USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=16 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 Single : A 1 MET CE :methyl -151:sc= -0.01 (180deg=-0.705) USER MOD Single : A 1 MET N :NH3+ 144:sc= 1.31 (180deg=1.26) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.127 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= 1.04 (180deg=-0.246!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -60:sc= 0.265 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc=-0.00274 USER MOD Single : A 25 ASN : amide:sc= 0.838 K(o=0.84,f=-0.87) USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= 1.34 (180deg=0.623) USER MOD Single : A 29 LYS NZ :NH3+ 170:sc= 1.12 (180deg=1.03) USER MOD Single : A 31 GLN : amide:sc= -0.0688 X(o=-0.069,f=-0.52) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00419 X(o=-0.0042,f=-0.26) USER MOD Single : A 41 GLN : amide:sc= 0.315 K(o=0.32,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0499 X(o=-0.05,f=0) USER MOD Single : A 55 THR OG1 : rot -56:sc= 0.971 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.0504 USER MOD Single : A 60 ASN : amide:sc= -0.0201 X(o=-0.02,f=-0.0063) USER MOD Single : A 62 GLN : amide:sc= -0.0205 X(o=-0.021,f=-0.021) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.996 -4.605 -3.932 1.00 0.78 N ATOM 2 CA MET A 1 12.613 -5.264 -2.663 1.00 0.70 C ATOM 3 C MET A 1 11.189 -5.704 -2.692 1.00 0.62 C ATOM 4 O MET A 1 10.486 -5.321 -3.624 1.00 0.68 O ATOM 5 CB MET A 1 12.955 -4.299 -1.516 1.00 0.75 C ATOM 6 CG MET A 1 12.097 -3.032 -1.553 1.00 0.79 C ATOM 7 SD MET A 1 12.395 -2.096 -0.023 1.00 1.10 S ATOM 8 CE MET A 1 11.024 -0.937 -0.309 1.00 0.84 C ATOM 0 H1 MET A 1 13.657 -3.827 -3.733 1.00 0.78 H new ATOM 0 H2 MET A 1 13.454 -5.297 -4.558 1.00 0.78 H new ATOM 0 H3 MET A 1 12.146 -4.227 -4.397 1.00 0.78 H new ATOM 0 HA MET A 1 13.175 -6.185 -2.508 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.811 -4.806 -0.562 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.008 -4.025 -1.576 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.350 -2.427 -2.424 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.042 -3.290 -1.641 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.255 0.021 0.156 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.884 -0.796 -1.381 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.110 -1.341 0.126 1.00 0.84 H new ATOM 20 N GLN A 2 10.827 -6.493 -1.664 1.00 0.59 N ATOM 21 CA GLN A 2 9.471 -6.924 -1.511 1.00 0.56 C ATOM 22 C GLN A 2 8.910 -6.347 -0.257 1.00 0.50 C ATOM 23 O GLN A 2 9.613 -6.224 0.744 1.00 0.60 O ATOM 24 CB GLN A 2 9.291 -8.451 -1.548 1.00 0.71 C ATOM 25 CG GLN A 2 9.206 -9.012 -2.968 1.00 1.15 C ATOM 26 CD GLN A 2 10.502 -9.179 -3.749 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.750 -8.575 -4.792 1.00 1.87 O ATOM 28 NE2 GLN A 2 11.424 -10.038 -3.239 1.00 1.72 N ATOM 0 H GLN A 2 11.466 -6.830 -0.944 1.00 0.59 H new ATOM 0 HA GLN A 2 8.919 -6.554 -2.375 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.125 -8.922 -1.027 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.385 -8.717 -1.004 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.721 -9.987 -2.914 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.550 -8.361 -3.546 1.00 1.15 H new ATOM 0 HE21 GLN A 2 11.227 -10.543 -2.375 1.00 1.72 H new ATOM 0 HE22 GLN A 2 12.312 -10.177 -3.720 1.00 1.72 H new ATOM 37 N ILE A 3 7.675 -5.826 -0.364 1.00 0.44 N ATOM 38 CA ILE A 3 6.921 -5.400 0.775 1.00 0.42 C ATOM 39 C ILE A 3 5.702 -6.257 0.831 1.00 0.40 C ATOM 40 O ILE A 3 5.252 -6.811 -0.171 1.00 0.50 O ATOM 41 CB ILE A 3 6.540 -3.951 0.717 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.830 -3.627 -0.609 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.874 -3.194 0.839 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.288 -2.203 -0.503 1.00 0.72 C ATOM 0 H ILE A 3 7.192 -5.698 -1.253 1.00 0.44 H new ATOM 0 HA ILE A 3 7.533 -5.506 1.671 1.00 0.42 H new ATOM 0 HB ILE A 3 5.841 -3.671 1.505 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.523 -3.712 -1.446 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.020 -4.333 -0.793 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.688 -2.121 0.806 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.352 -3.450 1.784 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.528 -3.475 0.014 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.777 -1.938 -1.429 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.587 -2.142 0.329 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.113 -1.511 -0.334 1.00 0.72 H new ATOM 56 N PHE A 4 5.011 -6.284 1.984 1.00 0.37 N ATOM 57 CA PHE A 4 3.776 -6.904 2.355 1.00 0.38 C ATOM 58 C PHE A 4 2.730 -5.862 2.551 1.00 0.39 C ATOM 59 O PHE A 4 2.863 -4.747 3.054 1.00 0.60 O ATOM 60 CB PHE A 4 3.826 -7.818 3.591 1.00 0.45 C ATOM 61 CG PHE A 4 4.867 -8.874 3.447 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.845 -9.775 2.409 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.784 -9.008 4.463 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.793 -10.770 2.346 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.683 -10.048 4.474 1.00 1.40 C ATOM 66 CZ PHE A 4 6.738 -10.826 3.342 1.00 0.85 C ATOM 0 H PHE A 4 5.390 -5.783 2.788 1.00 0.37 H new ATOM 0 HA PHE A 4 3.538 -7.567 1.523 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.033 -7.220 4.479 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.852 -8.284 3.740 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.085 -9.702 1.645 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.798 -8.285 5.265 1.00 1.30 H new ATOM 0 HE1 PHE A 4 5.794 -11.486 1.537 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.314 -10.244 5.328 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.563 -11.514 3.230 1.00 0.85 H new ATOM 76 N VAL A 5 1.541 -6.172 2.002 1.00 0.35 N ATOM 77 CA VAL A 5 0.377 -5.347 2.077 1.00 0.35 C ATOM 78 C VAL A 5 -0.708 -6.258 2.539 1.00 0.35 C ATOM 79 O VAL A 5 -0.992 -7.283 1.921 1.00 0.46 O ATOM 80 CB VAL A 5 -0.053 -4.745 0.773 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.262 -3.808 0.945 1.00 0.58 C ATOM 82 CG2 VAL A 5 1.076 -3.899 0.162 1.00 0.56 C ATOM 0 H VAL A 5 1.386 -7.036 1.483 1.00 0.35 H new ATOM 0 HA VAL A 5 0.592 -4.503 2.733 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.314 -5.583 0.127 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.541 -3.393 -0.023 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.102 -4.369 1.355 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.000 -2.997 1.625 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.740 -3.473 -0.783 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.341 -3.095 0.849 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.948 -4.529 -0.013 1.00 0.56 H new ATOM 92 N LYS A 6 -1.419 -5.990 3.650 1.00 0.36 N ATOM 93 CA LYS A 6 -2.522 -6.756 4.141 1.00 0.39 C ATOM 94 C LYS A 6 -3.837 -6.173 3.750 1.00 0.46 C ATOM 95 O LYS A 6 -4.034 -4.961 3.830 1.00 0.53 O ATOM 96 CB LYS A 6 -2.465 -7.072 5.645 1.00 0.54 C ATOM 97 CG LYS A 6 -1.356 -8.054 6.031 1.00 1.22 C ATOM 98 CD LYS A 6 -1.301 -8.271 7.543 1.00 1.37 C ATOM 99 CE LYS A 6 -2.388 -9.260 7.973 1.00 1.93 C ATOM 100 NZ LYS A 6 -2.326 -9.495 9.433 1.00 2.09 N ATOM 0 H LYS A 6 -1.209 -5.187 4.242 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.423 -7.721 3.643 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -2.322 -6.143 6.196 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -3.425 -7.483 5.957 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -1.523 -9.008 5.531 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -0.395 -7.675 5.682 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -0.320 -8.651 7.828 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.438 -7.321 8.060 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -3.370 -8.871 7.703 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -2.261 -10.203 7.441 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -3.070 -10.168 9.708 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.395 -9.886 9.682 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -2.469 -8.596 9.936 1.00 2.09 H new ATOM 114 N THR A 7 -4.820 -7.007 3.370 1.00 0.58 N ATOM 115 CA THR A 7 -6.119 -6.495 3.063 1.00 0.78 C ATOM 116 C THR A 7 -6.935 -6.291 4.293 1.00 0.94 C ATOM 117 O THR A 7 -6.461 -6.458 5.415 1.00 0.99 O ATOM 118 CB THR A 7 -6.763 -7.205 1.910 1.00 0.90 C ATOM 119 OG1 THR A 7 -7.067 -8.518 2.357 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.855 -7.185 0.668 1.00 0.92 C ATOM 0 H THR A 7 -4.720 -8.018 3.276 1.00 0.58 H new ATOM 0 HA THR A 7 -6.019 -5.484 2.668 1.00 0.78 H new ATOM 0 HB THR A 7 -7.680 -6.706 1.595 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.493 -9.020 1.631 1.00 0.90 H new ATOM 0 HG21 THR A 7 -6.348 -7.707 -0.152 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.660 -6.153 0.376 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.912 -7.681 0.899 1.00 0.92 H new ATOM 128 N LEU A 8 -8.235 -5.976 4.143 1.00 1.17 N ATOM 129 CA LEU A 8 -9.175 -5.909 5.218 1.00 1.39 C ATOM 130 C LEU A 8 -9.346 -7.218 5.910 1.00 1.44 C ATOM 131 O LEU A 8 -9.299 -7.259 7.139 1.00 1.60 O ATOM 132 CB LEU A 8 -10.540 -5.399 4.727 1.00 1.66 C ATOM 133 CG LEU A 8 -10.632 -3.933 4.270 1.00 2.11 C ATOM 134 CD1 LEU A 8 -11.996 -3.848 3.567 1.00 2.53 C ATOM 135 CD2 LEU A 8 -10.621 -3.035 5.518 1.00 2.43 C ATOM 0 H LEU A 8 -8.647 -5.759 3.235 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.765 -5.203 5.940 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.855 -6.030 3.896 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -11.262 -5.546 5.530 1.00 1.66 H new ATOM 0 HG LEU A 8 -9.814 -3.620 3.621 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -12.155 -2.833 3.203 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -12.016 -4.542 2.727 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -12.785 -4.109 4.272 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -10.686 -1.990 5.215 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -11.473 -3.282 6.152 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -9.697 -3.195 6.073 1.00 2.43 H new ATOM 147 N THR A 9 -9.541 -8.348 5.207 1.00 1.41 N ATOM 148 CA THR A 9 -9.738 -9.624 5.821 1.00 1.51 C ATOM 149 C THR A 9 -8.415 -10.189 6.206 1.00 1.37 C ATOM 150 O THR A 9 -8.388 -11.061 7.073 1.00 1.62 O ATOM 151 CB THR A 9 -10.591 -10.536 4.990 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.965 -10.791 3.741 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.972 -9.903 4.754 1.00 2.08 C ATOM 0 H THR A 9 -9.562 -8.375 4.188 1.00 1.41 H new ATOM 0 HA THR A 9 -10.316 -9.504 6.737 1.00 1.51 H new ATOM 0 HB THR A 9 -10.715 -11.477 5.526 1.00 1.65 H new ATOM 0 HG1 THR A 9 -10.530 -11.389 3.208 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.582 -10.575 4.150 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.462 -9.732 5.712 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.853 -8.953 4.232 1.00 2.08 H new ATOM 161 N GLY A 10 -7.351 -9.714 5.532 1.00 1.18 N ATOM 162 CA GLY A 10 -6.021 -10.062 5.925 1.00 1.22 C ATOM 163 C GLY A 10 -5.183 -10.872 4.997 1.00 0.99 C ATOM 164 O GLY A 10 -4.244 -11.487 5.502 1.00 1.31 O ATOM 0 H GLY A 10 -7.411 -9.095 4.723 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.485 -9.135 6.129 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.088 -10.605 6.868 1.00 1.22 H new ATOM 168 N LYS A 11 -5.442 -10.867 3.678 1.00 0.73 N ATOM 169 CA LYS A 11 -4.657 -11.610 2.741 1.00 0.60 C ATOM 170 C LYS A 11 -3.389 -10.865 2.499 1.00 0.51 C ATOM 171 O LYS A 11 -3.403 -9.658 2.263 1.00 0.63 O ATOM 172 CB LYS A 11 -5.336 -11.610 1.361 1.00 0.75 C ATOM 173 CG LYS A 11 -4.810 -12.650 0.371 1.00 0.87 C ATOM 174 CD LYS A 11 -5.476 -12.842 -0.993 1.00 1.04 C ATOM 175 CE LYS A 11 -5.244 -11.682 -1.963 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.079 -11.907 -3.165 1.00 1.40 N ATOM 0 H LYS A 11 -6.206 -10.340 3.255 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.519 -12.615 3.140 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.404 -11.774 1.501 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -5.221 -10.621 0.918 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.762 -12.414 0.185 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.834 -13.615 0.878 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.101 -13.761 -1.444 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.548 -12.973 -0.848 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -5.505 -10.735 -1.491 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.191 -11.622 -2.238 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.639 -11.444 -3.985 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.159 -12.928 -3.346 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -7.027 -11.508 -3.009 1.00 1.40 H new ATOM 190 N THR A 12 -2.217 -11.524 2.500 1.00 0.49 N ATOM 191 CA THR A 12 -0.912 -10.944 2.419 1.00 0.48 C ATOM 192 C THR A 12 -0.494 -10.869 0.991 1.00 0.52 C ATOM 193 O THR A 12 -0.316 -11.905 0.351 1.00 0.72 O ATOM 194 CB THR A 12 0.162 -11.654 3.187 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.205 -11.647 4.559 1.00 0.77 O ATOM 196 CG2 THR A 12 1.439 -10.799 3.223 1.00 0.78 C ATOM 0 H THR A 12 -2.180 -12.541 2.562 1.00 0.49 H new ATOM 0 HA THR A 12 -1.012 -9.962 2.881 1.00 0.48 H new ATOM 0 HB THR A 12 0.299 -12.636 2.734 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.482 -12.108 5.084 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.213 -11.324 3.783 1.00 0.78 H new ATOM 0 HG22 THR A 12 1.786 -10.620 2.205 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.225 -9.846 3.706 1.00 0.78 H new ATOM 204 N ILE A 13 -0.412 -9.644 0.442 1.00 0.48 N ATOM 205 CA ILE A 13 0.004 -9.354 -0.895 1.00 0.55 C ATOM 206 C ILE A 13 1.420 -8.898 -0.814 1.00 0.51 C ATOM 207 O ILE A 13 1.782 -7.944 -0.127 1.00 0.56 O ATOM 208 CB ILE A 13 -0.763 -8.306 -1.647 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.265 -8.386 -1.326 1.00 1.15 C ATOM 210 CG2 ILE A 13 -0.495 -8.491 -3.150 1.00 1.13 C ATOM 211 CD1 ILE A 13 -3.109 -7.376 -2.101 1.00 1.55 C ATOM 0 H ILE A 13 -0.652 -8.803 0.966 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.166 -10.273 -1.455 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.431 -7.314 -1.342 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.622 -9.392 -1.547 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.409 -8.224 -0.258 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -1.045 -7.737 -3.713 1.00 1.13 H new ATOM 0 HG22 ILE A 13 0.572 -8.383 -3.345 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -0.822 -9.484 -3.458 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -4.157 -7.490 -1.825 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.778 -6.365 -1.861 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.995 -7.551 -3.171 1.00 1.55 H new ATOM 223 N THR A 14 2.289 -9.563 -1.595 1.00 0.55 N ATOM 224 CA THR A 14 3.694 -9.322 -1.711 1.00 0.54 C ATOM 225 C THR A 14 3.939 -8.605 -2.994 1.00 0.55 C ATOM 226 O THR A 14 3.633 -9.070 -4.091 1.00 0.72 O ATOM 227 CB THR A 14 4.526 -10.564 -1.825 1.00 0.67 C ATOM 228 OG1 THR A 14 4.347 -11.402 -0.692 1.00 1.08 O ATOM 229 CG2 THR A 14 6.031 -10.282 -1.680 1.00 1.03 C ATOM 0 H THR A 14 1.983 -10.331 -2.193 1.00 0.55 H new ATOM 0 HA THR A 14 3.971 -8.778 -0.808 1.00 0.54 H new ATOM 0 HB THR A 14 4.230 -10.983 -2.787 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.610 -10.917 0.118 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.586 -11.215 -1.771 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.349 -9.593 -2.462 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.225 -9.837 -0.704 1.00 1.03 H new ATOM 237 N LEU A 15 4.536 -7.401 -2.945 1.00 0.50 N ATOM 238 CA LEU A 15 4.840 -6.534 -4.042 1.00 0.55 C ATOM 239 C LEU A 15 6.271 -6.176 -4.253 1.00 0.52 C ATOM 240 O LEU A 15 6.868 -5.517 -3.402 1.00 0.58 O ATOM 241 CB LEU A 15 4.008 -5.259 -3.826 1.00 0.69 C ATOM 242 CG LEU A 15 2.480 -5.427 -3.873 1.00 0.76 C ATOM 243 CD1 LEU A 15 1.872 -4.168 -3.232 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.958 -5.656 -5.301 1.00 1.55 C ATOM 0 H LEU A 15 4.832 -6.999 -2.056 1.00 0.50 H new ATOM 0 HA LEU A 15 4.595 -7.084 -4.950 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.276 -4.835 -2.858 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.296 -4.530 -4.584 1.00 0.69 H new ATOM 0 HG LEU A 15 2.184 -6.319 -3.322 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.785 -4.243 -3.243 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.219 -4.080 -2.202 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.181 -3.288 -3.795 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.874 -5.768 -5.278 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.221 -4.803 -5.926 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.408 -6.560 -5.712 1.00 1.55 H new ATOM 256 N GLU A 16 6.741 -6.445 -5.483 1.00 0.59 N ATOM 257 CA GLU A 16 8.016 -6.008 -5.964 1.00 0.63 C ATOM 258 C GLU A 16 8.006 -4.535 -6.185 1.00 0.65 C ATOM 259 O GLU A 16 7.273 -4.059 -7.051 1.00 0.81 O ATOM 260 CB GLU A 16 8.242 -6.672 -7.333 1.00 0.76 C ATOM 261 CG GLU A 16 9.678 -6.523 -7.840 1.00 1.41 C ATOM 262 CD GLU A 16 10.039 -7.579 -8.877 1.00 1.52 C ATOM 263 OE1 GLU A 16 9.593 -7.353 -10.033 1.00 1.92 O ATOM 264 OE2 GLU A 16 10.632 -8.653 -8.591 1.00 1.95 O ATOM 0 H GLU A 16 6.215 -6.987 -6.169 1.00 0.59 H new ATOM 0 HA GLU A 16 8.789 -6.267 -5.241 1.00 0.63 H new ATOM 0 HB2 GLU A 16 7.996 -7.731 -7.262 1.00 0.76 H new ATOM 0 HB3 GLU A 16 7.558 -6.234 -8.060 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.806 -5.532 -8.275 1.00 1.41 H new ATOM 0 HG3 GLU A 16 10.367 -6.593 -6.998 1.00 1.41 H new ATOM 271 N VAL A 17 8.858 -3.806 -5.440 1.00 0.61 N ATOM 272 CA VAL A 17 8.989 -2.388 -5.565 1.00 0.63 C ATOM 273 C VAL A 17 10.421 -2.014 -5.389 1.00 0.65 C ATOM 274 O VAL A 17 11.312 -2.738 -4.947 1.00 0.76 O ATOM 275 CB VAL A 17 8.141 -1.643 -4.578 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.670 -1.781 -5.002 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.431 -2.066 -3.128 1.00 0.92 C ATOM 0 H VAL A 17 9.471 -4.213 -4.733 1.00 0.61 H new ATOM 0 HA VAL A 17 8.640 -2.107 -6.559 1.00 0.63 H new ATOM 0 HB VAL A 17 8.391 -0.582 -4.589 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.036 -1.245 -4.296 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.538 -1.361 -5.999 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.392 -2.835 -5.012 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.793 -1.500 -2.449 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.229 -3.131 -3.012 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.477 -1.868 -2.893 1.00 0.92 H new ATOM 287 N GLU A 18 10.809 -0.749 -5.626 1.00 0.68 N ATOM 288 CA GLU A 18 12.038 -0.156 -5.197 1.00 0.74 C ATOM 289 C GLU A 18 11.671 0.976 -4.301 1.00 0.71 C ATOM 290 O GLU A 18 10.522 1.409 -4.379 1.00 0.74 O ATOM 291 CB GLU A 18 12.735 0.409 -6.446 1.00 0.88 C ATOM 292 CG GLU A 18 13.184 -0.630 -7.476 1.00 1.16 C ATOM 293 CD GLU A 18 14.595 -1.111 -7.169 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.500 -0.236 -7.206 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.834 -2.280 -6.763 1.00 2.35 O ATOM 0 H GLU A 18 10.226 -0.098 -6.152 1.00 0.68 H new ATOM 0 HA GLU A 18 12.689 -0.867 -4.688 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.057 1.109 -6.934 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.607 0.980 -6.127 1.00 0.88 H new ATOM 0 HG2 GLU A 18 12.496 -1.476 -7.472 1.00 1.16 H new ATOM 0 HG3 GLU A 18 13.151 -0.197 -8.476 1.00 1.16 H new ATOM 302 N PRO A 19 12.476 1.491 -3.421 1.00 0.74 N ATOM 303 CA PRO A 19 12.115 2.457 -2.424 1.00 0.74 C ATOM 304 C PRO A 19 11.899 3.791 -3.053 1.00 0.70 C ATOM 305 O PRO A 19 11.324 4.606 -2.333 1.00 0.74 O ATOM 306 CB PRO A 19 13.231 2.564 -1.387 1.00 0.86 C ATOM 307 CG PRO A 19 14.465 2.159 -2.209 1.00 0.95 C ATOM 308 CD PRO A 19 13.906 1.246 -3.312 1.00 0.82 C ATOM 0 HA PRO A 19 11.192 2.136 -1.941 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.321 3.573 -0.986 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.067 1.898 -0.540 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.965 3.031 -2.630 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.198 1.637 -1.594 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.400 1.450 -4.262 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.096 0.200 -3.072 1.00 0.82 H new ATOM 316 N SER A 20 12.301 4.064 -4.308 1.00 0.70 N ATOM 317 CA SER A 20 12.095 5.297 -5.002 1.00 0.74 C ATOM 318 C SER A 20 10.808 5.258 -5.751 1.00 0.71 C ATOM 319 O SER A 20 10.526 6.153 -6.547 1.00 0.80 O ATOM 320 CB SER A 20 13.157 5.552 -6.085 1.00 0.89 C ATOM 321 OG SER A 20 14.451 5.274 -5.572 1.00 1.45 O ATOM 0 H SER A 20 12.802 3.378 -4.873 1.00 0.70 H new ATOM 0 HA SER A 20 12.126 6.068 -4.232 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.959 4.925 -6.954 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.105 6.588 -6.420 1.00 0.89 H new ATOM 0 HG SER A 20 15.121 5.437 -6.268 1.00 1.45 H new ATOM 327 N ASP A 21 9.941 4.242 -5.591 1.00 0.70 N ATOM 328 CA ASP A 21 8.630 4.281 -6.161 1.00 0.73 C ATOM 329 C ASP A 21 7.703 5.037 -5.273 1.00 0.64 C ATOM 330 O ASP A 21 7.826 5.083 -4.051 1.00 0.66 O ATOM 331 CB ASP A 21 8.077 2.861 -6.372 1.00 0.87 C ATOM 332 CG ASP A 21 8.641 2.121 -7.577 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.755 1.549 -7.437 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.071 2.165 -8.699 1.00 1.50 O ATOM 0 H ASP A 21 10.148 3.392 -5.066 1.00 0.70 H new ATOM 0 HA ASP A 21 8.703 4.780 -7.127 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.278 2.273 -5.477 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.994 2.921 -6.477 1.00 0.87 H new ATOM 339 N THR A 22 6.733 5.731 -5.896 1.00 0.63 N ATOM 340 CA THR A 22 5.781 6.560 -5.223 1.00 0.58 C ATOM 341 C THR A 22 4.652 5.675 -4.822 1.00 0.53 C ATOM 342 O THR A 22 4.479 4.551 -5.290 1.00 0.58 O ATOM 343 CB THR A 22 5.078 7.660 -5.962 1.00 0.63 C ATOM 344 OG1 THR A 22 4.382 7.263 -7.135 1.00 0.70 O ATOM 345 CG2 THR A 22 6.058 8.712 -6.508 1.00 0.75 C ATOM 0 H THR A 22 6.607 5.714 -6.908 1.00 0.63 H new ATOM 0 HA THR A 22 6.396 7.042 -4.463 1.00 0.58 H new ATOM 0 HB THR A 22 4.393 8.026 -5.197 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.957 8.046 -7.544 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.503 9.488 -7.035 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.610 9.159 -5.681 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.757 8.236 -7.195 1.00 0.75 H new ATOM 353 N ILE A 23 3.789 6.059 -3.865 1.00 0.51 N ATOM 354 CA ILE A 23 2.675 5.340 -3.329 1.00 0.48 C ATOM 355 C ILE A 23 1.628 5.127 -4.367 1.00 0.48 C ATOM 356 O ILE A 23 1.028 4.054 -4.383 1.00 0.51 O ATOM 357 CB ILE A 23 2.174 5.830 -2.003 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.260 5.512 -0.962 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.816 5.315 -1.496 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.690 4.051 -0.836 1.00 0.73 C ATOM 0 H ILE A 23 3.885 6.972 -3.421 1.00 0.51 H new ATOM 0 HA ILE A 23 3.046 4.351 -3.059 1.00 0.48 H new ATOM 0 HB ILE A 23 1.981 6.892 -2.153 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.142 6.106 -1.200 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.904 5.846 0.013 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.596 5.762 -0.526 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.035 5.588 -2.206 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.853 4.230 -1.396 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.459 3.963 -0.069 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.830 3.441 -0.559 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.088 3.705 -1.790 1.00 0.73 H new ATOM 372 N GLU A 24 1.523 6.044 -5.346 1.00 0.50 N ATOM 373 CA GLU A 24 0.786 5.974 -6.570 1.00 0.53 C ATOM 374 C GLU A 24 1.117 4.745 -7.345 1.00 0.50 C ATOM 375 O GLU A 24 0.249 4.012 -7.816 1.00 0.55 O ATOM 376 CB GLU A 24 0.994 7.204 -7.469 1.00 0.64 C ATOM 377 CG GLU A 24 -0.047 7.480 -8.554 1.00 0.95 C ATOM 378 CD GLU A 24 0.134 8.823 -9.247 1.00 1.05 C ATOM 379 OE1 GLU A 24 1.199 9.033 -9.887 1.00 1.56 O ATOM 380 OE2 GLU A 24 -0.665 9.769 -9.014 1.00 1.62 O ATOM 0 H GLU A 24 2.012 6.935 -5.267 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.262 5.945 -6.271 1.00 0.53 H new ATOM 0 HB2 GLU A 24 1.049 8.083 -6.826 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.965 7.103 -7.954 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.000 6.687 -9.300 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.041 7.441 -8.109 1.00 0.95 H new ATOM 387 N ASN A 25 2.391 4.368 -7.554 1.00 0.51 N ATOM 388 CA ASN A 25 2.831 3.192 -8.240 1.00 0.52 C ATOM 389 C ASN A 25 2.581 1.941 -7.470 1.00 0.47 C ATOM 390 O ASN A 25 2.162 0.909 -7.993 1.00 0.53 O ATOM 391 CB ASN A 25 4.268 3.178 -8.787 1.00 0.64 C ATOM 392 CG ASN A 25 4.430 2.325 -10.037 1.00 1.23 C ATOM 393 OD1 ASN A 25 3.541 2.033 -10.837 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.676 1.833 -10.268 1.00 1.57 N ATOM 0 H ASN A 25 3.173 4.929 -7.217 1.00 0.51 H new ATOM 0 HA ASN A 25 2.196 3.229 -9.125 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.574 4.200 -9.011 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.940 2.807 -8.013 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.849 1.243 -11.082 1.00 1.57 H new ATOM 0 HD22 ASN A 25 6.438 2.053 -9.627 1.00 1.57 H new ATOM 401 N VAL A 26 2.623 1.883 -6.127 1.00 0.45 N ATOM 402 CA VAL A 26 2.287 0.750 -5.322 1.00 0.44 C ATOM 403 C VAL A 26 0.863 0.328 -5.437 1.00 0.40 C ATOM 404 O VAL A 26 0.656 -0.864 -5.656 1.00 0.44 O ATOM 405 CB VAL A 26 2.595 0.959 -3.869 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.493 -0.393 -3.143 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.010 1.470 -3.550 1.00 0.62 C ATOM 0 H VAL A 26 2.912 2.684 -5.566 1.00 0.45 H new ATOM 0 HA VAL A 26 2.918 -0.043 -5.724 1.00 0.44 H new ATOM 0 HB VAL A 26 1.879 1.716 -3.550 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.715 -0.255 -2.085 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.484 -0.790 -3.254 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.208 -1.093 -3.575 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.121 1.585 -2.472 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.746 0.755 -3.917 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.167 2.433 -4.035 1.00 0.62 H new ATOM 417 N LYS A 27 -0.034 1.329 -5.388 1.00 0.40 N ATOM 418 CA LYS A 27 -1.412 1.159 -5.730 1.00 0.41 C ATOM 419 C LYS A 27 -1.721 0.713 -7.118 1.00 0.38 C ATOM 420 O LYS A 27 -2.629 -0.084 -7.346 1.00 0.42 O ATOM 421 CB LYS A 27 -2.154 2.485 -5.496 1.00 0.51 C ATOM 422 CG LYS A 27 -2.220 2.967 -4.045 1.00 0.76 C ATOM 423 CD LYS A 27 -2.809 4.363 -3.836 1.00 0.82 C ATOM 424 CE LYS A 27 -2.857 4.830 -2.381 1.00 1.22 C ATOM 425 NZ LYS A 27 -3.999 5.679 -1.974 1.00 1.11 N ATOM 0 H LYS A 27 0.204 2.279 -5.104 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.739 0.344 -5.085 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.673 3.259 -6.094 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.172 2.380 -5.870 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.811 2.254 -3.471 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.212 2.952 -3.630 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.223 5.079 -4.413 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -3.821 4.379 -4.241 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -2.851 3.946 -1.743 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -1.939 5.379 -2.173 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.659 6.448 -1.362 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.450 6.083 -2.820 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -4.691 5.103 -1.454 1.00 1.11 H new ATOM 439 N ALA A 28 -0.960 1.233 -8.097 1.00 0.39 N ATOM 440 CA ALA A 28 -1.031 0.785 -9.454 1.00 0.39 C ATOM 441 C ALA A 28 -0.739 -0.667 -9.612 1.00 0.36 C ATOM 442 O ALA A 28 -1.455 -1.447 -10.240 1.00 0.42 O ATOM 443 CB ALA A 28 0.010 1.523 -10.313 1.00 0.51 C ATOM 0 H ALA A 28 -0.282 1.979 -7.944 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.055 0.987 -9.769 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.054 1.173 -11.343 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.186 2.595 -10.281 1.00 0.51 H new ATOM 0 HB3 ALA A 28 1.009 1.325 -9.924 1.00 0.51 H new ATOM 449 N LYS A 29 0.273 -1.190 -8.897 1.00 0.39 N ATOM 450 CA LYS A 29 0.562 -2.587 -8.798 1.00 0.43 C ATOM 451 C LYS A 29 -0.417 -3.433 -8.061 1.00 0.44 C ATOM 452 O LYS A 29 -0.569 -4.599 -8.420 1.00 0.54 O ATOM 453 CB LYS A 29 1.954 -2.803 -8.177 1.00 0.54 C ATOM 454 CG LYS A 29 3.198 -2.302 -8.913 1.00 0.65 C ATOM 455 CD LYS A 29 4.436 -2.199 -8.020 1.00 1.08 C ATOM 456 CE LYS A 29 5.693 -1.791 -8.790 1.00 1.24 C ATOM 457 NZ LYS A 29 6.374 -2.930 -9.446 1.00 1.44 N ATOM 0 H LYS A 29 0.921 -0.611 -8.362 1.00 0.39 H new ATOM 0 HA LYS A 29 0.506 -2.922 -9.834 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.948 -2.335 -7.193 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.078 -3.874 -8.020 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.414 -2.974 -9.744 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.987 -1.322 -9.342 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.248 -1.472 -7.230 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.609 -3.160 -7.535 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.424 -1.053 -9.546 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.389 -1.306 -8.105 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 7.113 -2.572 -10.085 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.807 -3.539 -8.723 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.681 -3.481 -9.992 1.00 1.44 H new ATOM 471 N ILE A 30 -1.155 -2.922 -7.059 1.00 0.41 N ATOM 472 CA ILE A 30 -2.200 -3.700 -6.471 1.00 0.44 C ATOM 473 C ILE A 30 -3.353 -3.822 -7.407 1.00 0.45 C ATOM 474 O ILE A 30 -3.817 -4.940 -7.625 1.00 0.56 O ATOM 475 CB ILE A 30 -2.620 -3.063 -5.180 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.557 -3.199 -4.078 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.913 -3.690 -4.631 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.778 -2.214 -2.931 1.00 1.32 C ATOM 0 H ILE A 30 -1.032 -1.990 -6.663 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.834 -4.706 -6.268 1.00 0.44 H new ATOM 0 HB ILE A 30 -2.770 -2.011 -5.423 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.571 -4.216 -3.687 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.569 -3.036 -4.508 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.185 -3.202 -3.695 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.717 -3.559 -5.355 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.755 -4.754 -4.453 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.001 -2.351 -2.179 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.737 -1.194 -3.314 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.754 -2.393 -2.481 1.00 1.32 H new ATOM 490 N GLN A 31 -3.782 -2.740 -8.082 1.00 0.41 N ATOM 491 CA GLN A 31 -4.741 -2.697 -9.141 1.00 0.48 C ATOM 492 C GLN A 31 -4.521 -3.677 -10.242 1.00 0.52 C ATOM 493 O GLN A 31 -5.435 -4.347 -10.718 1.00 0.66 O ATOM 494 CB GLN A 31 -4.722 -1.270 -9.715 1.00 0.52 C ATOM 495 CG GLN A 31 -5.912 -1.013 -10.642 1.00 0.70 C ATOM 496 CD GLN A 31 -5.590 0.205 -11.495 1.00 0.97 C ATOM 497 OE1 GLN A 31 -6.279 1.220 -11.395 1.00 1.70 O ATOM 498 NE2 GLN A 31 -4.614 0.057 -12.430 1.00 1.43 N ATOM 0 H GLN A 31 -3.422 -1.811 -7.864 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.703 -2.975 -8.711 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.736 -0.549 -8.897 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.793 -1.111 -10.263 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.098 -1.882 -11.273 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.818 -0.842 -10.060 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -4.072 -0.806 -12.469 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -4.424 0.809 -13.092 1.00 1.43 H new ATOM 507 N ASP A 32 -3.243 -3.732 -10.661 1.00 0.50 N ATOM 508 CA ASP A 32 -2.797 -4.674 -11.640 1.00 0.60 C ATOM 509 C ASP A 32 -3.156 -6.093 -11.359 1.00 0.65 C ATOM 510 O ASP A 32 -3.589 -6.885 -12.194 1.00 0.81 O ATOM 511 CB ASP A 32 -1.287 -4.456 -11.833 1.00 0.67 C ATOM 512 CG ASP A 32 -0.972 -4.958 -13.235 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.567 -4.450 -14.223 1.00 1.55 O ATOM 514 OD2 ASP A 32 -0.129 -5.890 -13.328 1.00 1.51 O ATOM 0 H ASP A 32 -2.509 -3.114 -10.315 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.331 -4.485 -12.571 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.027 -3.403 -11.727 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.714 -5.002 -11.084 1.00 0.67 H new ATOM 519 N LYS A 33 -2.939 -6.554 -10.114 1.00 0.62 N ATOM 520 CA LYS A 33 -3.141 -7.924 -9.756 1.00 0.73 C ATOM 521 C LYS A 33 -4.554 -8.229 -9.393 1.00 0.69 C ATOM 522 O LYS A 33 -5.159 -9.214 -9.813 1.00 0.83 O ATOM 523 CB LYS A 33 -2.240 -8.134 -8.527 1.00 0.85 C ATOM 524 CG LYS A 33 -2.130 -9.614 -8.155 1.00 1.31 C ATOM 525 CD LYS A 33 -1.586 -9.873 -6.748 1.00 1.71 C ATOM 526 CE LYS A 33 -0.964 -11.257 -6.554 1.00 2.26 C ATOM 527 NZ LYS A 33 0.406 -11.258 -7.112 1.00 2.62 N ATOM 0 H LYS A 33 -2.618 -5.967 -9.344 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.907 -8.578 -10.596 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -1.246 -7.735 -8.731 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.641 -7.575 -7.682 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -3.115 -10.072 -8.240 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -1.484 -10.111 -8.879 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.837 -9.116 -6.517 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -2.397 -9.749 -6.030 1.00 1.71 H new ATOM 0 HE2 LYS A 33 -0.938 -11.512 -5.495 1.00 2.26 H new ATOM 0 HE3 LYS A 33 -1.572 -12.014 -7.049 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 0.833 -12.197 -6.982 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 0.368 -11.032 -8.126 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.982 -10.545 -6.620 1.00 2.62 H new ATOM 541 N GLU A 34 -5.094 -7.522 -8.385 1.00 0.63 N ATOM 542 CA GLU A 34 -6.316 -7.731 -7.671 1.00 0.67 C ATOM 543 C GLU A 34 -7.506 -7.063 -8.268 1.00 0.69 C ATOM 544 O GLU A 34 -8.640 -7.537 -8.219 1.00 0.95 O ATOM 545 CB GLU A 34 -6.197 -7.140 -6.256 1.00 0.73 C ATOM 546 CG GLU A 34 -5.214 -7.808 -5.292 1.00 0.83 C ATOM 547 CD GLU A 34 -5.725 -9.213 -5.008 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.942 -9.433 -4.762 1.00 1.37 O ATOM 549 OE2 GLU A 34 -4.866 -10.133 -4.942 1.00 1.48 O ATOM 0 H GLU A 34 -4.608 -6.699 -8.028 1.00 0.63 H new ATOM 0 HA GLU A 34 -6.462 -8.811 -7.693 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.914 -6.092 -6.352 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.186 -7.163 -5.798 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.216 -7.845 -5.729 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.136 -7.235 -4.368 1.00 0.83 H new ATOM 556 N GLY A 35 -7.452 -5.778 -8.661 1.00 0.63 N ATOM 557 CA GLY A 35 -8.537 -5.242 -9.421 1.00 0.68 C ATOM 558 C GLY A 35 -9.236 -4.175 -8.650 1.00 0.76 C ATOM 559 O GLY A 35 -10.418 -3.935 -8.893 1.00 1.12 O ATOM 0 H GLY A 35 -6.689 -5.131 -8.462 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.164 -4.835 -10.361 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.239 -6.036 -9.674 1.00 0.68 H new ATOM 563 N ILE A 36 -8.562 -3.472 -7.723 1.00 0.70 N ATOM 564 CA ILE A 36 -9.152 -2.456 -6.909 1.00 0.76 C ATOM 565 C ILE A 36 -8.690 -1.144 -7.443 1.00 0.71 C ATOM 566 O ILE A 36 -7.466 -1.026 -7.484 1.00 0.73 O ATOM 567 CB ILE A 36 -8.675 -2.674 -5.503 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.885 -4.158 -5.158 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.434 -1.639 -4.656 1.00 1.55 C ATOM 570 CD1 ILE A 36 -8.442 -4.427 -3.720 1.00 1.16 C ATOM 0 H ILE A 36 -7.570 -3.616 -7.533 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.242 -2.482 -6.918 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.613 -2.510 -5.322 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.935 -4.423 -5.280 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -8.316 -4.784 -5.846 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -9.138 -1.736 -3.611 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.196 -0.635 -5.009 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.507 -1.811 -4.747 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.594 -5.480 -3.483 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -7.386 -4.180 -3.612 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -9.030 -3.813 -3.037 1.00 1.16 H new ATOM 582 N PRO A 37 -9.416 -0.142 -7.840 1.00 0.75 N ATOM 583 CA PRO A 37 -8.840 1.111 -8.230 1.00 0.79 C ATOM 584 C PRO A 37 -8.118 1.910 -7.201 1.00 0.75 C ATOM 585 O PRO A 37 -8.262 1.609 -6.017 1.00 0.75 O ATOM 586 CB PRO A 37 -10.099 1.913 -8.554 1.00 0.95 C ATOM 587 CG PRO A 37 -11.004 0.855 -9.205 1.00 1.02 C ATOM 588 CD PRO A 37 -10.792 -0.345 -8.269 1.00 0.85 C ATOM 0 HA PRO A 37 -8.086 0.921 -8.994 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.551 2.339 -7.658 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.890 2.741 -9.231 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.047 1.171 -9.238 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.706 0.634 -10.230 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.488 -0.338 -7.430 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.924 -1.296 -8.785 1.00 0.85 H new ATOM 596 N PRO A 38 -7.323 2.893 -7.506 1.00 0.81 N ATOM 597 CA PRO A 38 -6.566 3.636 -6.541 1.00 0.85 C ATOM 598 C PRO A 38 -7.300 4.464 -5.543 1.00 0.89 C ATOM 599 O PRO A 38 -6.763 4.616 -4.447 1.00 0.99 O ATOM 600 CB PRO A 38 -5.599 4.534 -7.310 1.00 1.01 C ATOM 601 CG PRO A 38 -6.030 4.444 -8.782 1.00 1.25 C ATOM 602 CD PRO A 38 -6.757 3.092 -8.832 1.00 0.98 C ATOM 0 HA PRO A 38 -6.093 2.873 -5.923 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.648 5.562 -6.950 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.569 4.200 -7.182 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -6.685 5.268 -9.064 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -5.175 4.471 -9.458 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.537 3.096 -9.593 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.068 2.287 -9.087 1.00 0.98 H new ATOM 610 N ASP A 39 -8.513 4.902 -5.925 1.00 0.96 N ATOM 611 CA ASP A 39 -9.463 5.602 -5.116 1.00 1.11 C ATOM 612 C ASP A 39 -9.825 4.866 -3.872 1.00 1.00 C ATOM 613 O ASP A 39 -9.820 5.346 -2.741 1.00 1.14 O ATOM 614 CB ASP A 39 -10.746 5.960 -5.884 1.00 1.39 C ATOM 615 CG ASP A 39 -10.483 6.801 -7.126 1.00 1.73 C ATOM 616 OD1 ASP A 39 -10.192 8.010 -6.920 1.00 2.23 O ATOM 617 OD2 ASP A 39 -10.534 6.307 -8.283 1.00 2.25 O ATOM 0 H ASP A 39 -8.855 4.754 -6.874 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.955 6.524 -4.833 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -11.256 5.042 -6.175 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -11.420 6.503 -5.221 1.00 1.39 H new ATOM 622 N GLN A 40 -10.032 3.552 -4.076 1.00 0.87 N ATOM 623 CA GLN A 40 -10.585 2.726 -3.047 1.00 0.84 C ATOM 624 C GLN A 40 -9.581 2.191 -2.083 1.00 0.67 C ATOM 625 O GLN A 40 -9.919 1.448 -1.164 1.00 0.80 O ATOM 626 CB GLN A 40 -11.421 1.583 -3.646 1.00 0.95 C ATOM 627 CG GLN A 40 -12.805 2.003 -4.144 1.00 1.32 C ATOM 628 CD GLN A 40 -13.441 0.760 -4.752 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.382 0.537 -5.960 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.064 -0.073 -3.876 1.00 2.02 N ATOM 0 H GLN A 40 -9.818 3.065 -4.946 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.232 3.384 -2.467 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.869 1.142 -4.476 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.541 0.804 -2.893 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.412 2.388 -3.324 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.726 2.800 -4.884 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.086 0.156 -2.882 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.509 -0.927 -4.213 1.00 2.02 H new ATOM 639 N GLN A 41 -8.295 2.515 -2.308 1.00 0.56 N ATOM 640 CA GLN A 41 -7.174 1.974 -1.603 1.00 0.51 C ATOM 641 C GLN A 41 -6.560 2.959 -0.669 1.00 0.49 C ATOM 642 O GLN A 41 -5.881 3.907 -1.059 1.00 0.65 O ATOM 643 CB GLN A 41 -6.154 1.534 -2.667 1.00 0.67 C ATOM 644 CG GLN A 41 -6.363 0.274 -3.509 1.00 0.69 C ATOM 645 CD GLN A 41 -5.228 0.013 -4.490 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.110 -0.075 -3.986 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.414 0.192 -5.825 1.00 0.61 N ATOM 0 H GLN A 41 -8.023 3.192 -3.021 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.498 1.137 -0.984 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -6.046 2.365 -3.364 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.197 1.419 -2.158 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.466 -0.585 -2.846 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.298 0.365 -4.061 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.359 0.260 -6.204 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.609 0.258 -6.448 1.00 0.61 H new ATOM 656 N ARG A 42 -6.799 2.846 0.650 1.00 0.47 N ATOM 657 CA ARG A 42 -6.063 3.573 1.637 1.00 0.55 C ATOM 658 C ARG A 42 -4.980 2.685 2.145 1.00 0.46 C ATOM 659 O ARG A 42 -5.165 1.691 2.845 1.00 0.52 O ATOM 660 CB ARG A 42 -6.878 3.842 2.913 1.00 0.73 C ATOM 661 CG ARG A 42 -7.867 4.969 2.610 1.00 1.04 C ATOM 662 CD ARG A 42 -8.634 5.523 3.812 1.00 1.28 C ATOM 663 NE ARG A 42 -9.453 6.720 3.469 1.00 1.69 N ATOM 664 CZ ARG A 42 -10.653 6.966 4.071 1.00 2.19 C ATOM 665 NH1 ARG A 42 -11.387 6.047 4.763 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.140 8.241 4.100 1.00 2.78 N ATOM 0 H ARG A 42 -7.519 2.237 1.039 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.746 4.500 1.158 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.409 2.942 3.224 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.219 4.123 3.734 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.322 5.789 2.141 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.589 4.606 1.878 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.284 4.745 4.213 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -7.927 5.785 4.600 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.107 7.373 2.766 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -11.046 5.091 4.860 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -12.277 6.316 5.183 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.608 9.000 3.674 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -12.036 8.435 4.548 1.00 2.78 H new ATOM 680 N LEU A 43 -3.709 3.068 1.931 1.00 0.46 N ATOM 681 CA LEU A 43 -2.613 2.298 2.432 1.00 0.42 C ATOM 682 C LEU A 43 -2.187 2.995 3.679 1.00 0.43 C ATOM 683 O LEU A 43 -1.837 4.174 3.709 1.00 0.55 O ATOM 684 CB LEU A 43 -1.485 2.412 1.392 1.00 0.55 C ATOM 685 CG LEU A 43 -1.657 1.556 0.127 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.566 1.895 -0.903 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.621 0.060 0.485 1.00 1.12 C ATOM 0 H LEU A 43 -3.441 3.906 1.414 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.858 1.252 2.616 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.396 3.456 1.093 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.545 2.136 1.870 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.627 1.780 -0.316 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.702 1.280 -1.793 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.637 2.948 -1.175 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.415 1.697 -0.472 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.744 -0.534 -0.421 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.664 -0.180 0.949 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.429 -0.167 1.180 1.00 1.12 H new ATOM 699 N ILE A 44 -2.107 2.254 4.796 1.00 0.42 N ATOM 700 CA ILE A 44 -1.650 2.728 6.066 1.00 0.46 C ATOM 701 C ILE A 44 -0.383 2.015 6.394 1.00 0.42 C ATOM 702 O ILE A 44 -0.165 0.823 6.188 1.00 0.53 O ATOM 703 CB ILE A 44 -2.716 2.509 7.098 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.957 3.368 6.803 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.120 2.792 8.487 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.195 3.049 7.641 1.00 1.27 C ATOM 0 H ILE A 44 -2.376 1.270 4.815 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.448 3.799 6.043 1.00 0.46 H new ATOM 0 HB ILE A 44 -3.056 1.474 7.071 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.697 4.415 6.956 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.214 3.254 5.750 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.884 2.637 9.249 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.284 2.117 8.669 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.769 3.823 8.529 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.011 3.712 7.352 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.492 2.014 7.472 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.967 3.193 8.697 1.00 1.27 H new ATOM 718 N PHE A 45 0.586 2.698 7.031 1.00 0.42 N ATOM 719 CA PHE A 45 1.751 2.032 7.524 1.00 0.46 C ATOM 720 C PHE A 45 2.123 2.622 8.841 1.00 0.68 C ATOM 721 O PHE A 45 2.161 3.849 8.900 1.00 1.50 O ATOM 722 CB PHE A 45 2.909 2.208 6.527 1.00 0.56 C ATOM 723 CG PHE A 45 4.143 1.523 7.005 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.175 0.192 7.347 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.278 2.298 7.057 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.306 -0.383 7.878 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.400 1.705 7.585 1.00 1.33 C ATOM 728 CZ PHE A 45 6.400 0.425 8.086 1.00 1.02 C ATOM 0 H PHE A 45 0.563 3.703 7.203 1.00 0.42 H new ATOM 0 HA PHE A 45 1.547 0.968 7.643 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.620 1.806 5.556 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.111 3.270 6.385 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.294 -0.414 7.196 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.287 3.318 6.702 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.334 -1.434 8.124 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.321 2.269 7.607 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.252 0.057 8.638 1.00 1.02 H new ATOM 738 N ALA A 46 2.305 1.831 9.914 1.00 0.81 N ATOM 739 CA ALA A 46 2.771 2.205 11.214 1.00 0.96 C ATOM 740 C ALA A 46 1.680 2.896 11.957 1.00 0.97 C ATOM 741 O ALA A 46 1.613 2.830 13.184 1.00 1.21 O ATOM 742 CB ALA A 46 4.131 2.918 11.130 1.00 1.20 C ATOM 0 H ALA A 46 2.106 0.832 9.864 1.00 0.81 H new ATOM 0 HA ALA A 46 2.999 1.331 11.824 1.00 0.96 H new ATOM 0 HB1 ALA A 46 4.461 3.191 12.132 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.864 2.251 10.675 1.00 1.20 H new ATOM 0 HB3 ALA A 46 4.033 3.818 10.523 1.00 1.20 H new ATOM 748 N GLY A 47 0.770 3.537 11.204 1.00 0.99 N ATOM 749 CA GLY A 47 -0.320 4.339 11.668 1.00 1.10 C ATOM 750 C GLY A 47 -0.597 5.522 10.807 1.00 1.03 C ATOM 751 O GLY A 47 -1.625 6.196 10.839 1.00 1.30 O ATOM 0 H GLY A 47 0.800 3.490 10.186 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.217 3.722 11.723 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.105 4.679 12.681 1.00 1.10 H new ATOM 755 N LYS A 48 0.402 5.750 9.934 1.00 0.98 N ATOM 756 CA LYS A 48 0.337 6.822 8.990 1.00 1.05 C ATOM 757 C LYS A 48 -0.384 6.365 7.768 1.00 0.84 C ATOM 758 O LYS A 48 -0.078 5.330 7.179 1.00 0.81 O ATOM 759 CB LYS A 48 1.716 7.319 8.524 1.00 1.42 C ATOM 760 CG LYS A 48 2.314 8.190 9.630 1.00 1.61 C ATOM 761 CD LYS A 48 3.759 8.566 9.293 1.00 1.87 C ATOM 762 CE LYS A 48 4.387 9.313 10.471 1.00 2.22 C ATOM 763 NZ LYS A 48 5.856 9.299 10.288 1.00 2.55 N ATOM 0 H LYS A 48 1.254 5.192 9.882 1.00 0.98 H new ATOM 0 HA LYS A 48 -0.172 7.637 9.504 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.371 6.475 8.310 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.621 7.890 7.601 1.00 1.42 H new ATOM 0 HG2 LYS A 48 1.716 9.093 9.753 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.283 7.655 10.579 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.336 7.668 9.070 1.00 1.87 H new ATOM 0 HD3 LYS A 48 3.783 9.190 8.400 1.00 1.87 H new ATOM 0 HE2 LYS A 48 4.018 10.338 10.514 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.115 8.837 11.413 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 6.309 9.802 11.078 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 6.194 8.316 10.265 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 6.099 9.770 9.393 1.00 2.55 H new ATOM 777 N GLN A 49 -1.276 7.222 7.241 1.00 0.84 N ATOM 778 CA GLN A 49 -1.971 7.196 5.992 1.00 0.80 C ATOM 779 C GLN A 49 -1.072 7.630 4.885 1.00 0.72 C ATOM 780 O GLN A 49 -0.648 8.783 4.806 1.00 0.83 O ATOM 781 CB GLN A 49 -3.302 7.964 5.964 1.00 1.03 C ATOM 782 CG GLN A 49 -4.248 7.365 4.921 1.00 1.67 C ATOM 783 CD GLN A 49 -5.320 8.378 4.547 1.00 1.92 C ATOM 784 OE1 GLN A 49 -5.659 8.547 3.376 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.997 8.940 5.584 1.00 2.48 N ATOM 0 H GLN A 49 -1.544 8.050 7.772 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.258 6.155 5.847 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.769 7.929 6.948 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.118 9.014 5.735 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.686 7.073 4.034 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.712 6.461 5.316 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -5.688 8.778 6.542 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.814 9.523 5.403 1.00 2.48 H new ATOM 794 N LEU A 50 -0.681 6.687 4.010 1.00 0.69 N ATOM 795 CA LEU A 50 0.226 7.011 2.952 1.00 0.66 C ATOM 796 C LEU A 50 -0.331 7.911 1.903 1.00 0.72 C ATOM 797 O LEU A 50 -1.418 7.655 1.387 1.00 0.90 O ATOM 798 CB LEU A 50 0.939 5.769 2.393 1.00 0.65 C ATOM 799 CG LEU A 50 1.496 4.797 3.447 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.258 3.598 2.856 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.508 5.542 4.333 1.00 0.74 C ATOM 0 H LEU A 50 -0.987 5.714 4.033 1.00 0.69 H new ATOM 0 HA LEU A 50 0.999 7.622 3.418 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.241 5.226 1.756 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.761 6.098 1.757 1.00 0.65 H new ATOM 0 HG LEU A 50 0.626 4.426 3.989 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.618 2.962 3.664 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.591 3.025 2.212 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.105 3.957 2.272 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.907 4.859 5.083 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.323 5.920 3.716 1.00 0.74 H new ATOM 0 HD23 LEU A 50 2.012 6.376 4.829 1.00 0.74 H new ATOM 813 N GLU A 51 0.394 8.984 1.538 1.00 0.70 N ATOM 814 CA GLU A 51 0.036 9.926 0.523 1.00 0.76 C ATOM 815 C GLU A 51 0.537 9.553 -0.830 1.00 0.77 C ATOM 816 O GLU A 51 1.633 9.017 -0.985 1.00 1.23 O ATOM 817 CB GLU A 51 0.420 11.329 1.024 1.00 0.88 C ATOM 818 CG GLU A 51 0.061 12.480 0.082 1.00 1.35 C ATOM 819 CD GLU A 51 0.244 13.788 0.837 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.435 14.166 0.997 1.00 1.94 O ATOM 821 OE2 GLU A 51 -0.763 14.438 1.227 1.00 1.89 O ATOM 0 H GLU A 51 1.286 9.207 1.980 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.042 9.922 0.359 1.00 0.76 H new ATOM 0 HB2 GLU A 51 -0.068 11.501 1.983 1.00 0.88 H new ATOM 0 HB3 GLU A 51 1.495 11.351 1.205 1.00 0.88 H new ATOM 0 HG2 GLU A 51 0.698 12.460 -0.803 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.968 12.381 -0.263 1.00 1.35 H new ATOM 828 N ASP A 52 -0.191 9.817 -1.929 1.00 0.66 N ATOM 829 CA ASP A 52 0.040 9.404 -3.278 1.00 0.65 C ATOM 830 C ASP A 52 1.318 9.867 -3.890 1.00 0.60 C ATOM 831 O ASP A 52 2.126 9.115 -4.432 1.00 0.62 O ATOM 832 CB ASP A 52 -1.215 9.662 -4.128 1.00 0.81 C ATOM 833 CG ASP A 52 -1.417 11.123 -4.507 1.00 0.95 C ATOM 834 OD1 ASP A 52 -1.563 11.897 -3.524 1.00 1.44 O ATOM 835 OD2 ASP A 52 -1.395 11.451 -5.724 1.00 1.56 O ATOM 0 H ASP A 52 -1.036 10.384 -1.861 1.00 0.66 H new ATOM 0 HA ASP A 52 0.209 8.328 -3.250 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.153 9.066 -5.039 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -2.091 9.315 -3.579 1.00 0.81 H new ATOM 840 N GLY A 53 1.604 11.181 -3.905 1.00 0.68 N ATOM 841 CA GLY A 53 2.846 11.775 -4.290 1.00 0.73 C ATOM 842 C GLY A 53 4.080 11.728 -3.456 1.00 0.72 C ATOM 843 O GLY A 53 4.954 12.591 -3.529 1.00 0.97 O ATOM 0 H GLY A 53 0.914 11.879 -3.627 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.110 11.335 -5.252 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.638 12.830 -4.469 1.00 0.73 H new ATOM 847 N ARG A 54 4.230 10.671 -2.639 1.00 0.64 N ATOM 848 CA ARG A 54 5.452 10.480 -1.921 1.00 0.63 C ATOM 849 C ARG A 54 6.013 9.115 -2.121 1.00 0.59 C ATOM 850 O ARG A 54 5.247 8.235 -2.510 1.00 0.62 O ATOM 851 CB ARG A 54 5.147 10.587 -0.418 1.00 0.69 C ATOM 852 CG ARG A 54 4.359 11.800 0.082 1.00 0.82 C ATOM 853 CD ARG A 54 5.012 13.178 -0.050 1.00 1.18 C ATOM 854 NE ARG A 54 4.155 14.052 0.799 1.00 1.50 N ATOM 855 CZ ARG A 54 4.675 15.084 1.525 1.00 2.00 C ATOM 856 NH1 ARG A 54 6.016 15.262 1.704 1.00 2.48 N ATOM 857 NH2 ARG A 54 3.877 15.792 2.376 1.00 2.49 N ATOM 0 H ARG A 54 3.518 9.959 -2.476 1.00 0.64 H new ATOM 0 HA ARG A 54 6.160 11.227 -2.279 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.598 9.692 -0.127 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.097 10.566 0.116 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.410 11.826 -0.453 1.00 0.82 H new ATOM 0 HG3 ARG A 54 4.127 11.638 1.135 1.00 0.82 H new ATOM 0 HD2 ARG A 54 6.045 13.168 0.299 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.029 13.517 -1.086 1.00 1.18 H new ATOM 0 HE ARG A 54 3.151 13.874 0.839 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.678 14.608 1.286 1.00 2.48 H new ATOM 0 HH12 ARG A 54 6.357 16.049 2.256 1.00 2.48 H new ATOM 0 HH21 ARG A 54 2.891 15.550 2.470 1.00 2.49 H new ATOM 0 HH22 ARG A 54 4.267 16.563 2.918 1.00 2.49 H new ATOM 871 N THR A 55 7.315 8.892 -1.870 1.00 0.63 N ATOM 872 CA THR A 55 7.997 7.650 -2.061 1.00 0.61 C ATOM 873 C THR A 55 7.905 6.823 -0.824 1.00 0.59 C ATOM 874 O THR A 55 7.623 7.286 0.279 1.00 0.64 O ATOM 875 CB THR A 55 9.400 7.675 -2.592 1.00 0.68 C ATOM 876 OG1 THR A 55 10.223 8.275 -1.604 1.00 0.75 O ATOM 877 CG2 THR A 55 9.641 8.448 -3.899 1.00 0.76 C ATOM 0 H THR A 55 7.928 9.624 -1.512 1.00 0.63 H new ATOM 0 HA THR A 55 7.456 7.199 -2.893 1.00 0.61 H new ATOM 0 HB THR A 55 9.627 6.634 -2.821 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.870 9.161 -1.378 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.695 8.386 -4.170 1.00 0.76 H new ATOM 0 HG22 THR A 55 9.036 8.014 -4.695 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.363 9.493 -3.760 1.00 0.76 H new ATOM 885 N LEU A 56 8.274 5.541 -0.997 1.00 0.58 N ATOM 886 CA LEU A 56 8.459 4.640 0.099 1.00 0.59 C ATOM 887 C LEU A 56 9.599 5.097 0.943 1.00 0.64 C ATOM 888 O LEU A 56 9.523 4.922 2.159 1.00 0.70 O ATOM 889 CB LEU A 56 8.721 3.206 -0.389 1.00 0.60 C ATOM 890 CG LEU A 56 7.548 2.638 -1.206 1.00 0.63 C ATOM 891 CD1 LEU A 56 8.148 1.680 -2.248 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.636 1.921 -0.197 1.00 1.03 C ATOM 0 H LEU A 56 8.447 5.123 -1.911 1.00 0.58 H new ATOM 0 HA LEU A 56 7.542 4.636 0.688 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.624 3.193 -0.999 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.907 2.562 0.470 1.00 0.60 H new ATOM 0 HG LEU A 56 6.964 3.389 -1.738 1.00 0.63 H new ATOM 0 HD11 LEU A 56 7.348 1.252 -2.852 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.836 2.228 -2.892 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.686 0.880 -1.739 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.780 1.494 -0.720 1.00 1.03 H new ATOM 0 HD22 LEU A 56 7.194 1.125 0.296 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.287 2.635 0.549 1.00 1.03 H new ATOM 904 N SER A 57 10.659 5.687 0.364 1.00 0.68 N ATOM 905 CA SER A 57 11.801 6.175 1.075 1.00 0.75 C ATOM 906 C SER A 57 11.379 7.240 2.029 1.00 0.76 C ATOM 907 O SER A 57 11.884 7.370 3.142 1.00 0.84 O ATOM 908 CB SER A 57 12.908 6.640 0.114 1.00 0.84 C ATOM 909 OG SER A 57 13.952 7.281 0.832 1.00 1.19 O ATOM 0 H SER A 57 10.724 5.831 -0.644 1.00 0.68 H new ATOM 0 HA SER A 57 12.236 5.361 1.655 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.306 5.785 -0.433 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.492 7.325 -0.625 1.00 0.84 H new ATOM 0 HG SER A 57 14.649 7.570 0.207 1.00 1.19 H new ATOM 915 N ASP A 58 10.477 8.150 1.622 1.00 0.75 N ATOM 916 CA ASP A 58 9.953 9.162 2.487 1.00 0.78 C ATOM 917 C ASP A 58 9.320 8.720 3.760 1.00 0.77 C ATOM 918 O ASP A 58 9.552 9.201 4.869 1.00 0.86 O ATOM 919 CB ASP A 58 9.016 10.088 1.695 1.00 0.83 C ATOM 920 CG ASP A 58 9.653 10.693 0.453 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.792 11.200 0.635 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.105 10.578 -0.676 1.00 1.86 O ATOM 0 H ASP A 58 10.104 8.184 0.673 1.00 0.75 H new ATOM 0 HA ASP A 58 10.838 9.694 2.837 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.130 9.526 1.400 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.680 10.893 2.348 1.00 0.83 H new ATOM 927 N TYR A 59 8.539 7.633 3.622 1.00 0.72 N ATOM 928 CA TYR A 59 7.823 7.041 4.709 1.00 0.73 C ATOM 929 C TYR A 59 8.549 6.062 5.567 1.00 0.76 C ATOM 930 O TYR A 59 7.973 5.615 6.558 1.00 0.89 O ATOM 931 CB TYR A 59 6.568 6.348 4.155 1.00 0.73 C ATOM 932 CG TYR A 59 5.506 7.391 4.086 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.986 8.033 5.186 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.978 7.636 2.840 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.989 8.965 5.027 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.052 8.640 2.674 1.00 0.70 C ATOM 937 CZ TYR A 59 3.519 9.273 3.772 1.00 0.74 C ATOM 938 OH TYR A 59 2.447 10.185 3.679 1.00 0.86 O ATOM 0 H TYR A 59 8.402 7.154 2.732 1.00 0.72 H new ATOM 0 HA TYR A 59 7.615 7.882 5.370 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.761 5.925 3.169 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.262 5.525 4.801 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.361 7.805 6.173 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.290 7.042 1.994 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.572 9.458 5.893 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.744 8.931 1.681 1.00 0.70 H new ATOM 0 HH TYR A 59 2.666 10.882 3.026 1.00 0.86 H new ATOM 948 N ASN A 60 9.787 5.669 5.218 1.00 0.74 N ATOM 949 CA ASN A 60 10.527 4.677 5.935 1.00 0.79 C ATOM 950 C ASN A 60 9.930 3.320 5.787 1.00 0.75 C ATOM 951 O ASN A 60 9.853 2.580 6.766 1.00 0.86 O ATOM 952 CB ASN A 60 10.929 5.016 7.380 1.00 0.95 C ATOM 953 CG ASN A 60 11.812 6.250 7.501 1.00 1.25 C ATOM 954 OD1 ASN A 60 11.333 7.238 8.053 1.00 1.84 O ATOM 955 ND2 ASN A 60 13.045 6.224 6.925 1.00 1.83 N ATOM 0 H ASN A 60 10.287 6.051 4.415 1.00 0.74 H new ATOM 0 HA ASN A 60 11.495 4.672 5.435 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.026 5.168 7.972 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.453 4.163 7.811 1.00 0.95 H new ATOM 0 HD21 ASN A 60 13.631 7.059 6.936 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.383 5.369 6.483 1.00 1.83 H new ATOM 962 N ILE A 61 9.670 2.924 4.528 1.00 0.67 N ATOM 963 CA ILE A 61 9.238 1.601 4.199 1.00 0.65 C ATOM 964 C ILE A 61 10.348 0.794 3.617 1.00 0.66 C ATOM 965 O ILE A 61 10.729 0.959 2.459 1.00 0.75 O ATOM 966 CB ILE A 61 8.036 1.665 3.304 1.00 0.63 C ATOM 967 CG1 ILE A 61 6.912 2.399 4.054 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.647 0.218 2.954 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.769 2.937 3.194 1.00 0.82 C ATOM 0 H ILE A 61 9.762 3.538 3.719 1.00 0.67 H new ATOM 0 HA ILE A 61 8.942 1.086 5.113 1.00 0.65 H new ATOM 0 HB ILE A 61 8.233 2.210 2.381 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.493 1.718 4.795 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.352 3.233 4.600 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.774 0.224 2.302 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.478 -0.269 2.443 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.414 -0.327 3.868 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.037 3.434 3.831 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.163 3.650 2.470 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.290 2.111 2.667 1.00 0.82 H new ATOM 981 N GLN A 62 10.884 -0.200 4.346 1.00 0.67 N ATOM 982 CA GLN A 62 11.917 -1.116 3.972 1.00 0.70 C ATOM 983 C GLN A 62 11.261 -2.341 3.435 1.00 0.62 C ATOM 984 O GLN A 62 10.048 -2.475 3.287 1.00 0.64 O ATOM 985 CB GLN A 62 12.741 -1.454 5.225 1.00 0.85 C ATOM 986 CG GLN A 62 13.283 -0.277 6.038 1.00 1.27 C ATOM 987 CD GLN A 62 14.091 0.548 5.047 1.00 1.57 C ATOM 988 OE1 GLN A 62 13.664 1.632 4.651 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.293 0.090 4.607 1.00 2.16 N ATOM 0 H GLN A 62 10.558 -0.379 5.296 1.00 0.67 H new ATOM 0 HA GLN A 62 12.578 -0.692 3.216 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.122 -2.064 5.883 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.585 -2.072 4.919 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.473 0.309 6.472 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.905 -0.621 6.864 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.647 -0.808 4.935 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.840 0.645 3.949 1.00 2.16 H new ATOM 998 N LYS A 63 12.167 -3.291 3.144 1.00 0.64 N ATOM 999 CA LYS A 63 11.733 -4.609 2.793 1.00 0.62 C ATOM 1000 C LYS A 63 11.115 -5.358 3.923 1.00 0.59 C ATOM 1001 O LYS A 63 11.284 -5.128 5.120 1.00 0.66 O ATOM 1002 CB LYS A 63 12.934 -5.443 2.317 1.00 0.74 C ATOM 1003 CG LYS A 63 13.990 -5.902 3.324 1.00 0.89 C ATOM 1004 CD LYS A 63 14.890 -6.873 2.558 1.00 1.11 C ATOM 1005 CE LYS A 63 16.118 -7.217 3.404 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.640 -8.498 2.878 1.00 2.12 N ATOM 0 H LYS A 63 13.178 -3.154 3.150 1.00 0.64 H new ATOM 0 HA LYS A 63 10.983 -4.470 2.015 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.538 -6.335 1.832 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.447 -4.864 1.549 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.561 -5.056 3.707 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.528 -6.389 4.183 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.338 -7.781 2.316 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.201 -6.427 1.613 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.871 -6.432 3.333 1.00 1.47 H new ATOM 0 HE3 LYS A 63 15.851 -7.309 4.457 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 17.481 -8.780 3.421 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 15.909 -9.233 2.965 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 16.897 -8.383 1.877 1.00 2.12 H new ATOM 1020 N GLU A 64 10.184 -6.209 3.456 1.00 0.57 N ATOM 1021 CA GLU A 64 9.437 -7.181 4.193 1.00 0.58 C ATOM 1022 C GLU A 64 8.505 -6.629 5.215 1.00 0.56 C ATOM 1023 O GLU A 64 8.030 -7.294 6.133 1.00 0.70 O ATOM 1024 CB GLU A 64 10.221 -8.437 4.609 1.00 0.72 C ATOM 1025 CG GLU A 64 10.878 -9.267 3.504 1.00 0.96 C ATOM 1026 CD GLU A 64 11.965 -10.226 3.966 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.399 -10.218 5.148 1.00 1.69 O ATOM 1028 OE2 GLU A 64 12.450 -11.011 3.107 1.00 1.71 O ATOM 0 H GLU A 64 9.932 -6.215 2.468 1.00 0.57 H new ATOM 0 HA GLU A 64 8.749 -7.576 3.445 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.001 -8.129 5.305 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.542 -9.089 5.159 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.104 -9.841 2.995 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.306 -8.587 2.768 1.00 0.96 H new ATOM 1035 N SER A 65 8.084 -5.359 5.078 1.00 0.51 N ATOM 1036 CA SER A 65 7.243 -4.662 6.001 1.00 0.51 C ATOM 1037 C SER A 65 5.809 -4.807 5.624 1.00 0.43 C ATOM 1038 O SER A 65 5.491 -4.859 4.436 1.00 0.50 O ATOM 1039 CB SER A 65 7.394 -3.137 6.133 1.00 0.65 C ATOM 1040 OG SER A 65 8.702 -2.800 6.571 1.00 1.04 O ATOM 0 H SER A 65 8.346 -4.786 4.276 1.00 0.51 H new ATOM 0 HA SER A 65 7.560 -5.129 6.934 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.193 -2.662 5.173 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.658 -2.753 6.839 1.00 0.65 H new ATOM 0 HG SER A 65 8.781 -1.826 6.648 1.00 1.04 H new ATOM 1046 N THR A 66 4.979 -4.631 6.668 1.00 0.45 N ATOM 1047 CA THR A 66 3.577 -4.879 6.529 1.00 0.45 C ATOM 1048 C THR A 66 2.872 -3.567 6.508 1.00 0.43 C ATOM 1049 O THR A 66 2.777 -2.826 7.486 1.00 0.58 O ATOM 1050 CB THR A 66 3.045 -5.728 7.645 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.737 -6.968 7.587 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.561 -6.131 7.614 1.00 0.78 C ATOM 0 H THR A 66 5.272 -4.322 7.595 1.00 0.45 H new ATOM 0 HA THR A 66 3.407 -5.426 5.602 1.00 0.45 H new ATOM 0 HB THR A 66 3.180 -5.104 8.529 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.418 -7.554 8.305 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.332 -6.742 8.487 1.00 0.78 H new ATOM 0 HG22 THR A 66 0.940 -5.235 7.625 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.358 -6.702 6.708 1.00 0.78 H new ATOM 1060 N LEU A 67 2.342 -3.231 5.317 1.00 0.38 N ATOM 1061 CA LEU A 67 1.490 -2.109 5.072 1.00 0.38 C ATOM 1062 C LEU A 67 0.087 -2.595 5.201 1.00 0.37 C ATOM 1063 O LEU A 67 -0.276 -3.690 4.775 1.00 0.50 O ATOM 1064 CB LEU A 67 1.633 -1.668 3.604 1.00 0.46 C ATOM 1065 CG LEU A 67 2.885 -0.838 3.274 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.212 -1.615 3.293 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.732 -0.182 1.891 1.00 1.31 C ATOM 0 H LEU A 67 2.520 -3.777 4.474 1.00 0.38 H new ATOM 0 HA LEU A 67 1.739 -1.298 5.757 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.634 -2.558 2.975 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.752 -1.086 3.331 1.00 0.46 H new ATOM 0 HG LEU A 67 2.945 -0.101 4.075 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.032 -0.940 3.048 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.373 -2.036 4.285 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.173 -2.420 2.559 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.623 0.404 1.666 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.605 -0.955 1.134 1.00 1.31 H new ATOM 0 HD23 LEU A 67 1.859 0.471 1.893 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.834 -1.807 5.784 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.193 -2.200 5.993 1.00 0.37 C ATOM 1081 C HIS A 68 -3.001 -1.535 4.932 1.00 0.35 C ATOM 1082 O HIS A 68 -3.058 -0.313 4.795 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.673 -1.792 7.396 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.981 -2.668 8.399 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -0.834 -2.449 9.133 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -2.378 -3.926 8.729 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.619 -3.583 9.852 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -1.506 -4.531 9.612 1.00 1.51 N ATOM 0 H HIS A 68 -0.626 -0.867 6.121 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.298 -3.283 5.934 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.446 -0.743 7.586 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.754 -1.903 7.476 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -3.271 -4.397 8.345 1.00 1.48 H new ATOM 0 HE1 HIS A 68 0.197 -3.697 10.550 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -1.539 -5.479 9.987 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.663 -2.314 4.059 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.572 -1.816 3.074 1.00 0.38 C ATOM 1098 C LEU A 69 -5.971 -1.822 3.582 1.00 0.41 C ATOM 1099 O LEU A 69 -6.579 -2.839 3.912 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.512 -2.479 1.687 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.655 -2.279 0.678 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.568 -0.834 0.159 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.563 -3.113 -0.612 1.00 1.14 C ATOM 0 H LEU A 69 -3.562 -3.329 4.038 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.227 -0.796 2.906 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.595 -2.138 1.207 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.408 -3.552 1.847 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.556 -2.560 1.223 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.367 -0.657 -0.561 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.672 -0.141 0.994 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.603 -0.678 -0.324 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.419 -2.893 -1.250 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.643 -2.864 -1.141 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.561 -4.174 -0.360 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.637 -0.653 3.618 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.996 -0.488 4.028 1.00 0.56 C ATOM 1117 C VAL A 70 -8.799 -0.116 2.829 1.00 0.55 C ATOM 1118 O VAL A 70 -8.324 0.628 1.972 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.127 0.573 5.081 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.530 0.681 5.701 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.170 0.167 6.215 1.00 0.97 C ATOM 0 H VAL A 70 -6.200 0.227 3.345 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.356 -1.421 4.460 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.911 1.533 4.613 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.536 1.471 6.452 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.255 0.915 4.922 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.795 -0.267 6.170 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.221 0.905 7.016 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.459 -0.810 6.603 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.151 0.118 5.831 1.00 0.97 H new ATOM 1131 N LEU A 71 -10.028 -0.648 2.701 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.893 -0.244 1.637 1.00 0.84 C ATOM 1133 C LEU A 71 -11.724 0.968 1.883 1.00 0.85 C ATOM 1134 O LEU A 71 -12.330 1.162 2.936 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.855 -1.355 1.186 1.00 1.26 C ATOM 1136 CG LEU A 71 -12.586 -1.238 -0.162 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.630 -1.656 -1.291 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -13.787 -2.196 -0.231 1.00 2.78 C ATOM 0 H LEU A 71 -10.420 -1.351 3.328 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.165 -0.003 0.862 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -11.289 -2.286 1.168 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.616 -1.459 1.960 1.00 1.26 H new ATOM 0 HG LEU A 71 -12.922 -0.206 -0.265 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -12.142 -1.575 -2.250 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -10.758 -1.003 -1.290 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -11.312 -2.687 -1.135 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -14.283 -2.089 -1.196 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -13.441 -3.223 -0.112 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -14.490 -1.956 0.567 1.00 2.78 H new