1 12.174 -3.146 -2.377 1.00 17.17 S ATOM 8 CE MET A 1 10.563 -2.417 -2.034 1.00 16.11 C ATOM 0 H1 MET A 1 12.201 -7.622 -5.440 1.00 9.67 H new ATOM 0 H2 MET A 1 10.630 -8.251 -5.302 1.00 9.67 H new ATOM 0 H3 MET A 1 10.858 -6.614 -5.691 1.00 9.67 H new ATOM 0 HA MET A 1 11.996 -7.629 -3.158 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.320 -5.318 -4.176 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.592 -5.061 -4.029 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.734 -4.994 -1.631 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.416 -5.486 -1.662 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.683 -1.355 -1.817 1.00 16.11 H new ATOM 0 HE2 MET A 1 9.916 -2.539 -2.903 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.114 -2.914 -1.174 1.00 16.11 H new ATOM 20 N GLN A 2 9.907 -8.265 -1.946 1.00 9.27 N ATOM 21 CA GLN A 2 8.587 -8.634 -1.353 1.00 9.07 C ATOM 22 C GLN A 2 8.133 -7.808 -0.177 1.00 8.72 C ATOM 23 O GLN A 2 8.848 -7.516 0.763 1.00 8.22 O ATOM 24 CB GLN A 2 8.591 -10.141 -0.991 1.00 14.46 C ATOM 25 CG GLN A 2 7.242 -10.665 -0.540 1.00 17.01 C ATOM 26 CD GLN A 2 7.241 -12.171 -0.247 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.463 -12.624 0.878 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.049 -13.000 -1.274 1.00 19.49 N ATOM 0 H GLN A 2 10.717 -8.688 -1.493 1.00 9.27 H new ATOM 0 HA GLN A 2 7.853 -8.412 -2.127 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.921 -10.713 -1.858 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.320 -10.313 -0.200 1.00 14.46 H new ATOM 0 HG2 GLN A 2 6.933 -10.128 0.357 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.501 -10.452 -1.311 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.865 -12.625 -2.205 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.086 -14.009 -1.129 1.00 19.49 H new ATOM 37 N ILE A 3 6.904 -7.336 -0.207 1.00 5.87 N ATOM 38 CA ILE A 3 6.230 -6.641 0.902 1.00 5.07 C ATOM 39 C ILE A 3 4.926 -7.282 1.280 1.00 4.01 C ATOM 40 O ILE A 3 4.345 -8.040 0.505 1.00 4.61 O ATOM 41 CB ILE A 3 5.995 -5.190 0.669 1.00 6.55 C ATOM 42 CG1 ILE A 3 4.985 -4.948 -0.428 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.339 -4.487 0.472 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.633 -3.435 -0.619 1.00 10.83 C ATOM 0 H ILE A 3 6.312 -7.423 -1.033 1.00 5.87 H new ATOM 0 HA ILE A 3 6.940 -6.736 1.724 1.00 5.07 H new ATOM 0 HB ILE A 3 5.532 -4.743 1.548 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.374 -5.345 -1.366 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.073 -5.501 -0.202 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.172 -3.424 0.301 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.953 -4.619 1.363 1.00 5.58 H new ATOM 0 HG23 ILE A 3 7.852 -4.917 -0.389 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.903 -3.330 -1.421 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.215 -3.039 0.306 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.536 -2.881 -0.875 1.00 10.83 H new ATOM 56 N PHE A 4 4.445 -7.085 2.538 1.00 4.55 N ATOM 57 CA PHE A 4 3.275 -7.645 3.149 1.00 4.68 C ATOM 58 C PHE A 4 2.252 -6.559 3.558 1.00 5.30 C ATOM 59 O PHE A 4 2.567 -5.619 4.265 1.00 5.58 O ATOM 60 CB PHE A 4 3.502 -8.456 4.404 1.00 4.83 C ATOM 61 CG PHE A 4 4.556 -9.512 4.192 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.339 -10.572 3.314 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.757 -9.411 4.939 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.375 -11.528 3.094 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.703 -10.413 4.807 1.00 10.61 C ATOM 66 CZ PHE A 4 6.550 -11.470 3.876 1.00 8.90 C ATOM 0 H PHE A 4 4.935 -6.467 3.185 1.00 4.55 H new ATOM 0 HA PHE A 4 2.914 -8.303 2.358 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.805 -7.795 5.216 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.568 -8.928 4.708 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.392 -10.669 2.803 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.930 -8.571 5.596 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.262 -12.289 2.336 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.583 -10.388 5.432 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.320 -12.220 3.766 1.00 8.90 H new ATOM 76 N VAL A 5 0.997 -6.716 3.091 1.00 4.44 N ATOM 77 CA VAL A 5 -0.085 -5.806 3.469 1.00 3.87 C ATOM 78 C VAL A 5 -1.059 -6.491 4.387 1.00 4.93 C ATOM 79 O VAL A 5 -1.476 -7.600 4.052 1.00 6.84 O ATOM 80 CB VAL A 5 -0.897 -5.265 2.296 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.893 -4.168 2.790 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.093 -4.788 1.219 1.00 9.13 C ATOM 0 H VAL A 5 0.716 -7.462 2.455 1.00 4.44 H new ATOM 0 HA VAL A 5 0.424 -4.971 3.950 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.525 -6.034 1.846 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.467 -3.790 1.944 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.572 -4.598 3.526 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.336 -3.349 3.246 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.459 -4.395 0.366 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.730 -4.005 1.631 1.00 9.13 H new ATOM 0 HG23 VAL A 5 0.711 -5.626 0.896 1.00 9.13 H new ATOM 92 N LYS A 6 -1.380 -5.856 5.553 1.00 6.04 N ATOM 93 CA LYS A 6 -2.375 -6.541 6.348 1.00 6.12 C ATOM 94 C LYS A 6 -3.635 -5.711 6.336 1.00 6.57 C ATOM 95 O LYS A 6 -3.643 -4.544 6.721 1.00 5.76 O ATOM 96 CB LYS A 6 -1.953 -6.729 7.860 1.00 7.45 C ATOM 97 CG LYS A 6 -0.483 -7.216 8.122 1.00 11.12 C ATOM 98 CD LYS A 6 -0.381 -8.703 7.783 1.00 14.54 C ATOM 99 CE LYS A 6 0.992 -9.323 8.041 1.00 18.84 C ATOM 100 NZ LYS A 6 1.085 -10.776 7.828 1.00 20.55 N ATOM 0 H LYS A 6 -1.004 -4.978 5.911 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.506 -7.531 5.912 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.094 -5.778 8.374 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.636 -7.444 8.318 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.217 -6.643 7.514 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.211 -7.048 9.164 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.125 -9.246 8.365 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.635 -8.841 6.732 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.719 -8.832 7.395 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.281 -9.106 9.069 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 2.023 -11.012 7.447 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.945 -11.269 8.733 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.352 -11.076 7.154 1.00 20.55 H new ATOM 114 N THR A 7 -4.780 -6.309 5.837 1.00 7.41 N ATOM 115 CA THR A 7 -6.065 -5.617 5.649 1.00 7.48 C ATOM 116 C THR A 7 -6.940 -5.713 6.847 1.00 8.75 C ATOM 117 O THR A 7 -6.499 -6.012 8.007 1.00 8.58 O ATOM 118 CB THR A 7 -6.754 -6.047 4.276 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.080 -7.428 4.263 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.709 -5.774 3.122 1.00 9.17 C ATOM 0 H THR A 7 -4.810 -7.290 5.560 1.00 7.41 H new ATOM 0 HA THR A 7 -5.869 -4.549 5.552 1.00 7.48 H new ATOM 0 HB THR A 7 -7.676 -5.480 4.146 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.502 -7.657 3.408 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.144 -6.056 2.163 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.453 -4.715 3.106 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.809 -6.363 3.299 1.00 9.17 H new ATOM 128 N LEU A 8 -8.240 -5.371 6.698 1.00 9.84 N ATOM 129 CA LEU A 8 -9.208 -5.111 7.815 1.00 14.15 C ATOM 130 C LEU A 8 -9.235 -6.328 8.767 1.00 17.37 C ATOM 131 O LEU A 8 -9.243 -6.163 9.974 1.00 17.01 O ATOM 132 CB LEU A 8 -10.607 -4.787 7.309 1.00 16.63 C ATOM 133 CG LEU A 8 -11.864 -4.732 8.194 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.734 -3.861 9.414 1.00 19.31 C ATOM 135 CD2 LEU A 8 -13.053 -4.239 7.385 1.00 18.59 C ATOM 0 H LEU A 8 -8.667 -5.263 5.778 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.865 -4.230 8.357 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.535 -3.812 6.827 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.821 -5.515 6.526 1.00 16.63 H new ATOM 0 HG LEU A 8 -12.007 -5.754 8.544 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -12.667 -3.882 9.977 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.923 -4.231 10.041 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.518 -2.837 9.109 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -13.937 -4.204 8.022 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -12.843 -3.241 7.001 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -13.233 -4.918 6.552 1.00 18.59 H new ATOM 147 N THR A 9 -9.002 -7.541 8.196 1.00 18.33 N ATOM 148 CA THR A 9 -9.115 -8.803 8.901 1.00 19.24 C ATOM 149 C THR A 9 -7.797 -9.432 9.356 1.00 19.48 C ATOM 150 O THR A 9 -7.720 -10.427 10.063 1.00 23.14 O ATOM 151 CB THR A 9 -9.780 -9.884 8.093 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.139 -10.118 6.790 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.192 -9.390 7.803 1.00 19.70 C ATOM 0 H THR A 9 -8.728 -7.648 7.219 1.00 18.33 H new ATOM 0 HA THR A 9 -9.706 -8.495 9.763 1.00 19.24 H new ATOM 0 HB THR A 9 -9.729 -10.813 8.660 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.615 -10.831 6.315 1.00 20.24 H new ATOM 0 HG21 THR A 9 -11.726 -10.137 7.216 1.00 19.70 H new ATOM 0 HG22 THR A 9 -11.719 -9.222 8.742 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.143 -8.456 7.243 1.00 19.70 H new ATOM 161 N GLY A 10 -6.712 -8.865 8.971 1.00 19.43 N ATOM 162 CA GLY A 10 -5.307 -9.345 9.155 1.00 18.74 C ATOM 163 C GLY A 10 -4.799 -10.108 7.966 1.00 17.62 C ATOM 164 O GLY A 10 -3.613 -10.333 7.889 1.00 19.74 O ATOM 0 H GLY A 10 -6.739 -7.975 8.473 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -4.656 -8.490 9.339 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -5.257 -9.981 10.039 1.00 18.74 H new ATOM 168 N LYS A 11 -5.676 -10.528 7.080 1.00 13.56 N ATOM 169 CA LYS A 11 -5.419 -11.268 5.858 1.00 11.91 C ATOM 170 C LYS A 11 -4.385 -10.614 5.022 1.00 10.18 C ATOM 171 O LYS A 11 -4.396 -9.414 4.795 1.00 9.10 O ATOM 172 CB LYS A 11 -6.654 -11.483 4.943 1.00 13.43 C ATOM 173 CG LYS A 11 -6.408 -12.521 3.833 1.00 16.69 C ATOM 174 CD LYS A 11 -7.762 -13.001 3.273 1.00 17.92 C ATOM 175 CE LYS A 11 -7.571 -13.906 2.087 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.272 -13.071 0.919 1.00 21.93 N ATOM 0 H LYS A 11 -6.672 -10.346 7.204 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.091 -12.238 6.230 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.499 -11.804 5.552 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.932 -10.532 4.488 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.807 -12.083 3.036 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.845 -13.366 4.228 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.314 -13.529 4.051 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -8.364 -12.140 2.983 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.758 -14.608 2.271 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -8.469 -14.498 1.912 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -8.033 -13.170 0.217 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -7.200 -12.076 1.213 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.371 -13.374 0.497 1.00 21.93 H new ATOM 190 N THR A 12 -3.347 -11.364 4.632 1.00 9.63 N ATOM 191 CA THR A 12 -2.112 -10.815 4.102 1.00 9.85 C ATOM 192 C THR A 12 -2.206 -10.791 2.669 1.00 11.66 C ATOM 193 O THR A 12 -2.256 -11.817 2.004 1.00 12.33 O ATOM 194 CB THR A 12 -0.948 -11.708 4.544 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.865 -11.791 5.975 1.00 10.91 O ATOM 196 CG2 THR A 12 0.352 -10.992 4.140 1.00 9.63 C ATOM 0 H THR A 12 -3.351 -12.383 4.680 1.00 9.63 H new ATOM 0 HA THR A 12 -1.944 -9.803 4.471 1.00 9.85 H new ATOM 0 HB THR A 12 -1.091 -12.694 4.101 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.350 -12.586 6.227 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.208 -11.597 4.438 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.368 -10.848 3.060 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.403 -10.023 4.636 1.00 9.63 H new ATOM 204 N ILE A 13 -2.087 -9.593 2.132 1.00 10.42 N ATOM 205 CA ILE A 13 -1.720 -9.440 0.710 1.00 11.84 C ATOM 206 C ILE A 13 -0.213 -9.535 0.586 1.00 10.55 C ATOM 207 O ILE A 13 0.536 -8.632 0.990 1.00 11.92 O ATOM 208 CB ILE A 13 -2.167 -8.199 -0.081 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.552 -7.662 0.374 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.144 -8.485 -1.566 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.034 -6.414 -0.346 1.00 16.46 C ATOM 0 H ILE A 13 -2.233 -8.718 2.635 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.292 -10.245 0.249 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.452 -7.405 0.132 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.292 -8.450 0.235 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.508 -7.451 1.442 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.463 -7.597 -2.112 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.132 -8.754 -1.869 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.821 -9.310 -1.788 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.009 -6.122 0.045 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.322 -5.604 -0.187 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.118 -6.619 -1.413 1.00 16.46 H new ATOM 223 N THR A 14 0.334 -10.565 -0.106 1.00 9.39 N ATOM 224 CA THR A 14 1.775 -10.800 -0.337 1.00 9.63 C ATOM 225 C THR A 14 2.112 -10.169 -1.668 1.00 11.20 C ATOM 226 O THR A 14 1.672 -10.606 -2.711 1.00 11.63 O ATOM 227 CB THR A 14 2.175 -12.286 -0.327 1.00 10.38 C ATOM 228 OG1 THR A 14 1.984 -12.866 0.976 1.00 16.30 O ATOM 229 CG2 THR A 14 3.707 -12.302 -0.667 1.00 11.66 C ATOM 0 H THR A 14 -0.246 -11.285 -0.536 1.00 9.39 H new ATOM 0 HA THR A 14 2.337 -10.355 0.484 1.00 9.63 H new ATOM 0 HB THR A 14 1.572 -12.857 -1.033 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.244 -13.811 0.955 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.066 -13.331 -0.678 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.867 -11.851 -1.646 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.253 -11.735 0.087 1.00 11.66 H new ATOM 237 N LEU A 15 2.999 -9.117 -1.700 1.00 8.29 N ATOM 238 CA LEU A 15 3.269 -8.426 -2.924 1.00 9.03 C ATOM 239 C LEU A 15 4.694 -8.437 -3.359 1.00 8.59 C ATOM 240 O LEU A 15 5.614 -8.152 -2.595 1.00 7.79 O ATOM 241 CB LEU A 15 2.950 -6.865 -2.868 1.00 11.08 C ATOM 242 CG LEU A 15 1.479 -6.584 -2.530 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.187 -5.069 -2.243 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.590 -7.088 -3.680 1.00 15.27 C ATOM 0 H LEU A 15 3.508 -8.767 -0.888 1.00 8.29 H new ATOM 0 HA LEU A 15 2.624 -8.982 -3.604 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.589 -6.392 -2.122 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.193 -6.412 -3.829 1.00 11.08 H new ATOM 0 HG LEU A 15 1.251 -7.118 -1.608 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.130 -4.940 -2.011 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.788 -4.737 -1.396 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.441 -4.477 -3.122 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.456 -6.891 -3.445 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.859 -6.571 -4.601 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.737 -8.160 -3.810 1.00 15.27 H new ATOM 256 N GLU A 16 4.965 -8.725 -4.660 1.00 11.04 N ATOM 257 CA GLU A 16 6.270 -8.495 -5.316 1.00 11.50 C ATOM 258 C GLU A 16 6.306 -7.133 -5.919 1.00 10.13 C ATOM 259 O GLU A 16 5.554 -6.896 -6.879 1.00 9.83 O ATOM 260 CB GLU A 16 6.482 -9.506 -6.498 1.00 17.22 C ATOM 261 CG GLU A 16 7.896 -9.406 -7.159 1.00 23.33 C ATOM 262 CD GLU A 16 8.349 -10.721 -7.838 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.760 -11.075 -8.875 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.418 -11.278 -7.534 1.00 28.86 O ATOM 0 H GLU A 16 4.269 -9.129 -5.287 1.00 11.04 H new ATOM 0 HA GLU A 16 7.041 -8.617 -4.555 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.333 -10.521 -6.129 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.721 -9.329 -7.258 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.887 -8.607 -7.900 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.626 -9.128 -6.399 1.00 23.33 H new ATOM 271 N VAL A 17 7.098 -6.169 -5.338 1.00 8.99 N ATOM 272 CA VAL A 17 7.236 -4.844 -5.868 1.00 8.85 C ATOM 273 C VAL A 17 8.683 -4.620 -6.223 1.00 8.04 C ATOM 274 O VAL A 17 9.510 -5.538 -6.162 1.00 8.99 O ATOM 275 CB VAL A 17 6.740 -3.785 -4.880 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.232 -4.001 -4.694 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.361 -4.006 -3.477 1.00 10.54 C ATOM 0 H VAL A 17 7.642 -6.330 -4.490 1.00 8.99 H new ATOM 0 HA VAL A 17 6.618 -4.748 -6.760 1.00 8.85 H new ATOM 0 HB VAL A 17 7.001 -2.799 -5.265 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.842 -3.262 -3.994 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.728 -3.893 -5.654 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.054 -5.002 -4.301 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.994 -3.242 -2.792 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.080 -4.991 -3.106 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.447 -3.941 -3.545 1.00 10.54 H new ATOM 287 N GLU A 18 9.024 -3.381 -6.586 1.00 7.29 N ATOM 288 CA GLU A 18 10.365 -2.898 -6.709 1.00 7.08 C ATOM 289 C GLU A 18 10.515 -1.609 -5.914 1.00 6.45 C ATOM 290 O GLU A 18 9.523 -0.973 -5.515 1.00 5.28 O ATOM 291 CB GLU A 18 10.788 -2.775 -8.213 1.00 10.28 C ATOM 292 CG GLU A 18 11.004 -4.155 -8.879 1.00 12.65 C ATOM 293 CD GLU A 18 11.537 -3.989 -10.301 1.00 14.15 C ATOM 294 OE1 GLU A 18 10.909 -3.331 -11.162 1.00 14.33 O ATOM 295 OE2 GLU A 18 12.747 -4.344 -10.509 1.00 18.17 O ATOM 0 H GLU A 18 8.327 -2.670 -6.808 1.00 7.29 H new ATOM 0 HA GLU A 18 11.061 -3.618 -6.279 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.021 -2.227 -8.760 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.707 -2.193 -8.283 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.706 -4.744 -8.288 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.064 -4.706 -8.899 1.00 12.65 H new ATOM 302 N PRO A 19 11.656 -1.053 -5.628 1.00 7.24 N ATOM 303 CA PRO A 19 11.727 0.095 -4.665 1.00 7.07 C ATOM 304 C PRO A 19 11.397 1.371 -5.423 1.00 6.65 C ATOM 305 O PRO A 19 11.023 2.329 -4.773 1.00 6.37 O ATOM 306 CB PRO A 19 13.178 0.027 -4.189 1.00 7.61 C ATOM 307 CG PRO A 19 13.949 -0.670 -5.306 1.00 8.16 C ATOM 308 CD PRO A 19 12.927 -1.666 -5.838 1.00 7.49 C ATOM 0 HA PRO A 19 11.033 0.065 -3.825 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.576 1.025 -4.003 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.257 -0.527 -3.254 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.271 0.031 -6.076 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.844 -1.167 -4.933 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.094 -1.873 -6.895 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.996 -2.618 -5.312 1.00 7.49 H new ATOM 316 N SER A 20 11.498 1.374 -6.784 1.00 6.80 N ATOM 317 CA SER A 20 11.224 2.600 -7.549 1.00 6.28 C ATOM 318 C SER A 20 9.713 2.767 -7.860 1.00 8.45 C ATOM 319 O SER A 20 9.234 3.804 -8.323 1.00 7.26 O ATOM 320 CB SER A 20 12.026 2.594 -8.883 1.00 8.57 C ATOM 321 OG SER A 20 13.417 2.298 -8.647 1.00 11.13 O ATOM 0 H SER A 20 11.759 0.564 -7.347 1.00 6.80 H new ATOM 0 HA SER A 20 11.538 3.441 -6.930 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.603 1.854 -9.563 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.934 3.564 -9.371 1.00 8.57 H new ATOM 0 HG SER A 20 13.901 2.298 -9.499 1.00 11.13 H new ATOM 327 N ASP A 21 8.911 1.614 -7.666 1.00 7.50 N ATOM 328 CA ASP A 21 7.488 1.614 -7.834 1.00 7.70 C ATOM 329 C ASP A 21 6.802 2.609 -6.903 1.00 7.08 C ATOM 330 O ASP A 21 7.204 2.797 -5.761 1.00 8.11 O ATOM 331 CB ASP A 21 7.004 0.210 -7.433 1.00 11.00 C ATOM 332 CG ASP A 21 7.309 -0.825 -8.421 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.694 -0.479 -9.557 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.040 -2.026 -8.119 1.00 14.36 O ATOM 0 H ASP A 21 9.292 0.708 -7.394 1.00 7.50 H new ATOM 0 HA ASP A 21 7.250 1.885 -8.863 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.460 -0.063 -6.482 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.926 0.240 -7.273 1.00 11.00 H new ATOM 339 N THR A 22 5.747 3.314 -7.309 1.00 5.37 N ATOM 340 CA THR A 22 5.046 4.272 -6.476 1.00 6.01 C ATOM 341 C THR A 22 3.917 3.602 -5.682 1.00 8.01 C ATOM 342 O THR A 22 3.379 2.517 -5.998 1.00 8.11 O ATOM 343 CB THR A 22 4.405 5.309 -7.358 1.00 8.92 C ATOM 344 OG1 THR A 22 3.683 4.761 -8.445 1.00 10.22 O ATOM 345 CG2 THR A 22 5.588 6.050 -8.021 1.00 9.65 C ATOM 0 H THR A 22 5.353 3.229 -8.246 1.00 5.37 H new ATOM 0 HA THR A 22 5.771 4.708 -5.789 1.00 6.01 H new ATOM 0 HB THR A 22 3.725 5.904 -6.749 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.291 5.486 -8.976 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.206 6.827 -8.683 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.210 6.505 -7.250 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.184 5.342 -8.598 1.00 9.65 H new ATOM 353 N ILE A 23 3.433 4.430 -4.704 1.00 8.32 N ATOM 354 CA ILE A 23 2.286 4.071 -3.840 1.00 9.92 C ATOM 355 C ILE A 23 1.044 3.721 -4.658 1.00 10.01 C ATOM 356 O ILE A 23 0.366 2.691 -4.417 1.00 8.71 O ATOM 357 CB ILE A 23 2.070 5.111 -2.780 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.263 5.294 -1.804 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.725 4.845 -1.999 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.753 3.988 -1.174 1.00 12.30 C ATOM 0 H ILE A 23 3.828 5.349 -4.503 1.00 8.32 H new ATOM 0 HA ILE A 23 2.523 3.152 -3.303 1.00 9.92 H new ATOM 0 HB ILE A 23 1.993 6.059 -3.312 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.090 5.761 -2.339 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.969 5.981 -1.011 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.590 5.611 -1.236 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.113 4.875 -2.696 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.767 3.864 -1.525 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.588 4.197 -0.505 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.941 3.529 -0.609 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.080 3.306 -1.959 1.00 12.30 H new ATOM 372 N GLU A 24 0.793 4.542 -5.690 1.00 9.54 N ATOM 373 CA GLU A 24 -0.175 4.354 -6.780 1.00 11.81 C ATOM 374 C GLU A 24 -0.028 2.956 -7.518 1.00 11.14 C ATOM 375 O GLU A 24 -0.968 2.215 -7.726 1.00 10.62 O ATOM 376 CB GLU A 24 0.114 5.440 -7.811 1.00 19.24 C ATOM 377 CG GLU A 24 -1.053 5.562 -8.887 1.00 27.76 C ATOM 378 CD GLU A 24 -0.718 6.472 -10.086 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.216 5.961 -11.121 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.067 7.646 -9.958 1.00 34.80 O ATOM 0 H GLU A 24 1.301 5.421 -5.791 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.178 4.397 -6.354 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.242 6.397 -7.305 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.053 5.219 -8.318 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.295 4.566 -9.258 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.947 5.944 -8.394 1.00 27.76 H new ATOM 387 N ASN A 25 1.244 2.585 -7.826 1.00 9.43 N ATOM 388 CA ASN A 25 1.595 1.255 -8.311 1.00 10.96 C ATOM 389 C ASN A 25 1.266 0.042 -7.420 1.00 9.68 C ATOM 390 O ASN A 25 0.931 -1.002 -7.912 1.00 9.33 O ATOM 391 CB ASN A 25 3.095 1.232 -8.806 1.00 16.78 C ATOM 392 CG ASN A 25 3.348 0.300 -9.909 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.597 -0.886 -9.838 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.257 0.949 -11.087 1.00 24.70 N ATOM 0 H ASN A 25 2.044 3.212 -7.739 1.00 9.43 H new ATOM 0 HA ASN A 25 0.906 1.102 -9.142 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.377 2.236 -9.121 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.739 0.968 -7.967 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.399 0.442 -11.961 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.046 1.947 -11.105 1.00 24.70 H new ATOM 401 N VAL A 26 1.320 0.251 -6.099 1.00 6.52 N ATOM 402 CA VAL A 26 1.035 -0.780 -5.097 1.00 5.53 C ATOM 403 C VAL A 26 -0.468 -0.948 -4.954 1.00 4.42 C ATOM 404 O VAL A 26 -1.010 -2.035 -4.964 1.00 3.40 O ATOM 405 CB VAL A 26 1.760 -0.306 -3.874 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.280 -1.082 -2.621 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.312 -0.407 -3.966 1.00 8.12 C ATOM 0 H VAL A 26 1.566 1.153 -5.692 1.00 6.52 H new ATOM 0 HA VAL A 26 1.379 -1.784 -5.347 1.00 5.53 H new ATOM 0 HB VAL A 26 1.516 0.753 -3.794 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.818 -0.724 -1.743 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.211 -0.922 -2.482 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.473 -2.146 -2.756 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.756 -0.043 -3.039 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.600 -1.446 -4.123 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.667 0.198 -4.800 1.00 8.12 H new ATOM 417 N LYS A 27 -1.202 0.195 -4.986 1.00 2.64 N ATOM 418 CA LYS A 27 -2.599 0.187 -5.079 1.00 4.14 C ATOM 419 C LYS A 27 -3.253 -0.419 -6.306 1.00 5.58 C ATOM 420 O LYS A 27 -4.174 -1.264 -6.144 1.00 4.11 O ATOM 421 CB LYS A 27 -3.181 1.659 -4.861 1.00 3.97 C ATOM 422 CG LYS A 27 -2.972 2.274 -3.458 1.00 7.45 C ATOM 423 CD LYS A 27 -3.587 3.701 -3.413 1.00 9.02 C ATOM 424 CE LYS A 27 -3.521 4.494 -2.093 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.378 5.724 -2.340 1.00 15.47 N ATOM 0 H LYS A 27 -0.793 1.129 -4.945 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.865 -0.507 -4.282 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.724 2.321 -5.597 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.250 1.639 -5.071 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.438 1.643 -2.701 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.908 2.319 -3.225 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.095 4.297 -4.182 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.636 3.618 -3.697 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.903 3.906 -1.258 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.495 4.769 -1.847 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.152 6.453 -1.633 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.187 6.095 -3.293 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -5.383 5.468 -2.263 1.00 15.47 H new ATOM 439 N ALA A 28 -2.648 -0.173 -7.508 1.00 6.61 N ATOM 440 CA ALA A 28 -2.894 -0.969 -8.667 1.00 7.74 C ATOM 441 C ALA A 28 -2.548 -2.489 -8.488 1.00 9.17 C ATOM 442 O ALA A 28 -3.280 -3.334 -9.004 1.00 11.45 O ATOM 443 CB ALA A 28 -2.143 -0.426 -9.899 1.00 7.68 C ATOM 0 H ALA A 28 -1.986 0.588 -7.660 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.970 -0.897 -8.822 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.355 -1.058 -10.762 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.472 0.593 -10.106 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.071 -0.428 -9.702 1.00 7.68 H new ATOM 449 N LYS A 29 -1.432 -2.914 -7.869 1.00 8.96 N ATOM 450 CA LYS A 29 -1.135 -4.320 -7.619 1.00 7.90 C ATOM 451 C LYS A 29 -2.097 -5.045 -6.596 1.00 6.92 C ATOM 452 O LYS A 29 -2.476 -6.202 -6.712 1.00 6.87 O ATOM 453 CB LYS A 29 0.336 -4.522 -7.229 1.00 10.28 C ATOM 454 CG LYS A 29 0.930 -5.993 -7.510 1.00 14.94 C ATOM 455 CD LYS A 29 2.491 -5.924 -7.589 1.00 19.69 C ATOM 456 CE LYS A 29 2.913 -5.528 -8.960 1.00 22.63 C ATOM 457 NZ LYS A 29 4.354 -5.504 -9.069 1.00 24.98 N ATOM 0 H LYS A 29 -0.710 -2.279 -7.529 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.326 -4.809 -8.574 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.941 -3.795 -7.771 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.446 -4.301 -6.167 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.626 -6.676 -6.717 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.526 -6.387 -8.442 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.869 -5.206 -6.861 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.920 -6.893 -7.333 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.501 -6.227 -9.688 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.510 -4.544 -9.199 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.642 -5.956 -9.960 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.687 -4.519 -9.057 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.771 -6.020 -8.268 1.00 24.98 H new ATOM 471 N ILE A 30 -2.575 -4.236 -5.606 1.00 4.57 N ATOM 472 CA ILE A 30 -3.613 -4.552 -4.658 1.00 5.58 C ATOM 473 C ILE A 30 -4.963 -4.713 -5.369 1.00 7.26 C ATOM 474 O ILE A 30 -5.677 -5.654 -5.140 1.00 9.46 O ATOM 475 CB ILE A 30 -3.721 -3.554 -3.493 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.511 -3.721 -2.653 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.034 -3.756 -2.704 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.270 -2.490 -1.749 1.00 2.00 C ATOM 0 H ILE A 30 -2.204 -3.296 -5.465 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.327 -5.502 -4.205 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.763 -2.529 -3.860 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.617 -4.612 -2.034 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.643 -3.879 -3.293 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.082 -3.036 -1.887 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.885 -3.607 -3.369 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.063 -4.767 -2.299 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.375 -2.649 -1.148 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.138 -1.603 -2.369 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.128 -2.348 -1.091 1.00 2.00 H new ATOM 490 N GLN A 31 -5.248 -3.896 -6.311 1.00 7.06 N ATOM 491 CA GLN A 31 -6.386 -4.062 -7.210 1.00 8.67 C ATOM 492 C GLN A 31 -6.313 -5.338 -8.043 1.00 10.90 C ATOM 493 O GLN A 31 -7.329 -6.033 -8.195 1.00 9.63 O ATOM 494 CB GLN A 31 -6.535 -2.862 -8.133 1.00 9.12 C ATOM 495 CG GLN A 31 -7.903 -2.880 -8.861 1.00 10.76 C ATOM 496 CD GLN A 31 -8.257 -1.528 -9.477 1.00 13.78 C ATOM 497 OE1 GLN A 31 -7.282 -0.814 -9.806 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.552 -1.194 -9.512 1.00 14.76 N ATOM 0 H GLN A 31 -4.696 -3.061 -6.505 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.262 -4.141 -6.566 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.439 -1.942 -7.556 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.729 -2.863 -8.867 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.884 -3.638 -9.644 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.682 -3.169 -8.156 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.260 -1.866 -9.217 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.831 -0.267 -9.834 1.00 14.76 H new ATOM 507 N ASP A 32 -5.104 -5.689 -8.558 1.00 10.93 N ATOM 508 CA ASP A 32 -4.887 -6.964 -9.247 1.00 14.01 C ATOM 509 C ASP A 32 -5.047 -8.166 -8.338 1.00 14.04 C ATOM 510 O ASP A 32 -5.585 -9.163 -8.832 1.00 13.39 O ATOM 511 CB ASP A 32 -3.477 -6.836 -9.917 1.00 18.01 C ATOM 512 CG ASP A 32 -3.175 -7.593 -11.188 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.913 -7.336 -12.126 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.404 -8.559 -11.051 1.00 26.29 O ATOM 0 H ASP A 32 -4.274 -5.099 -8.503 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.649 -7.151 -10.004 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.310 -5.779 -10.122 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.737 -7.138 -9.176 1.00 18.01 H new ATOM 519 N LYS A 33 -4.578 -8.133 -7.023 1.00 14.22 N ATOM 520 CA LYS A 33 -4.788 -9.117 -5.997 1.00 14.00 C ATOM 521 C LYS A 33 -6.275 -9.322 -5.506 1.00 12.37 C ATOM 522 O LYS A 33 -6.803 -10.415 -5.426 1.00 12.17 O ATOM 523 CB LYS A 33 -3.852 -8.916 -4.785 1.00 18.62 C ATOM 524 CG LYS A 33 -2.370 -9.207 -5.168 1.00 24.00 C ATOM 525 CD LYS A 33 -1.905 -10.680 -4.839 1.00 27.61 C ATOM 526 CE LYS A 33 -0.356 -10.847 -5.052 1.00 27.64 C ATOM 527 NZ LYS A 33 0.005 -12.150 -4.485 1.00 30.06 N ATOM 0 H LYS A 33 -4.017 -7.351 -6.686 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.532 -10.043 -6.513 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.942 -7.894 -4.417 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.157 -9.575 -3.972 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.237 -9.023 -6.234 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.724 -8.505 -4.641 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.162 -10.924 -3.808 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.441 -11.384 -5.476 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.103 -10.802 -6.111 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.192 -10.044 -4.559 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.675 -12.014 -3.702 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.850 -12.623 -4.130 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 0.446 -12.738 -5.220 1.00 30.06 H new ATOM 541 N GLU A 34 -6.908 -8.191 -5.097 1.00 10.11 N ATOM 542 CA GLU A 34 -7.969 -8.285 -4.156 1.00 10.07 C ATOM 543 C GLU A 34 -9.248 -7.706 -4.686 1.00 9.32 C ATOM 544 O GLU A 34 -10.368 -7.944 -4.249 1.00 11.61 O ATOM 545 CB GLU A 34 -7.602 -7.434 -2.932 1.00 14.77 C ATOM 546 CG GLU A 34 -6.670 -8.092 -1.921 1.00 18.75 C ATOM 547 CD GLU A 34 -7.377 -9.150 -1.134 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.333 -8.796 -0.339 1.00 21.95 O ATOM 549 OE2 GLU A 34 -7.136 -10.396 -1.232 1.00 25.19 O ATOM 0 H GLU A 34 -6.685 -7.247 -5.413 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.109 -9.341 -3.927 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.136 -6.512 -3.281 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.522 -7.152 -2.420 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.819 -8.531 -2.441 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.274 -7.336 -1.243 1.00 18.75 H new ATOM 556 N GLY A 35 -9.071 -6.882 -5.736 1.00 7.22 N ATOM 557 CA GLY A 35 -10.189 -6.179 -6.379 1.00 6.29 C ATOM 558 C GLY A 35 -10.715 -4.897 -5.794 1.00 6.93 C ATOM 559 O GLY A 35 -11.712 -4.366 -6.204 1.00 7.41 O ATOM 0 H GLY A 35 -8.161 -6.689 -6.155 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.889 -5.967 -7.405 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.024 -6.878 -6.429 1.00 6.29 H new ATOM 563 N ILE A 36 -9.969 -4.328 -4.906 1.00 5.86 N ATOM 564 CA ILE A 36 -10.312 -3.127 -4.221 1.00 6.07 C ATOM 565 C ILE A 36 -9.721 -2.019 -5.137 1.00 6.36 C ATOM 566 O ILE A 36 -8.578 -2.067 -5.514 1.00 6.18 O ATOM 567 CB ILE A 36 -9.691 -3.015 -2.828 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.031 -4.315 -2.038 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.159 -1.740 -2.089 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.179 -4.559 -0.799 1.00 9.49 C ATOM 0 H ILE A 36 -9.063 -4.705 -4.626 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.388 -3.067 -4.054 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.609 -2.918 -2.914 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.078 -4.276 -1.738 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.923 -5.168 -2.708 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.695 -1.699 -1.104 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.870 -0.860 -2.663 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.243 -1.761 -1.978 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.492 -5.486 -0.319 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.131 -4.635 -1.088 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.304 -3.730 -0.102 1.00 9.49 H new ATOM 582 N PRO A 37 -10.377 -0.859 -5.429 1.00 8.65 N ATOM 583 CA PRO A 37 -9.725 0.171 -6.249 1.00 9.18 C ATOM 584 C PRO A 37 -8.754 1.062 -5.442 1.00 9.85 C ATOM 585 O PRO A 37 -8.980 1.226 -4.228 1.00 8.51 O ATOM 586 CB PRO A 37 -10.933 0.880 -6.803 1.00 11.42 C ATOM 587 CG PRO A 37 -11.999 -0.224 -6.904 1.00 9.27 C ATOM 588 CD PRO A 37 -11.829 -0.950 -5.588 1.00 8.33 C ATOM 0 HA PRO A 37 -9.055 -0.205 -7.022 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.257 1.689 -6.148 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.724 1.323 -7.777 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.002 0.187 -7.016 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -11.826 -0.880 -7.757 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.368 -0.466 -4.773 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.179 -1.981 -5.634 1.00 8.33 H new ATOM 596 N PRO A 38 -7.746 1.714 -6.087 1.00 8.71 N ATOM 597 CA PRO A 38 -6.843 2.602 -5.346 1.00 9.08 C ATOM 598 C PRO A 38 -7.532 3.792 -4.666 1.00 9.28 C ATOM 599 O PRO A 38 -6.898 4.417 -3.798 1.00 6.50 O ATOM 600 CB PRO A 38 -6.035 3.223 -6.497 1.00 10.31 C ATOM 601 CG PRO A 38 -5.992 2.231 -7.637 1.00 10.81 C ATOM 602 CD PRO A 38 -7.199 1.287 -7.377 1.00 12.00 C ATOM 0 HA PRO A 38 -6.323 2.048 -4.564 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.494 4.156 -6.823 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.025 3.464 -6.165 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.080 2.731 -8.602 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.052 1.679 -7.648 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.944 1.372 -8.169 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -6.884 0.244 -7.346 1.00 12.00 H new ATOM 610 N ASP A 39 -8.824 4.200 -4.958 1.00 11.20 N ATOM 611 CA ASP A 39 -9.459 5.318 -4.215 1.00 14.96 C ATOM 612 C ASP A 39 -10.227 4.744 -3.048 1.00 13.99 C ATOM 613 O ASP A 39 -10.616 5.497 -2.160 1.00 13.75 O ATOM 614 CB ASP A 39 -10.294 6.097 -5.191 1.00 24.16 C ATOM 615 CG ASP A 39 -9.178 6.866 -5.978 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.304 7.558 -5.358 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.116 6.714 -7.245 1.00 34.22 O ATOM 0 H ASP A 39 -9.411 3.778 -5.678 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.737 6.014 -3.787 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.886 5.450 -5.838 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.990 6.773 -4.694 1.00 24.16 H new ATOM 622 N GLN A 40 -10.373 3.442 -2.903 1.00 11.60 N ATOM 623 CA GLN A 40 -11.033 2.783 -1.721 1.00 10.76 C ATOM 624 C GLN A 40 -9.931 2.292 -0.799 1.00 8.01 C ATOM 625 O GLN A 40 -10.139 1.528 0.105 1.00 8.96 O ATOM 626 CB GLN A 40 -11.963 1.663 -2.171 1.00 11.14 C ATOM 627 CG GLN A 40 -13.162 2.263 -2.889 1.00 14.85 C ATOM 628 CD GLN A 40 -14.271 1.195 -3.187 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.654 0.270 -2.446 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.802 1.355 -4.399 1.00 18.16 N ATOM 0 H GLN A 40 -10.041 2.774 -3.598 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.664 3.490 -1.182 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.433 0.979 -2.834 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.294 1.081 -1.310 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.585 3.063 -2.281 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.834 2.714 -3.825 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.483 2.115 -4.999 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.528 0.717 -4.726 1.00 18.16 H new ATOM 639 N GLN A 41 -8.696 2.831 -0.932 1.00 6.52 N ATOM 640 CA GLN A 41 -7.486 2.395 -0.242 1.00 3.87 C ATOM 641 C GLN A 41 -6.779 3.507 0.419 1.00 4.79 C ATOM 642 O GLN A 41 -6.406 4.483 -0.252 1.00 6.34 O ATOM 643 CB GLN A 41 -6.458 1.704 -1.161 1.00 4.20 C ATOM 644 CG GLN A 41 -6.928 0.275 -1.630 1.00 3.20 C ATOM 645 CD GLN A 41 -5.969 -0.292 -2.658 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.777 -0.266 -2.519 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.518 -0.822 -3.779 1.00 7.13 N ATOM 0 H GLN A 41 -8.521 3.619 -1.556 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.861 1.680 0.491 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.281 2.329 -2.036 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.508 1.615 -0.635 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -6.987 -0.394 -0.772 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.930 0.337 -2.055 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.532 -0.841 -3.891 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.917 -1.202 -4.511 1.00 7.13 H new ATOM 656 N ARG A 42 -6.601 3.411 1.726 1.00 5.73 N ATOM 657 CA ARG A 42 -5.559 4.157 2.497 1.00 6.97 C ATOM 658 C ARG A 42 -4.568 3.211 3.060 1.00 7.15 C ATOM 659 O ARG A 42 -4.875 2.054 3.394 1.00 7.33 O ATOM 660 CB ARG A 42 -6.193 5.052 3.654 1.00 13.23 C ATOM 661 CG ARG A 42 -7.086 6.200 3.080 1.00 21.27 C ATOM 662 CD ARG A 42 -7.325 7.301 4.192 1.00 26.14 C ATOM 663 NE ARG A 42 -8.030 8.538 3.601 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.186 8.976 4.090 1.00 34.32 C ATOM 665 NH1 ARG A 42 -10.053 8.289 4.830 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.506 10.207 3.735 1.00 36.39 N ATOM 0 H ARG A 42 -7.176 2.807 2.314 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.059 4.834 1.804 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.790 4.423 4.314 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.395 5.481 4.260 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.605 6.647 2.210 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -8.041 5.797 2.744 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.929 6.884 4.998 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.371 7.596 4.628 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.600 9.031 2.818 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.857 7.319 5.076 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.914 8.733 5.151 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.882 10.742 3.130 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.377 10.623 4.065 1.00 36.39 H new ATOM 680 N LEU A 43 -3.286 3.648 3.011 1.00 4.65 N ATOM 681 CA LEU A 43 -2.066 2.922 3.308 1.00 3.51 C ATOM 682 C LEU A 43 -1.320 3.532 4.517 1.00 5.56 C ATOM 683 O LEU A 43 -1.230 4.782 4.544 1.00 4.19 O ATOM 684 CB LEU A 43 -1.133 2.747 2.122 1.00 3.74 C ATOM 685 CG LEU A 43 -1.746 2.141 0.773 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.595 1.712 -0.126 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.591 0.964 0.949 1.00 6.41 C ATOM 0 H LEU A 43 -3.081 4.608 2.735 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.395 1.917 3.570 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.704 3.721 1.887 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.311 2.104 2.435 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.370 2.932 0.358 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.992 1.296 -1.052 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.029 2.576 -0.355 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.003 0.957 0.384 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.957 0.630 -0.022 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -2.011 0.166 1.412 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -3.437 1.216 1.588 1.00 6.41 H new ATOM 699 N ILE A 44 -0.661 2.723 5.376 1.00 4.58 N ATOM 700 CA ILE A 44 0.097 3.195 6.519 1.00 5.55 C ATOM 701 C ILE A 44 1.277 2.304 6.647 1.00 5.46 C ATOM 702 O ILE A 44 1.257 1.080 6.484 1.00 6.04 O ATOM 703 CB ILE A 44 -0.665 3.102 7.853 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.051 3.747 7.763 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.142 3.988 8.875 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.943 3.594 9.022 1.00 13.90 C ATOM 0 H ILE A 44 -0.651 1.708 5.278 1.00 4.58 H new ATOM 0 HA ILE A 44 0.334 4.244 6.343 1.00 5.55 H new ATOM 0 HB ILE A 44 -0.768 2.053 8.131 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.925 4.810 7.556 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.578 3.316 6.912 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.351 3.963 9.847 1.00 7.39 H new ATOM 0 HG22 ILE A 44 1.156 3.599 8.972 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.181 5.016 8.514 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.900 4.086 8.852 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.110 2.536 9.223 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.447 4.052 9.877 1.00 13.90 H new ATOM 718 N PHE A 45 2.440 2.952 6.831 1.00 6.75 N ATOM 719 CA PHE A 45 3.663 2.268 7.110 1.00 4.70 C ATOM 720 C PHE A 45 4.387 2.968 8.287 1.00 6.34 C ATOM 721 O PHE A 45 4.682 4.150 8.311 1.00 5.45 O ATOM 722 CB PHE A 45 4.556 2.259 5.805 1.00 5.51 C ATOM 723 CG PHE A 45 5.878 1.635 6.122 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.094 0.261 6.362 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.068 2.508 6.028 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.383 -0.256 6.266 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.307 1.930 5.963 1.00 6.64 C ATOM 728 CZ PHE A 45 8.482 0.541 6.094 1.00 6.84 C ATOM 0 H PHE A 45 2.533 3.967 6.785 1.00 6.75 H new ATOM 0 HA PHE A 45 3.466 1.236 7.401 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.057 1.702 5.012 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.698 3.276 5.439 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.266 -0.384 6.618 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.961 3.583 6.011 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.521 -1.325 6.330 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.172 2.557 5.807 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.471 0.109 6.059 1.00 6.84 H new ATOM 738 N ALA A 46 4.724 2.162 9.333 1.00 6.53 N ATOM 739 CA ALA A 46 5.441 2.683 10.485 1.00 7.15 C ATOM 740 C ALA A 46 4.799 4.010 11.050 1.00 9.00 C ATOM 741 O ALA A 46 5.521 4.978 11.382 1.00 11.15 O ATOM 742 CB ALA A 46 6.908 2.859 10.205 1.00 8.99 C ATOM 0 H ALA A 46 4.505 1.167 9.383 1.00 6.53 H new ATOM 0 HA ALA A 46 5.346 1.929 11.266 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.404 3.250 11.093 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.346 1.897 9.939 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.039 3.558 9.379 1.00 8.99 H new ATOM 748 N GLY A 47 3.442 4.121 11.058 1.00 9.35 N ATOM 749 CA GLY A 47 2.759 5.330 11.460 1.00 11.68 C ATOM 750 C GLY A 47 2.715 6.489 10.495 1.00 11.14 C ATOM 751 O GLY A 47 2.311 7.547 10.942 1.00 13.93 O ATOM 0 H GLY A 47 2.815 3.365 10.783 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.731 5.064 11.705 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.224 5.683 12.380 1.00 11.68 H new ATOM 755 N LYS A 48 3.050 6.249 9.158 1.00 10.47 N ATOM 756 CA LYS A 48 3.082 7.297 8.178 1.00 8.82 C ATOM 757 C LYS A 48 1.937 6.976 7.225 1.00 7.68 C ATOM 758 O LYS A 48 1.896 5.838 6.633 1.00 6.47 O ATOM 759 CB LYS A 48 4.278 7.302 7.281 1.00 9.74 C ATOM 760 CG LYS A 48 5.581 7.900 7.825 1.00 14.14 C ATOM 761 CD LYS A 48 6.326 6.979 8.839 1.00 16.32 C ATOM 762 CE LYS A 48 7.503 7.638 9.530 1.00 20.04 C ATOM 763 NZ LYS A 48 8.714 7.578 8.701 1.00 23.92 N ATOM 0 H LYS A 48 3.291 5.328 8.792 1.00 10.47 H new ATOM 0 HA LYS A 48 3.056 8.240 8.724 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.480 6.272 6.987 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.014 7.846 6.374 1.00 9.74 H new ATOM 0 HG2 LYS A 48 6.246 8.116 6.989 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.358 8.851 8.309 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.617 6.643 9.596 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.678 6.091 8.315 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.262 8.678 9.750 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.689 7.145 10.484 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 9.501 8.037 9.202 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.957 6.584 8.512 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.543 8.070 7.801 1.00 23.92 H new ATOM 777 N GLN A 49 1.053 7.962 7.009 1.00 8.89 N ATOM 778 CA GLN A 49 0.257 7.906 5.807 1.00 7.18 C ATOM 779 C GLN A 49 1.018 8.025 4.461 1.00 8.23 C ATOM 780 O GLN A 49 1.888 8.822 4.269 1.00 9.70 O ATOM 781 CB GLN A 49 -1.114 8.705 5.803 1.00 11.67 C ATOM 782 CG GLN A 49 -1.913 8.613 7.174 1.00 15.82 C ATOM 783 CD GLN A 49 -3.057 9.608 7.109 1.00 20.21 C ATOM 784 OE1 GLN A 49 -2.823 10.805 7.004 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.277 9.075 7.111 1.00 20.67 N ATOM 0 H GLN A 49 0.887 8.760 7.622 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.044 6.860 5.870 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.913 9.753 5.580 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.744 8.323 5.000 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.293 7.603 7.328 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.257 8.839 8.015 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.392 8.066 7.203 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.096 9.676 7.021 1.00 20.67 H new ATOM 794 N LEU A 50 0.687 7.176 3.538 1.00 6.51 N ATOM 795 CA LEU A 50 1.387 7.091 2.267 1.00 7.41 C ATOM 796 C LEU A 50 0.722 7.772 1.149 1.00 8.27 C ATOM 797 O LEU A 50 -0.392 7.436 0.833 1.00 8.34 O ATOM 798 CB LEU A 50 1.695 5.581 1.980 1.00 7.13 C ATOM 799 CG LEU A 50 2.357 4.902 3.195 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.588 3.434 2.815 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.707 5.426 3.529 1.00 9.11 C ATOM 0 H LEU A 50 -0.081 6.512 3.634 1.00 6.51 H new ATOM 0 HA LEU A 50 2.320 7.648 2.356 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.771 5.061 1.729 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.351 5.500 1.114 1.00 7.13 H new ATOM 0 HG LEU A 50 1.697 5.074 4.045 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.057 2.912 3.649 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.632 2.963 2.583 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.239 3.382 1.942 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.100 4.894 4.395 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.374 5.280 2.680 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.638 6.490 3.757 1.00 9.11 H new ATOM 813 N GLU A 51 1.314 8.825 0.496 1.00 9.43 N ATOM 814 CA GLU A 51 0.723 9.420 -0.680 1.00 11.90 C ATOM 815 C GLU A 51 1.074 8.667 -1.952 1.00 11.49 C ATOM 816 O GLU A 51 2.258 8.372 -2.178 1.00 9.88 O ATOM 817 CB GLU A 51 1.052 10.929 -0.684 1.00 16.56 C ATOM 818 CG GLU A 51 0.379 11.680 0.484 1.00 26.06 C ATOM 819 CD GLU A 51 -1.034 11.829 0.314 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.469 12.156 -0.775 1.00 33.44 O ATOM 821 OE2 GLU A 51 -1.780 11.572 1.315 1.00 32.13 O ATOM 0 H GLU A 51 2.193 9.253 0.787 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.363 9.332 -0.647 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.132 11.063 -0.624 1.00 16.56 H new ATOM 0 HB3 GLU A 51 0.728 11.366 -1.628 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.573 11.144 1.413 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.833 12.666 0.584 1.00 26.06 H new ATOM 828 N ASP A 52 0.028 8.465 -2.877 1.00 12.71 N ATOM 829 CA ASP A 52 0.082 7.826 -4.215 1.00 16.56 C ATOM 830 C ASP A 52 1.236 8.114 -5.160 1.00 15.83 C ATOM 831 O ASP A 52 1.792 7.213 -5.705 1.00 17.21 O ATOM 832 CB ASP A 52 -1.200 8.203 -4.946 1.00 21.05 C ATOM 833 CG ASP A 52 -2.429 7.826 -4.126 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.622 8.490 -3.101 1.00 28.37 O ATOM 835 OD2 ASP A 52 -3.250 6.932 -4.505 1.00 25.82 O ATOM 0 H ASP A 52 -0.918 8.777 -2.659 1.00 12.71 H new ATOM 0 HA ASP A 52 0.226 6.773 -3.972 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.207 9.274 -5.146 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.234 7.698 -5.911 1.00 21.05 H new ATOM 840 N GLY A 53 1.632 9.404 -5.354 1.00 15.00 N ATOM 841 CA GLY A 53 2.730 9.696 -6.331 1.00 11.77 C ATOM 842 C GLY A 53 4.137 9.478 -5.849 1.00 11.10 C ATOM 843 O GLY A 53 5.071 9.763 -6.605 1.00 11.25 O ATOM 0 H GLY A 53 1.238 10.217 -4.880 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.573 9.077 -7.214 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.636 10.734 -6.648 1.00 11.77 H new ATOM 847 N ARG A 54 4.321 9.028 -4.611 1.00 8.53 N ATOM 848 CA ARG A 54 5.632 8.840 -3.978 1.00 9.05 C ATOM 849 C ARG A 54 6.093 7.444 -4.383 1.00 8.96 C ATOM 850 O ARG A 54 5.231 6.545 -4.481 1.00 11.60 O ATOM 851 CB ARG A 54 5.528 8.972 -2.475 1.00 7.97 C ATOM 852 CG ARG A 54 4.835 10.273 -2.033 1.00 9.62 C ATOM 853 CD ARG A 54 5.607 11.617 -2.170 1.00 12.20 C ATOM 854 NE ARG A 54 4.705 12.672 -1.578 1.00 18.23 N ATOM 855 CZ ARG A 54 4.770 13.029 -0.349 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.618 12.486 0.526 1.00 25.50 N ATOM 857 NH2 ARG A 54 3.935 13.948 0.188 1.00 23.38 N ATOM 0 H ARG A 54 3.544 8.776 -4.000 1.00 8.53 H new ATOM 0 HA ARG A 54 6.346 9.598 -4.300 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.976 8.120 -2.078 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.528 8.934 -2.042 1.00 7.97 H new ATOM 0 HG2 ARG A 54 3.910 10.364 -2.602 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.555 10.158 -0.986 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.560 11.576 -1.642 1.00 12.20 H new ATOM 0 HD3 ARG A 54 5.830 11.835 -3.214 1.00 12.20 H new ATOM 0 HE ARG A 54 4.015 13.120 -2.181 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.256 11.749 0.227 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.628 12.808 1.494 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.218 14.386 -0.391 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.022 14.203 1.172 1.00 23.38 H new ATOM 871 N THR A 55 7.439 7.169 -4.484 1.00 9.05 N ATOM 872 CA THR A 55 8.091 5.892 -4.698 1.00 9.03 C ATOM 873 C THR A 55 8.277 5.200 -3.351 1.00 8.15 C ATOM 874 O THR A 55 8.390 5.854 -2.291 1.00 5.91 O ATOM 875 CB THR A 55 9.432 5.911 -5.529 1.00 11.15 C ATOM 876 OG1 THR A 55 10.446 6.601 -4.735 1.00 11.95 O ATOM 877 CG2 THR A 55 9.281 6.748 -6.798 1.00 11.71 C ATOM 0 H THR A 55 8.124 7.921 -4.407 1.00 9.05 H new ATOM 0 HA THR A 55 7.420 5.327 -5.345 1.00 9.03 H new ATOM 0 HB THR A 55 9.692 4.881 -5.774 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.168 5.977 -4.512 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.220 6.743 -7.351 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.492 6.326 -7.420 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.023 7.772 -6.530 1.00 11.71 H new ATOM 885 N LEU A 56 8.285 3.837 -3.339 1.00 6.91 N ATOM 886 CA LEU A 56 8.525 3.112 -2.127 1.00 8.29 C ATOM 887 C LEU A 56 9.857 3.410 -1.436 1.00 8.05 C ATOM 888 O LEU A 56 9.932 3.456 -0.196 1.00 10.17 O ATOM 889 CB LEU A 56 8.417 1.657 -2.613 1.00 6.60 C ATOM 890 CG LEU A 56 6.909 1.206 -2.709 1.00 7.73 C ATOM 891 CD1 LEU A 56 6.961 -0.269 -3.227 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.156 1.150 -1.404 1.00 8.64 C ATOM 0 H LEU A 56 8.127 3.254 -4.161 1.00 6.91 H new ATOM 0 HA LEU A 56 7.823 3.384 -1.339 1.00 8.29 H new ATOM 0 HB2 LEU A 56 8.893 1.559 -3.589 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.954 1.000 -1.929 1.00 6.60 H new ATOM 0 HG LEU A 56 6.394 1.935 -3.334 1.00 7.73 H new ATOM 0 HD11 LEU A 56 5.947 -0.657 -3.321 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.452 -0.296 -4.200 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.521 -0.883 -2.521 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.131 0.829 -1.589 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.643 0.442 -0.733 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.149 2.139 -0.945 1.00 8.64 H new ATOM 904 N SER A 57 10.935 3.674 -2.180 1.00 8.92 N ATOM 905 CA SER A 57 12.200 4.189 -1.672 1.00 9.00 C ATOM 906 C SER A 57 12.220 5.514 -0.905 1.00 9.44 C ATOM 907 O SER A 57 13.176 5.749 -0.164 1.00 10.91 O ATOM 908 CB SER A 57 13.227 4.338 -2.922 1.00 10.32 C ATOM 909 OG SER A 57 12.621 5.058 -3.966 1.00 13.59 O ATOM 0 H SER A 57 10.946 3.528 -3.189 1.00 8.92 H new ATOM 0 HA SER A 57 12.472 3.451 -0.918 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.134 4.848 -2.598 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.525 3.351 -3.276 1.00 10.32 H new ATOM 0 HG SER A 57 13.250 5.143 -4.713 1.00 13.59 H new ATOM 915 N ASP A 58 11.160 6.310 -1.006 1.00 9.11 N ATOM 916 CA ASP A 58 10.985 7.588 -0.392 1.00 7.91 C ATOM 917 C ASP A 58 10.228 7.524 0.890 1.00 9.12 C ATOM 918 O ASP A 58 10.044 8.504 1.569 1.00 8.61 O ATOM 919 CB ASP A 58 10.232 8.405 -1.548 1.00 8.41 C ATOM 920 CG ASP A 58 10.440 9.898 -1.366 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.569 10.435 -1.340 1.00 11.70 O ATOM 922 OD2 ASP A 58 9.410 10.542 -1.238 1.00 10.05 O ATOM 0 H ASP A 58 10.350 6.043 -1.565 1.00 9.11 H new ATOM 0 HA ASP A 58 11.918 8.055 -0.075 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.607 8.096 -2.524 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.167 8.175 -1.529 1.00 8.41 H new ATOM 927 N TYR A 59 9.697 6.319 1.266 1.00 7.97 N ATOM 928 CA TYR A 59 8.996 6.184 2.577 1.00 8.45 C ATOM 929 C TYR A 59 9.804 5.129 3.314 1.00 10.98 C ATOM 930 O TYR A 59 9.398 4.647 4.370 1.00 12.95 O ATOM 931 CB TYR A 59 7.587 5.685 2.201 1.00 7.94 C ATOM 932 CG TYR A 59 6.664 6.859 2.069 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.351 7.621 3.195 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.949 6.963 0.942 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.443 8.704 2.999 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.910 7.917 0.799 1.00 6.52 C ATOM 937 CZ TYR A 59 4.717 8.835 1.838 1.00 6.76 C ATOM 938 OH TYR A 59 3.841 9.895 1.719 1.00 7.63 O ATOM 0 H TYR A 59 9.738 5.467 0.707 1.00 7.97 H new ATOM 0 HA TYR A 59 8.912 7.080 3.192 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.624 5.129 1.264 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.216 5.000 2.963 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.774 7.403 4.164 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.170 6.301 0.118 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.323 9.439 3.781 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.287 7.935 -0.083 1.00 6.52 H new ATOM 0 HH TYR A 59 4.173 10.654 2.242 1.00 7.63 H new ATOM 948 N ASN A 60 11.012 4.815 2.715 1.00 12.38 N ATOM 949 CA ASN A 60 11.977 3.799 3.274 1.00 13.94 C ATOM 950 C ASN A 60 11.403 2.404 3.323 1.00 14.16 C ATOM 951 O ASN A 60 11.601 1.665 4.304 1.00 14.26 O ATOM 952 CB ASN A 60 12.639 4.292 4.613 1.00 19.23 C ATOM 953 CG ASN A 60 13.946 3.646 4.877 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.392 2.695 4.253 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.732 4.137 5.864 1.00 24.09 N ATOM 0 H ASN A 60 11.334 5.251 1.851 1.00 12.38 H new ATOM 0 HA ASN A 60 12.802 3.713 2.567 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.775 5.373 4.570 1.00 19.23 H new ATOM 0 HB3 ASN A 60 11.963 4.088 5.444 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.641 3.713 6.051 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.415 4.931 6.421 1.00 24.09 H new ATOM 962 N ILE A 61 10.679 1.986 2.291 1.00 11.08 N ATOM 963 CA ILE A 61 9.920 0.785 2.313 1.00 11.78 C ATOM 964 C ILE A 61 10.661 -0.165 1.440 1.00 13.74 C ATOM 965 O ILE A 61 10.724 0.029 0.212 1.00 14.60 O ATOM 966 CB ILE A 61 8.483 0.976 1.837 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.645 1.838 2.739 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.799 -0.419 1.701 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.504 2.388 1.943 1.00 11.42 C ATOM 0 H ILE A 61 10.616 2.496 1.410 1.00 11.08 H new ATOM 0 HA ILE A 61 9.819 0.415 3.333 1.00 11.78 H new ATOM 0 HB ILE A 61 8.546 1.494 0.880 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.273 1.255 3.582 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.245 2.649 3.152 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.772 -0.289 1.361 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.347 -1.024 0.978 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.800 -0.921 2.669 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.884 3.017 2.582 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.891 2.982 1.115 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.904 1.566 1.551 1.00 11.42 H new ATOM 981 N GLN A 62 11.207 -1.249 2.007 1.00 13.97 N ATOM 982 CA GLN A 62 12.128 -2.208 1.392 1.00 15.52 C ATOM 983 C GLN A 62 11.805 -3.664 1.526 1.00 13.94 C ATOM 984 O GLN A 62 10.648 -3.972 1.780 1.00 12.15 O ATOM 985 CB GLN A 62 13.605 -2.018 1.948 1.00 19.53 C ATOM 986 CG GLN A 62 13.722 -2.139 3.500 1.00 26.38 C ATOM 987 CD GLN A 62 15.158 -1.991 4.055 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.903 -2.969 3.966 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.585 -0.746 4.476 1.00 32.71 N ATOM 0 H GLN A 62 11.001 -1.494 2.975 1.00 13.97 H new ATOM 0 HA GLN A 62 12.024 -1.964 0.335 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.254 -2.762 1.486 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.974 -1.039 1.642 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.090 -1.378 3.958 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.327 -3.108 3.806 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.924 0.029 4.530 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.562 -0.602 4.732 1.00 32.71 H new ATOM 998 N LYS A 63 12.696 -4.624 1.209 1.00 11.73 N ATOM 999 CA LYS A 63 12.292 -5.996 1.438 1.00 11.97 C ATOM 1000 C LYS A 63 11.778 -6.399 2.836 1.00 10.41 C ATOM 1001 O LYS A 63 12.207 -5.886 3.886 1.00 9.59 O ATOM 1002 CB LYS A 63 13.384 -7.054 0.952 1.00 13.73 C ATOM 1003 CG LYS A 63 14.574 -7.110 1.781 1.00 16.98 C ATOM 1004 CD LYS A 63 15.862 -7.672 1.129 1.00 20.19 C ATOM 1005 CE LYS A 63 17.054 -7.677 2.116 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.368 -7.573 1.456 1.00 25.97 N ATOM 0 H LYS A 63 13.629 -4.480 0.823 1.00 11.73 H new ATOM 0 HA LYS A 63 11.401 -6.029 0.811 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.927 -8.043 0.926 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.678 -6.811 -0.069 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.787 -6.102 2.136 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.347 -7.716 2.658 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.678 -8.687 0.777 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.117 -7.073 0.255 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.941 -6.847 2.814 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.024 -8.594 2.704 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 19.119 -7.582 2.175 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 18.497 -8.378 0.810 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.416 -6.685 0.916 1.00 25.97 H new ATOM 1020 N GLU A 64 10.680 -7.202 2.877 1.00 10.04 N ATOM 1021 CA GLU A 64 10.100 -7.825 4.033 1.00 10.94 C ATOM 1022 C GLU A 64 9.315 -6.820 4.905 1.00 9.74 C ATOM 1023 O GLU A 64 8.988 -7.130 6.063 1.00 9.42 O ATOM 1024 CB GLU A 64 11.102 -8.673 4.857 1.00 18.31 C ATOM 1025 CG GLU A 64 11.774 -9.728 4.039 1.00 24.16 C ATOM 1026 CD GLU A 64 12.731 -10.547 4.871 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.243 -11.335 5.753 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.986 -10.468 4.635 1.00 31.72 O ATOM 0 H GLU A 64 10.163 -7.428 2.028 1.00 10.04 H new ATOM 0 HA GLU A 64 9.376 -8.542 3.645 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.858 -8.017 5.288 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.576 -9.143 5.688 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.022 -10.382 3.598 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.314 -9.262 3.215 1.00 24.16 H new ATOM 1035 N SER A 65 9.098 -5.667 4.302 1.00 6.85 N ATOM 1036 CA SER A 65 8.338 -4.643 4.931 1.00 6.90 C ATOM 1037 C SER A 65 6.910 -5.050 5.242 1.00 4.72 C ATOM 1038 O SER A 65 6.293 -5.736 4.424 1.00 3.91 O ATOM 1039 CB SER A 65 8.328 -3.247 4.196 1.00 7.28 C ATOM 1040 OG SER A 65 9.636 -2.804 3.894 1.00 10.56 O ATOM 0 H SER A 65 9.446 -5.430 3.373 1.00 6.85 H new ATOM 0 HA SER A 65 8.886 -4.506 5.863 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.749 -3.325 3.276 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.830 -2.509 4.825 1.00 7.28 H new ATOM 0 HG SER A 65 9.965 -3.273 3.099 1.00 10.56 H new ATOM 1046 N THR A 66 6.320 -4.507 6.347 1.00 4.48 N ATOM 1047 CA THR A 66 4.938 -4.758 6.622 1.00 3.80 C ATOM 1048 C THR A 66 4.169 -3.432 6.705 1.00 4.60 C ATOM 1049 O THR A 66 4.464 -2.536 7.504 1.00 5.33 O ATOM 1050 CB THR A 66 4.781 -5.666 7.854 1.00 2.85 C ATOM 1051 OG1 THR A 66 5.438 -6.880 7.665 1.00 2.15 O ATOM 1052 CG2 THR A 66 3.294 -5.940 8.067 1.00 3.40 C ATOM 0 H THR A 66 6.795 -3.912 7.026 1.00 4.48 H new ATOM 0 HA THR A 66 4.488 -5.315 5.800 1.00 3.80 H new ATOM 0 HB THR A 66 5.216 -5.166 8.719 1.00 2.85 H new ATOM 0 HG1 THR A 66 5.326 -7.440 8.461 1.00 2.15 H new ATOM 0 HG21 THR A 66 3.164 -6.583 8.937 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.770 -4.998 8.230 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.885 -6.435 7.186 1.00 3.40 H new ATOM 1060 N LEU A 67 3.124 -3.348 5.873 1.00 4.17 N ATOM 1061 CA LEU A 67 2.343 -2.191 5.608 1.00 3.85 C ATOM 1062 C LEU A 67 0.957 -2.569 5.930 1.00 3.80 C ATOM 1063 O LEU A 67 0.656 -3.755 6.068 1.00 5.54 O ATOM 1064 CB LEU A 67 2.488 -1.717 4.133 1.00 7.18 C ATOM 1065 CG LEU A 67 3.920 -1.448 3.670 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.581 -2.708 3.059 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.905 -0.262 2.739 1.00 11.66 C ATOM 0 H LEU A 67 2.801 -4.157 5.343 1.00 4.17 H new ATOM 0 HA LEU A 67 2.673 -1.343 6.208 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.049 -2.472 3.481 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.904 -0.806 4.003 1.00 7.18 H new ATOM 0 HG LEU A 67 4.548 -1.203 4.527 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.597 -2.470 2.744 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.609 -3.502 3.805 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.003 -3.041 2.197 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.919 -0.054 2.398 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.271 -0.482 1.880 1.00 11.66 H new ATOM 0 HD23 LEU A 67 3.514 0.609 3.265 1.00 11.66 H new ATOM 1079 N HIS A 68 0.100 -1.559 6.168 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.297 -1.739 6.658 1.00 4.17 C ATOM 1081 C HIS A 68 -2.238 -0.941 5.785 1.00 5.32 C ATOM 1082 O HIS A 68 -1.921 0.229 5.359 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.452 -1.137 8.033 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.279 -1.637 8.815 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.609 -0.853 9.486 1.00 13.74 N ATOM 1086 CD2 HIS A 68 0.081 -2.892 9.091 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.517 -1.649 10.104 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.275 -2.924 9.897 1.00 16.30 N ATOM 0 H HIS A 68 0.352 -0.581 6.027 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.513 -2.807 6.653 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.459 -0.048 7.987 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.391 -1.443 8.493 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.453 -3.769 8.754 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.341 -1.279 10.696 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.801 -3.734 10.225 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.459 -1.482 5.443 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.486 -0.894 4.639 1.00 3.97 C ATOM 1098 C LEU A 69 -5.618 -0.426 5.501 1.00 5.07 C ATOM 1099 O LEU A 69 -5.979 -1.157 6.410 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.917 -1.865 3.487 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.528 -1.370 2.177 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.148 -2.205 0.976 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.065 -1.369 2.238 1.00 9.96 C ATOM 0 H LEU A 69 -3.727 -2.411 5.769 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.099 -0.005 4.141 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.032 -2.442 3.219 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.633 -2.563 3.920 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.128 -0.363 2.059 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.619 -1.793 0.083 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -4.065 -2.194 0.853 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -5.486 -3.231 1.124 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.467 -1.011 1.290 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.422 -2.382 2.425 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.397 -0.713 3.043 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.213 0.718 5.265 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.458 1.185 5.896 1.00 6.26 C ATOM 1117 C VAL A 70 -8.371 1.379 4.678 1.00 9.22 C ATOM 1118 O VAL A 70 -7.962 1.906 3.667 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.402 2.500 6.724 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.831 3.038 7.105 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.518 2.170 7.899 1.00 8.54 C ATOM 0 H VAL A 70 -5.837 1.392 4.598 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.773 0.467 6.653 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.989 3.335 6.159 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.732 3.957 7.682 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.398 3.240 6.196 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -9.354 2.290 7.701 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.423 3.046 8.540 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.959 1.351 8.467 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.532 1.874 7.541 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.664 0.945 4.848 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.599 1.006 3.703 1.00 16.06 C ATOM 1133 C LEU A 71 -11.176 2.387 3.553 1.00 18.09 C ATOM 1134 O LEU A 71 -11.201 3.154 4.476 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.745 -0.011 3.667 1.00 17.10 C ATOM 1136 CG LEU A 71 -11.344 -1.431 3.207 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -10.959 -1.425 1.742 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.263 -2.138 4.015 1.00 19.57 C ATOM 0 H LEU A 71 -10.052 0.574 5.715 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.957 0.732 2.866 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.183 -0.078 4.663 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.523 0.364 3.002 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.245 -2.018 3.385 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -10.680 -2.433 1.435 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -11.805 -1.085 1.145 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.115 -0.752 1.590 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.076 -3.123 3.588 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.345 -1.550 3.987 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -10.593 -2.247 5.048 1.00 19.57 H new