USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 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 6 LYS NZ :NH3+ 169:sc= 1.11 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot -172:sc= 0.978 USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0.23 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.0162 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -174:sc= 2.19 (180deg=2.15) USER MOD Single : A 2 GLN : amide:sc= -0.0564 K(o=-0.056,f=-2.8!) USER MOD Single : A 11 LYS NZ :NH3+ 147:sc= 0.617 (180deg=-0.443!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0298 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0527 USER MOD Single : A 25 ASN : amide:sc= -0.41 X(o=-0.41,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 148:sc= 1.32 (180deg=-0.622) USER MOD Single : A 29 LYS NZ :NH3+ 160:sc= 1.27 (180deg=1.14) USER MOD Single : A 31 GLN : amide:sc= -1.75 X(o=-1.7,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 41 GLN : amide:sc= 0.866 K(o=0.87,f=-5.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0812 X(o=-0.081,f=0) USER MOD Single : A 55 THR OG1 : rot -20:sc= 1.27 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 142:sc= 0.0963 USER MOD Single : A 60 ASN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -130:sc= 0.319 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.0877 K(o=-0.088,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.399 -7.489 -4.998 1.00 9.67 N ATOM 2 CA MET A 1 11.390 -7.848 -3.507 1.00 10.38 C ATOM 3 C MET A 1 9.988 -8.016 -3.129 1.00 9.62 C ATOM 4 O MET A 1 9.012 -7.525 -3.765 1.00 9.62 O ATOM 5 CB MET A 1 12.150 -6.709 -2.710 1.00 13.77 C ATOM 6 CG MET A 1 11.415 -5.314 -2.690 1.00 16.29 C ATOM 7 SD MET A 1 11.983 -4.322 -1.263 1.00 17.17 S ATOM 8 CE MET A 1 10.653 -3.110 -1.205 1.00 16.11 C ATOM 0 H1 MET A 1 12.380 -7.458 -5.342 1.00 9.67 H new ATOM 0 H2 MET A 1 10.868 -8.207 -5.531 1.00 9.67 H new ATOM 0 H3 MET A 1 10.955 -6.558 -5.134 1.00 9.67 H new ATOM 0 HA MET A 1 11.914 -8.775 -3.274 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.298 -7.041 -1.682 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.139 -6.577 -3.148 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.613 -4.777 -3.618 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.337 -5.463 -2.632 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.831 -2.413 -0.386 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.619 -2.562 -2.147 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.703 -3.620 -1.047 1.00 16.11 H new ATOM 20 N GLN A 2 9.832 -8.691 -1.934 1.00 9.27 N ATOM 21 CA GLN A 2 8.591 -9.087 -1.293 1.00 9.07 C ATOM 22 C GLN A 2 8.126 -8.024 -0.244 1.00 8.72 C ATOM 23 O GLN A 2 8.933 -7.549 0.576 1.00 8.22 O ATOM 24 CB GLN A 2 8.825 -10.425 -0.500 1.00 14.46 C ATOM 25 CG GLN A 2 7.511 -11.007 0.134 1.00 17.01 C ATOM 26 CD GLN A 2 7.895 -12.413 0.590 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.765 -12.599 1.422 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.257 -13.488 0.009 1.00 19.49 N ATOM 0 H GLN A 2 10.643 -8.975 -1.385 1.00 9.27 H new ATOM 0 HA GLN A 2 7.839 -9.195 -2.074 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.256 -11.167 -1.172 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.555 -10.248 0.290 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.171 -10.398 0.971 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.698 -11.034 -0.592 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.528 -13.333 -0.688 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.514 -14.438 0.276 1.00 19.49 H new ATOM 37 N ILE A 3 6.802 -7.722 -0.184 1.00 5.87 N ATOM 38 CA ILE A 3 6.245 -7.043 0.979 1.00 5.07 C ATOM 39 C ILE A 3 4.959 -7.721 1.342 1.00 4.01 C ATOM 40 O ILE A 3 4.324 -8.439 0.528 1.00 4.61 O ATOM 41 CB ILE A 3 5.944 -5.591 0.870 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.430 -5.267 -0.524 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.267 -4.811 1.172 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.921 -3.822 -0.537 1.00 10.83 C ATOM 0 H ILE A 3 6.127 -7.939 -0.918 1.00 5.87 H new ATOM 0 HA ILE A 3 7.043 -7.111 1.719 1.00 5.07 H new ATOM 0 HB ILE A 3 5.169 -5.302 1.580 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.225 -5.394 -1.259 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.629 -5.952 -0.800 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.082 -3.739 1.101 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.611 -5.054 2.177 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.031 -5.096 0.449 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.549 -3.576 -1.532 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.115 -3.714 0.189 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.736 -3.147 -0.277 1.00 10.83 H new ATOM 56 N PHE A 4 4.476 -7.468 2.579 1.00 4.55 N ATOM 57 CA PHE A 4 3.300 -7.948 3.211 1.00 4.68 C ATOM 58 C PHE A 4 2.410 -6.770 3.562 1.00 5.30 C ATOM 59 O PHE A 4 2.856 -5.749 4.118 1.00 5.58 O ATOM 60 CB PHE A 4 3.623 -8.770 4.488 1.00 4.83 C ATOM 61 CG PHE A 4 4.445 -9.924 4.225 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.065 -10.900 3.351 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.693 -10.047 4.806 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.882 -12.056 3.116 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.560 -11.050 4.487 1.00 10.61 C ATOM 66 CZ PHE A 4 6.114 -12.092 3.677 1.00 8.90 C ATOM 0 H PHE A 4 4.988 -6.845 3.204 1.00 4.55 H new ATOM 0 HA PHE A 4 2.787 -8.615 2.518 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.129 -8.127 5.208 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.690 -9.093 4.950 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.128 -10.800 2.824 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.994 -9.318 5.544 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.524 -12.874 2.509 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.575 -11.037 4.856 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.759 -12.939 3.494 1.00 8.90 H new ATOM 76 N VAL A 5 1.115 -6.819 3.171 1.00 4.44 N ATOM 77 CA VAL A 5 0.195 -5.749 3.367 1.00 3.87 C ATOM 78 C VAL A 5 -0.874 -6.359 4.236 1.00 4.93 C ATOM 79 O VAL A 5 -1.345 -7.463 3.984 1.00 6.84 O ATOM 80 CB VAL A 5 -0.297 -5.152 2.065 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.320 -4.051 2.234 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.870 -4.627 1.243 1.00 9.13 C ATOM 0 H VAL A 5 0.705 -7.629 2.706 1.00 4.44 H new ATOM 0 HA VAL A 5 0.640 -4.878 3.848 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.798 -5.969 1.546 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -1.619 -3.679 1.254 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.193 -4.443 2.756 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.886 -3.237 2.814 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.497 -4.202 0.311 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.396 -3.857 1.808 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.555 -5.445 1.020 1.00 9.13 H new ATOM 92 N LYS A 6 -1.184 -5.660 5.344 1.00 6.04 N ATOM 93 CA LYS A 6 -2.095 -6.166 6.410 1.00 6.12 C ATOM 94 C LYS A 6 -3.441 -5.531 6.414 1.00 6.57 C ATOM 95 O LYS A 6 -3.543 -4.322 6.588 1.00 5.76 O ATOM 96 CB LYS A 6 -1.509 -6.111 7.851 1.00 7.45 C ATOM 97 CG LYS A 6 -1.829 -7.405 8.677 1.00 11.12 C ATOM 98 CD LYS A 6 -1.060 -8.587 8.118 1.00 14.54 C ATOM 99 CE LYS A 6 -1.060 -9.756 9.116 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.126 -10.657 8.559 1.00 20.55 N ATOM 0 H LYS A 6 -0.815 -4.728 5.533 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.204 -7.214 6.131 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.429 -5.976 7.796 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.912 -5.242 8.371 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.565 -7.252 9.723 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.899 -7.610 8.645 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.507 -8.906 7.177 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.035 -8.289 7.899 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.762 -9.433 10.114 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.048 -10.207 9.208 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.091 -11.403 9.250 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.527 -11.086 7.701 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.747 -10.146 8.316 1.00 20.55 H new ATOM 114 N THR A 7 -4.556 -6.214 6.222 1.00 7.41 N ATOM 115 CA THR A 7 -5.814 -5.537 6.285 1.00 7.48 C ATOM 116 C THR A 7 -6.404 -5.387 7.767 1.00 8.75 C ATOM 117 O THR A 7 -5.938 -6.030 8.689 1.00 8.58 O ATOM 118 CB THR A 7 -7.033 -6.028 5.401 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.590 -7.279 5.764 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.477 -6.206 4.020 1.00 9.17 C ATOM 0 H THR A 7 -4.605 -7.214 6.026 1.00 7.41 H new ATOM 0 HA THR A 7 -5.464 -4.602 5.847 1.00 7.48 H new ATOM 0 HB THR A 7 -7.829 -5.292 5.515 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.334 -7.493 5.163 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.267 -6.546 3.351 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.082 -5.255 3.662 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.677 -6.946 4.042 1.00 9.17 H new ATOM 128 N LEU A 8 -7.502 -4.529 7.956 1.00 9.84 N ATOM 129 CA LEU A 8 -8.218 -4.401 9.219 1.00 14.15 C ATOM 130 C LEU A 8 -8.728 -5.729 9.774 1.00 17.37 C ATOM 131 O LEU A 8 -8.678 -6.006 10.962 1.00 17.01 O ATOM 132 CB LEU A 8 -9.359 -3.314 9.122 1.00 16.63 C ATOM 133 CG LEU A 8 -9.886 -2.824 10.512 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.907 -2.029 11.326 1.00 19.31 C ATOM 135 CD2 LEU A 8 -11.182 -2.041 10.263 1.00 18.59 C ATOM 0 H LEU A 8 -7.874 -3.934 7.216 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.487 -4.053 9.949 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -8.984 -2.456 8.563 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.192 -3.726 8.553 1.00 16.63 H new ATOM 0 HG LEU A 8 -10.061 -3.706 11.128 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.370 -1.738 12.269 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -8.024 -2.635 11.527 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -8.616 -1.135 10.774 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -11.579 -1.683 11.213 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -10.974 -1.191 9.613 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -11.914 -2.692 9.786 1.00 18.59 H new ATOM 147 N THR A 9 -9.203 -6.573 8.881 1.00 18.33 N ATOM 148 CA THR A 9 -9.838 -7.794 9.266 1.00 19.24 C ATOM 149 C THR A 9 -8.888 -8.988 9.130 1.00 19.48 C ATOM 150 O THR A 9 -9.264 -10.144 9.105 1.00 23.14 O ATOM 151 CB THR A 9 -11.044 -7.983 8.424 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.802 -7.814 7.043 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.158 -6.976 8.736 1.00 19.70 C ATOM 0 H THR A 9 -9.155 -6.423 7.873 1.00 18.33 H new ATOM 0 HA THR A 9 -10.123 -7.734 10.316 1.00 19.24 H new ATOM 0 HB THR A 9 -11.337 -9.007 8.658 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.635 -7.953 6.546 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.013 -7.166 8.087 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.462 -7.081 9.777 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.792 -5.964 8.566 1.00 19.70 H new ATOM 161 N GLY A 10 -7.575 -8.668 8.928 1.00 19.43 N ATOM 162 CA GLY A 10 -6.487 -9.518 9.158 1.00 18.74 C ATOM 163 C GLY A 10 -5.991 -10.239 7.960 1.00 17.62 C ATOM 164 O GLY A 10 -5.133 -11.106 8.149 1.00 19.74 O ATOM 0 H GLY A 10 -7.290 -7.752 8.582 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.669 -8.931 9.575 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.771 -10.251 9.913 1.00 18.74 H new ATOM 168 N LYS A 11 -6.432 -9.889 6.709 1.00 13.56 N ATOM 169 CA LYS A 11 -5.855 -10.455 5.459 1.00 11.91 C ATOM 170 C LYS A 11 -4.423 -10.076 5.194 1.00 10.18 C ATOM 171 O LYS A 11 -4.038 -8.893 5.272 1.00 9.10 O ATOM 172 CB LYS A 11 -6.758 -10.209 4.220 1.00 13.43 C ATOM 173 CG LYS A 11 -6.476 -11.139 3.018 1.00 16.69 C ATOM 174 CD LYS A 11 -5.572 -10.664 1.940 1.00 17.92 C ATOM 175 CE LYS A 11 -5.191 -11.796 1.004 1.00 20.81 C ATOM 176 NZ LYS A 11 -6.244 -12.179 0.101 1.00 21.93 N ATOM 0 H LYS A 11 -7.184 -9.219 6.548 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.831 -11.529 5.642 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.800 -10.329 4.518 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.635 -9.175 3.898 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -6.062 -12.068 3.410 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -7.434 -11.385 2.560 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -6.061 -9.871 1.375 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -4.672 -10.234 2.380 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -4.318 -11.498 0.424 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -4.899 -12.663 1.597 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -5.831 -12.490 -0.801 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -6.792 -12.958 0.518 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.870 -11.366 -0.067 1.00 21.93 H new ATOM 190 N THR A 12 -3.567 -11.076 4.967 1.00 9.63 N ATOM 191 CA THR A 12 -2.185 -10.914 4.514 1.00 9.85 C ATOM 192 C THR A 12 -2.097 -10.956 3.026 1.00 11.66 C ATOM 193 O THR A 12 -2.412 -11.947 2.379 1.00 12.33 O ATOM 194 CB THR A 12 -1.203 -11.937 5.054 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.380 -12.108 6.480 1.00 10.91 O ATOM 196 CG2 THR A 12 0.279 -11.414 4.945 1.00 9.63 C ATOM 0 H THR A 12 -3.827 -12.054 5.098 1.00 9.63 H new ATOM 0 HA THR A 12 -1.900 -9.940 4.912 1.00 9.85 H new ATOM 0 HB THR A 12 -1.378 -12.847 4.480 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.661 -12.673 6.833 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.961 -12.168 5.339 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.520 -11.218 3.900 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.383 -10.494 5.520 1.00 9.63 H new ATOM 204 N ILE A 13 -1.733 -9.863 2.344 1.00 10.42 N ATOM 205 CA ILE A 13 -1.462 -9.776 0.913 1.00 11.84 C ATOM 206 C ILE A 13 0.052 -9.872 0.699 1.00 10.55 C ATOM 207 O ILE A 13 0.776 -9.289 1.472 1.00 11.92 O ATOM 208 CB ILE A 13 -1.898 -8.459 0.358 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.373 -8.137 0.708 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.742 -8.437 -1.178 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.753 -6.734 0.249 1.00 16.46 C ATOM 0 H ILE A 13 -1.614 -8.963 2.810 1.00 10.42 H new ATOM 0 HA ILE A 13 -2.003 -10.581 0.415 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.258 -7.704 0.813 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.030 -8.868 0.236 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.522 -8.223 1.784 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.065 -7.470 -1.563 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.697 -8.601 -1.440 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.354 -9.225 -1.617 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -4.793 -6.536 0.508 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.111 -6.004 0.742 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -3.627 -6.658 -0.831 1.00 16.46 H new ATOM 223 N THR A 14 0.558 -10.623 -0.341 1.00 9.39 N ATOM 224 CA THR A 14 1.952 -10.787 -0.626 1.00 9.63 C ATOM 225 C THR A 14 2.222 -10.226 -1.993 1.00 11.20 C ATOM 226 O THR A 14 1.560 -10.582 -2.983 1.00 11.63 O ATOM 227 CB THR A 14 2.376 -12.229 -0.633 1.00 10.38 C ATOM 228 OG1 THR A 14 2.155 -12.804 0.656 1.00 16.30 O ATOM 229 CG2 THR A 14 3.814 -12.380 -0.992 1.00 11.66 C ATOM 0 H THR A 14 -0.043 -11.125 -0.994 1.00 9.39 H new ATOM 0 HA THR A 14 2.511 -10.272 0.156 1.00 9.63 H new ATOM 0 HB THR A 14 1.779 -12.744 -1.386 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.431 -13.744 0.647 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.081 -13.437 -0.986 1.00 11.66 H new ATOM 0 HG22 THR A 14 3.986 -11.968 -1.986 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.428 -11.846 -0.267 1.00 11.66 H new ATOM 237 N LEU A 15 3.150 -9.249 -2.123 1.00 8.29 N ATOM 238 CA LEU A 15 3.382 -8.622 -3.378 1.00 9.03 C ATOM 239 C LEU A 15 4.824 -8.665 -3.808 1.00 8.59 C ATOM 240 O LEU A 15 5.675 -9.048 -3.042 1.00 7.79 O ATOM 241 CB LEU A 15 3.001 -7.110 -3.333 1.00 11.08 C ATOM 242 CG LEU A 15 1.624 -6.662 -2.831 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.635 -5.190 -2.499 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.514 -7.045 -3.793 1.00 15.27 C ATOM 0 H LEU A 15 3.730 -8.902 -1.359 1.00 8.29 H new ATOM 0 HA LEU A 15 2.765 -9.183 -4.080 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.746 -6.610 -2.713 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.115 -6.721 -4.345 1.00 11.08 H new ATOM 0 HG LEU A 15 1.407 -7.199 -1.908 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.649 -4.890 -2.144 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.374 -4.998 -1.722 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.889 -4.618 -3.391 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.444 -6.708 -3.396 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.692 -6.575 -4.760 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.495 -8.128 -3.914 1.00 15.27 H new ATOM 256 N GLU A 16 5.101 -8.301 -5.084 1.00 11.04 N ATOM 257 CA GLU A 16 6.366 -8.290 -5.694 1.00 11.50 C ATOM 258 C GLU A 16 6.604 -6.907 -6.303 1.00 10.13 C ATOM 259 O GLU A 16 5.846 -6.494 -7.191 1.00 9.83 O ATOM 260 CB GLU A 16 6.471 -9.372 -6.814 1.00 17.22 C ATOM 261 CG GLU A 16 7.775 -9.429 -7.679 1.00 23.33 C ATOM 262 CD GLU A 16 9.069 -9.538 -6.871 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.167 -10.515 -6.136 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.983 -8.686 -7.015 1.00 28.90 O ATOM 0 H GLU A 16 4.366 -7.994 -5.721 1.00 11.04 H new ATOM 0 HA GLU A 16 7.118 -8.515 -4.938 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.341 -10.348 -6.345 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.630 -9.230 -7.492 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.711 -10.282 -8.354 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.823 -8.534 -8.299 1.00 23.33 H new ATOM 271 N VAL A 17 7.518 -6.131 -5.763 1.00 8.99 N ATOM 272 CA VAL A 17 7.626 -4.699 -5.904 1.00 8.85 C ATOM 273 C VAL A 17 9.125 -4.311 -6.002 1.00 8.04 C ATOM 274 O VAL A 17 9.936 -5.217 -5.892 1.00 8.99 O ATOM 275 CB VAL A 17 7.025 -3.981 -4.707 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.563 -4.365 -4.669 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.742 -4.311 -3.383 1.00 10.54 C ATOM 0 H VAL A 17 8.257 -6.513 -5.172 1.00 8.99 H new ATOM 0 HA VAL A 17 7.084 -4.404 -6.803 1.00 8.85 H new ATOM 0 HB VAL A 17 7.147 -2.903 -4.817 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.080 -3.875 -3.824 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.080 -4.052 -5.595 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.473 -5.446 -4.561 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.266 -3.768 -2.566 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.678 -5.382 -3.192 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.789 -4.017 -3.453 1.00 10.54 H new ATOM 287 N GLU A 18 9.456 -3.016 -6.046 1.00 7.29 N ATOM 288 CA GLU A 18 10.783 -2.498 -5.992 1.00 7.08 C ATOM 289 C GLU A 18 10.754 -1.320 -5.081 1.00 6.45 C ATOM 290 O GLU A 18 9.645 -0.849 -4.895 1.00 5.28 O ATOM 291 CB GLU A 18 11.283 -2.047 -7.370 1.00 10.28 C ATOM 292 CG GLU A 18 11.373 -3.184 -8.481 1.00 12.65 C ATOM 293 CD GLU A 18 12.566 -4.073 -8.370 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.722 -3.535 -8.483 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.384 -5.316 -8.286 1.00 14.33 O ATOM 0 H GLU A 18 8.752 -2.282 -6.124 1.00 7.29 H new ATOM 0 HA GLU A 18 11.458 -3.278 -5.641 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.623 -1.260 -7.735 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.272 -1.604 -7.250 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.474 -3.798 -8.427 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.379 -2.713 -9.464 1.00 12.65 H new ATOM 302 N PRO A 19 11.857 -0.804 -4.539 1.00 7.24 N ATOM 303 CA PRO A 19 11.887 0.435 -3.786 1.00 7.07 C ATOM 304 C PRO A 19 11.458 1.677 -4.559 1.00 6.65 C ATOM 305 O PRO A 19 10.990 2.656 -3.996 1.00 6.37 O ATOM 306 CB PRO A 19 13.363 0.594 -3.372 1.00 7.61 C ATOM 307 CG PRO A 19 13.867 -0.803 -3.258 1.00 8.16 C ATOM 308 CD PRO A 19 13.134 -1.490 -4.440 1.00 7.49 C ATOM 0 HA PRO A 19 11.175 0.366 -2.963 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.925 1.160 -4.114 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.455 1.128 -2.427 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.951 -0.858 -3.359 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.613 -1.254 -2.299 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.704 -1.399 -5.365 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.997 -2.555 -4.254 1.00 7.49 H new ATOM 316 N SER A 20 11.523 1.545 -5.891 1.00 6.80 N ATOM 317 CA SER A 20 11.270 2.659 -6.869 1.00 6.28 C ATOM 318 C SER A 20 9.872 2.529 -7.516 1.00 8.45 C ATOM 319 O SER A 20 9.609 3.176 -8.536 1.00 7.26 O ATOM 320 CB SER A 20 12.387 2.499 -7.943 1.00 8.57 C ATOM 321 OG SER A 20 12.492 1.142 -8.428 1.00 11.13 O ATOM 0 H SER A 20 11.754 0.660 -6.344 1.00 6.80 H new ATOM 0 HA SER A 20 11.290 3.636 -6.387 1.00 6.28 H new ATOM 0 HB2 SER A 20 12.181 3.167 -8.780 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.343 2.805 -7.518 1.00 8.57 H new ATOM 0 HG SER A 20 13.203 1.089 -9.100 1.00 11.13 H new ATOM 327 N ASP A 21 8.971 1.738 -6.934 1.00 7.50 N ATOM 328 CA ASP A 21 7.581 1.697 -7.303 1.00 7.70 C ATOM 329 C ASP A 21 6.844 2.689 -6.383 1.00 7.08 C ATOM 330 O ASP A 21 7.162 2.872 -5.199 1.00 8.11 O ATOM 331 CB ASP A 21 6.951 0.297 -7.050 1.00 11.00 C ATOM 332 CG ASP A 21 7.257 -0.641 -8.219 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.774 -0.234 -9.341 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.749 -1.815 -8.149 1.00 18.03 O ATOM 0 H ASP A 21 9.207 1.097 -6.176 1.00 7.50 H new ATOM 0 HA ASP A 21 7.495 1.934 -8.363 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.343 -0.124 -6.124 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.873 0.393 -6.924 1.00 11.00 H new ATOM 339 N THR A 22 5.960 3.488 -6.996 1.00 5.37 N ATOM 340 CA THR A 22 5.169 4.472 -6.296 1.00 6.01 C ATOM 341 C THR A 22 3.981 3.836 -5.605 1.00 8.01 C ATOM 342 O THR A 22 3.568 2.759 -5.951 1.00 8.11 O ATOM 343 CB THR A 22 4.659 5.519 -7.294 1.00 8.92 C ATOM 344 OG1 THR A 22 4.324 4.960 -8.544 1.00 10.22 O ATOM 345 CG2 THR A 22 5.670 6.692 -7.494 1.00 9.65 C ATOM 0 H THR A 22 5.783 3.458 -8.000 1.00 5.37 H new ATOM 0 HA THR A 22 5.802 4.938 -5.541 1.00 6.01 H new ATOM 0 HB THR A 22 3.749 5.921 -6.848 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.003 5.666 -9.143 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.262 7.406 -8.209 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.841 7.191 -6.540 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.614 6.299 -7.872 1.00 9.65 H new ATOM 353 N ILE A 23 3.488 4.444 -4.512 1.00 8.32 N ATOM 354 CA ILE A 23 2.334 3.979 -3.802 1.00 9.92 C ATOM 355 C ILE A 23 1.094 3.855 -4.627 1.00 10.01 C ATOM 356 O ILE A 23 0.322 2.908 -4.420 1.00 8.71 O ATOM 357 CB ILE A 23 2.015 4.883 -2.653 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.180 5.022 -1.739 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.787 4.423 -1.836 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.778 3.686 -1.320 1.00 12.30 C ATOM 0 H ILE A 23 3.903 5.284 -4.109 1.00 8.32 H new ATOM 0 HA ILE A 23 2.615 2.979 -3.471 1.00 9.92 H new ATOM 0 HB ILE A 23 1.774 5.847 -3.101 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.949 5.619 -2.230 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.871 5.570 -0.848 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.611 5.122 -1.019 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.090 4.393 -2.483 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.972 3.429 -1.429 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.624 3.859 -0.654 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.022 3.096 -0.802 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.117 3.146 -2.204 1.00 12.30 H new ATOM 372 N GLU A 24 0.904 4.703 -5.709 1.00 9.54 N ATOM 373 CA GLU A 24 -0.126 4.601 -6.778 1.00 11.81 C ATOM 374 C GLU A 24 -0.023 3.233 -7.543 1.00 11.14 C ATOM 375 O GLU A 24 -1.036 2.579 -7.691 1.00 10.62 O ATOM 376 CB GLU A 24 0.060 5.810 -7.791 1.00 19.24 C ATOM 377 CG GLU A 24 -0.950 5.738 -9.006 1.00 27.76 C ATOM 378 CD GLU A 24 -0.552 6.701 -10.089 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.557 6.532 -10.645 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.315 7.653 -10.337 1.00 34.80 O ATOM 0 H GLU A 24 1.508 5.513 -5.849 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.114 4.647 -6.319 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.081 6.751 -7.260 1.00 19.24 H new ATOM 0 HB3 GLU A 24 1.082 5.809 -8.171 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -0.974 4.724 -9.405 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.958 5.968 -8.661 1.00 27.76 H new ATOM 387 N ASN A 25 1.196 2.822 -7.987 1.00 9.43 N ATOM 388 CA ASN A 25 1.468 1.573 -8.683 1.00 10.96 C ATOM 389 C ASN A 25 1.078 0.410 -7.752 1.00 9.68 C ATOM 390 O ASN A 25 0.505 -0.645 -8.144 1.00 9.33 O ATOM 391 CB ASN A 25 2.943 1.550 -9.156 1.00 16.78 C ATOM 392 CG ASN A 25 3.191 0.264 -9.999 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.612 0.029 -11.057 1.00 25.66 O ATOM 394 ND2 ASN A 25 4.012 -0.637 -9.414 1.00 24.70 N ATOM 0 H ASN A 25 2.035 3.386 -7.856 1.00 9.43 H new ATOM 0 HA ASN A 25 0.871 1.470 -9.589 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.160 2.437 -9.751 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.613 1.571 -8.297 1.00 16.78 H new ATOM 0 HD21 ASN A 25 4.167 -1.545 -9.851 1.00 24.70 H new ATOM 0 HD22 ASN A 25 4.477 -0.408 -8.535 1.00 24.70 H new ATOM 401 N VAL A 26 1.391 0.495 -6.491 1.00 6.52 N ATOM 402 CA VAL A 26 1.147 -0.463 -5.402 1.00 5.53 C ATOM 403 C VAL A 26 -0.367 -0.582 -5.151 1.00 4.42 C ATOM 404 O VAL A 26 -0.809 -1.672 -4.987 1.00 3.40 O ATOM 405 CB VAL A 26 1.996 -0.115 -4.217 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.551 -1.014 -3.077 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.517 -0.294 -4.580 1.00 8.12 C ATOM 0 H VAL A 26 1.878 1.321 -6.142 1.00 6.52 H new ATOM 0 HA VAL A 26 1.461 -1.472 -5.669 1.00 5.53 H new ATOM 0 HB VAL A 26 1.877 0.926 -3.917 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.144 -0.796 -2.189 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.497 -0.835 -2.863 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.692 -2.057 -3.360 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.130 -0.040 -3.715 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.704 -1.329 -4.865 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.772 0.363 -5.411 1.00 8.12 H new ATOM 417 N LYS A 27 -1.141 0.497 -5.171 1.00 2.64 N ATOM 418 CA LYS A 27 -2.607 0.378 -5.056 1.00 4.14 C ATOM 419 C LYS A 27 -3.221 -0.488 -6.161 1.00 5.58 C ATOM 420 O LYS A 27 -4.104 -1.321 -5.959 1.00 4.11 O ATOM 421 CB LYS A 27 -3.292 1.801 -4.974 1.00 3.97 C ATOM 422 CG LYS A 27 -2.989 2.561 -3.619 1.00 7.45 C ATOM 423 CD LYS A 27 -3.955 3.800 -3.329 1.00 9.02 C ATOM 424 CE LYS A 27 -3.933 4.925 -4.390 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.693 6.165 -3.964 1.00 15.47 N ATOM 0 H LYS A 27 -0.795 1.452 -5.264 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.807 -0.143 -4.120 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.949 2.411 -5.810 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.370 1.685 -5.085 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.068 1.853 -2.794 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.958 2.916 -3.638 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.976 3.429 -3.240 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.686 4.230 -2.364 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.898 5.196 -4.601 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -4.359 4.547 -5.319 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -4.242 7.007 -4.375 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -5.676 6.101 -4.298 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.684 6.239 -2.927 1.00 15.47 H new ATOM 439 N ALA A 28 -2.713 -0.342 -7.441 1.00 6.61 N ATOM 440 CA ALA A 28 -3.090 -1.220 -8.571 1.00 7.74 C ATOM 441 C ALA A 28 -2.677 -2.695 -8.421 1.00 9.17 C ATOM 442 O ALA A 28 -3.455 -3.576 -8.773 1.00 11.45 O ATOM 443 CB ALA A 28 -2.536 -0.622 -9.907 1.00 7.68 C ATOM 0 H ALA A 28 -2.042 0.383 -7.694 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.180 -1.241 -8.580 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.814 -1.270 -10.738 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.957 0.371 -10.064 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.450 -0.550 -9.851 1.00 7.68 H new ATOM 449 N LYS A 29 -1.487 -2.991 -7.879 1.00 8.96 N ATOM 450 CA LYS A 29 -1.152 -4.339 -7.405 1.00 7.90 C ATOM 451 C LYS A 29 -2.118 -4.839 -6.317 1.00 6.92 C ATOM 452 O LYS A 29 -2.556 -5.964 -6.346 1.00 6.87 O ATOM 453 CB LYS A 29 0.262 -4.472 -6.802 1.00 10.28 C ATOM 454 CG LYS A 29 1.415 -4.095 -7.824 1.00 14.94 C ATOM 455 CD LYS A 29 2.841 -4.254 -7.279 1.00 19.69 C ATOM 456 CE LYS A 29 3.880 -3.811 -8.269 1.00 22.63 C ATOM 457 NZ LYS A 29 4.476 -4.968 -8.972 1.00 24.98 N ATOM 0 H LYS A 29 -0.737 -2.310 -7.758 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.223 -4.935 -8.315 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.338 -3.829 -5.925 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.409 -5.496 -6.460 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.310 -4.717 -8.713 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.276 -3.061 -8.140 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.944 -3.674 -6.362 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.013 -5.298 -7.017 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.429 -3.134 -8.995 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.662 -3.252 -7.754 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.920 -4.646 -9.856 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 5.195 -5.410 -8.365 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.733 -5.662 -9.190 1.00 24.98 H new ATOM 471 N ILE A 30 -2.532 -3.975 -5.390 1.00 4.57 N ATOM 472 CA ILE A 30 -3.604 -4.327 -4.400 1.00 5.58 C ATOM 473 C ILE A 30 -5.042 -4.576 -5.037 1.00 7.26 C ATOM 474 O ILE A 30 -5.630 -5.572 -4.680 1.00 9.46 O ATOM 475 CB ILE A 30 -3.583 -3.414 -3.164 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.299 -3.620 -2.306 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.828 -3.677 -2.352 1.00 2.78 C ATOM 478 CD1 ILE A 30 -1.935 -2.416 -1.404 1.00 2.00 C ATOM 0 H ILE A 30 -2.159 -3.031 -5.287 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.346 -5.317 -4.024 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.566 -2.375 -3.492 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.433 -4.501 -1.679 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.461 -3.827 -2.972 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.829 -3.037 -1.470 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.709 -3.463 -2.957 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.846 -4.722 -2.042 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.029 -2.643 -0.842 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.766 -1.535 -2.024 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.753 -2.220 -0.711 1.00 2.00 H new ATOM 490 N GLN A 31 -5.501 -3.793 -6.002 1.00 7.06 N ATOM 491 CA GLN A 31 -6.581 -4.071 -6.856 1.00 8.67 C ATOM 492 C GLN A 31 -6.455 -5.251 -7.673 1.00 10.90 C ATOM 493 O GLN A 31 -7.292 -6.102 -7.620 1.00 9.63 O ATOM 494 CB GLN A 31 -6.780 -2.902 -7.862 1.00 9.12 C ATOM 495 CG GLN A 31 -8.121 -2.891 -8.555 1.00 10.76 C ATOM 496 CD GLN A 31 -8.437 -1.636 -9.363 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.605 -1.228 -9.487 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.421 -1.079 -9.966 1.00 14.76 N ATOM 0 H GLN A 31 -5.077 -2.886 -6.200 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.411 -4.220 -6.165 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.652 -1.958 -7.332 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.996 -2.953 -8.617 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.172 -3.752 -9.221 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.899 -3.023 -7.803 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.481 -1.452 -9.832 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.567 -0.271 -10.571 1.00 14.76 H new ATOM 507 N ASP A 32 -5.323 -5.492 -8.336 1.00 10.93 N ATOM 508 CA ASP A 32 -5.107 -6.692 -9.151 1.00 14.01 C ATOM 509 C ASP A 32 -5.327 -7.896 -8.287 1.00 14.04 C ATOM 510 O ASP A 32 -5.982 -8.832 -8.716 1.00 13.39 O ATOM 511 CB ASP A 32 -3.762 -6.647 -9.924 1.00 18.01 C ATOM 512 CG ASP A 32 -3.467 -7.839 -10.794 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.336 -8.359 -11.538 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.332 -8.322 -10.694 1.00 25.17 O ATOM 0 H ASP A 32 -4.525 -4.857 -8.324 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.836 -6.748 -9.959 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.753 -5.754 -10.549 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.953 -6.539 -9.202 1.00 18.01 H new ATOM 519 N LYS A 33 -4.818 -7.905 -7.031 1.00 14.22 N ATOM 520 CA LYS A 33 -4.898 -9.078 -6.160 1.00 14.00 C ATOM 521 C LYS A 33 -6.340 -9.272 -5.537 1.00 12.37 C ATOM 522 O LYS A 33 -6.973 -10.362 -5.576 1.00 12.17 O ATOM 523 CB LYS A 33 -3.943 -8.874 -4.920 1.00 18.62 C ATOM 524 CG LYS A 33 -2.461 -9.196 -5.170 1.00 24.00 C ATOM 525 CD LYS A 33 -2.130 -10.648 -5.159 1.00 27.61 C ATOM 526 CE LYS A 33 -0.594 -10.865 -5.288 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.237 -12.291 -5.254 1.00 30.06 N ATOM 0 H LYS A 33 -4.348 -7.105 -6.608 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.632 -9.935 -6.779 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.022 -7.839 -4.589 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.300 -9.499 -4.101 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.170 -8.778 -6.134 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.861 -8.695 -4.411 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.490 -11.101 -4.235 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.643 -11.149 -5.980 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.242 -10.425 -6.221 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.084 -10.344 -4.478 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.794 -12.393 -5.343 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.550 -12.706 -4.353 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.703 -12.784 -6.042 1.00 30.06 H new ATOM 541 N GLU A 34 -6.865 -8.184 -4.931 1.00 10.11 N ATOM 542 CA GLU A 34 -7.964 -8.234 -4.013 1.00 10.07 C ATOM 543 C GLU A 34 -9.274 -7.547 -4.576 1.00 9.32 C ATOM 544 O GLU A 34 -10.330 -7.602 -3.963 1.00 11.61 O ATOM 545 CB GLU A 34 -7.659 -7.459 -2.656 1.00 14.77 C ATOM 546 CG GLU A 34 -6.478 -7.958 -1.900 1.00 18.75 C ATOM 547 CD GLU A 34 -6.619 -9.388 -1.517 1.00 22.28 C ATOM 548 OE1 GLU A 34 -7.622 -9.849 -0.894 1.00 21.95 O ATOM 549 OE2 GLU A 34 -5.685 -10.174 -1.878 1.00 25.19 O ATOM 0 H GLU A 34 -6.511 -7.240 -5.087 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.110 -9.302 -3.852 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.507 -6.404 -2.884 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.537 -7.523 -2.013 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.581 -7.833 -2.507 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.342 -7.355 -1.002 1.00 18.75 H new ATOM 556 N GLY A 35 -9.223 -6.842 -5.708 1.00 7.22 N ATOM 557 CA GLY A 35 -10.513 -6.140 -6.190 1.00 6.29 C ATOM 558 C GLY A 35 -10.867 -5.012 -5.385 1.00 6.93 C ATOM 559 O GLY A 35 -12.049 -4.908 -5.073 1.00 7.41 O ATOM 0 H GLY A 35 -8.399 -6.719 -6.297 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.380 -5.816 -7.222 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.334 -6.856 -6.184 1.00 6.29 H new ATOM 563 N ILE A 36 -9.949 -4.126 -4.978 1.00 5.86 N ATOM 564 CA ILE A 36 -10.196 -2.952 -4.160 1.00 6.07 C ATOM 565 C ILE A 36 -9.888 -1.872 -5.104 1.00 6.36 C ATOM 566 O ILE A 36 -8.711 -1.759 -5.498 1.00 6.18 O ATOM 567 CB ILE A 36 -9.334 -2.895 -2.862 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.522 -4.126 -1.884 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.564 -1.625 -2.017 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.553 -4.201 -0.707 1.00 9.49 C ATOM 0 H ILE A 36 -8.965 -4.222 -5.229 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.207 -2.913 -3.754 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.324 -2.906 -3.272 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.538 -4.100 -1.491 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.428 -5.044 -2.465 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -8.930 -1.658 -1.131 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.315 -0.744 -2.609 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.610 -1.575 -1.713 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.777 -5.083 -0.107 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.531 -4.266 -1.081 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.658 -3.308 -0.091 1.00 9.49 H new ATOM 582 N PRO A 37 -10.810 -0.981 -5.430 1.00 8.65 N ATOM 583 CA PRO A 37 -10.460 0.243 -6.233 1.00 9.18 C ATOM 584 C PRO A 37 -9.385 1.162 -5.586 1.00 9.85 C ATOM 585 O PRO A 37 -9.601 1.418 -4.430 1.00 8.51 O ATOM 586 CB PRO A 37 -11.817 0.920 -6.471 1.00 11.42 C ATOM 587 CG PRO A 37 -12.817 -0.256 -6.450 1.00 9.27 C ATOM 588 CD PRO A 37 -12.186 -1.346 -5.555 1.00 8.33 C ATOM 0 HA PRO A 37 -9.960 -0.014 -7.167 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.042 1.652 -5.695 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.840 1.449 -7.424 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.782 0.061 -6.055 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.994 -0.634 -7.457 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.673 -1.385 -4.580 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.292 -2.334 -6.004 1.00 8.33 H new ATOM 596 N PRO A 38 -8.283 1.597 -6.234 1.00 8.71 N ATOM 597 CA PRO A 38 -7.340 2.584 -5.685 1.00 9.08 C ATOM 598 C PRO A 38 -7.879 3.918 -5.046 1.00 9.28 C ATOM 599 O PRO A 38 -7.204 4.609 -4.272 1.00 6.50 O ATOM 600 CB PRO A 38 -6.493 2.868 -6.910 1.00 10.31 C ATOM 601 CG PRO A 38 -6.412 1.526 -7.635 1.00 10.81 C ATOM 602 CD PRO A 38 -7.837 1.064 -7.519 1.00 12.00 C ATOM 0 HA PRO A 38 -6.856 2.169 -4.801 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.948 3.633 -7.539 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.503 3.231 -6.633 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -6.095 1.634 -8.672 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.713 0.839 -7.158 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.446 1.442 -8.340 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.906 -0.023 -7.545 1.00 12.00 H new ATOM 610 N ASP A 39 -9.149 4.302 -5.350 1.00 11.20 N ATOM 611 CA ASP A 39 -9.811 5.381 -4.683 1.00 14.96 C ATOM 612 C ASP A 39 -10.262 4.960 -3.292 1.00 13.99 C ATOM 613 O ASP A 39 -10.722 5.843 -2.538 1.00 13.75 O ATOM 614 CB ASP A 39 -11.037 5.818 -5.554 1.00 24.16 C ATOM 615 CG ASP A 39 -10.732 6.155 -6.986 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.851 6.987 -7.334 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.204 5.373 -7.863 1.00 35.55 O ATOM 0 H ASP A 39 -9.715 3.851 -6.069 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.124 6.219 -4.562 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.775 5.016 -5.538 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.500 6.687 -5.086 1.00 24.16 H new ATOM 622 N GLN A 40 -10.281 3.685 -2.957 1.00 11.60 N ATOM 623 CA GLN A 40 -10.850 3.164 -1.721 1.00 10.76 C ATOM 624 C GLN A 40 -9.787 2.613 -0.894 1.00 8.01 C ATOM 625 O GLN A 40 -10.099 2.033 0.193 1.00 8.96 O ATOM 626 CB GLN A 40 -11.852 2.096 -2.004 1.00 11.14 C ATOM 627 CG GLN A 40 -13.028 2.607 -2.789 1.00 14.85 C ATOM 628 CD GLN A 40 -14.029 1.536 -3.171 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.864 0.373 -2.758 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.991 1.855 -4.009 1.00 18.16 N ATOM 0 H GLN A 40 -9.889 2.957 -3.554 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.348 3.982 -1.200 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.372 1.289 -2.558 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.203 1.672 -1.063 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.537 3.373 -2.204 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.664 3.089 -3.696 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.094 2.820 -4.324 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.635 1.138 -4.344 1.00 18.16 H new ATOM 639 N GLN A 41 -8.539 2.858 -1.326 1.00 6.52 N ATOM 640 CA GLN A 41 -7.371 2.393 -0.629 1.00 3.87 C ATOM 641 C GLN A 41 -6.614 3.515 0.048 1.00 4.79 C ATOM 642 O GLN A 41 -6.250 4.486 -0.643 1.00 6.34 O ATOM 643 CB GLN A 41 -6.430 1.687 -1.641 1.00 4.20 C ATOM 644 CG GLN A 41 -6.940 0.396 -2.235 1.00 3.20 C ATOM 645 CD GLN A 41 -5.904 -0.299 -3.109 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.737 -0.382 -2.815 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.286 -0.688 -4.350 1.00 7.13 N ATOM 0 H GLN A 41 -8.332 3.387 -2.173 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.703 1.705 0.149 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.221 2.380 -2.456 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.482 1.484 -1.143 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.240 -0.276 -1.431 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.831 0.601 -2.828 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.267 -0.628 -4.624 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.593 -1.041 -5.010 1.00 7.13 H new ATOM 656 N ARG A 42 -6.227 3.390 1.301 1.00 5.73 N ATOM 657 CA ARG A 42 -5.266 4.156 2.024 1.00 6.97 C ATOM 658 C ARG A 42 -4.241 3.159 2.648 1.00 7.15 C ATOM 659 O ARG A 42 -4.621 2.231 3.330 1.00 7.33 O ATOM 660 CB ARG A 42 -5.960 5.064 3.031 1.00 13.23 C ATOM 661 CG ARG A 42 -4.941 5.933 3.751 1.00 21.27 C ATOM 662 CD ARG A 42 -5.616 6.985 4.664 1.00 26.14 C ATOM 663 NE ARG A 42 -6.437 8.003 3.873 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.697 8.321 4.098 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.544 7.617 4.844 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.129 9.481 3.614 1.00 36.39 N ATOM 0 H ARG A 42 -6.632 2.664 1.892 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.713 4.835 1.375 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.689 5.694 2.521 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.510 4.462 3.754 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.285 5.301 4.350 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.314 6.439 3.017 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.263 6.479 5.380 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -4.851 7.507 5.239 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.968 8.479 3.102 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.233 6.757 5.295 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.505 7.937 4.965 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.493 10.085 3.093 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.096 9.768 3.764 1.00 36.39 H new ATOM 680 N LEU A 43 -2.960 3.376 2.376 1.00 4.65 N ATOM 681 CA LEU A 43 -1.954 2.673 3.042 1.00 3.51 C ATOM 682 C LEU A 43 -1.429 3.473 4.272 1.00 5.56 C ATOM 683 O LEU A 43 -1.355 4.684 4.296 1.00 4.19 O ATOM 684 CB LEU A 43 -0.694 2.206 2.219 1.00 3.74 C ATOM 685 CG LEU A 43 -1.101 1.374 0.987 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.035 1.186 -0.032 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.803 0.076 1.329 1.00 6.41 C ATOM 0 H LEU A 43 -2.625 4.048 1.685 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.483 1.758 3.309 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.124 3.078 1.898 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.039 1.614 2.859 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.851 1.985 0.483 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.324 0.591 -0.872 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.365 2.160 -0.392 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.870 0.673 0.445 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.058 -0.453 0.411 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.144 -0.546 1.935 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.714 0.291 1.888 1.00 6.41 H new ATOM 699 N ILE A 44 -1.035 2.756 5.340 1.00 4.58 N ATOM 700 CA ILE A 44 -0.359 3.335 6.478 1.00 5.55 C ATOM 701 C ILE A 44 0.963 2.538 6.565 1.00 5.46 C ATOM 702 O ILE A 44 1.005 1.292 6.414 1.00 6.04 O ATOM 703 CB ILE A 44 -1.158 3.245 7.724 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.654 3.532 7.621 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.542 4.215 8.822 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.071 5.014 7.450 1.00 13.90 C ATOM 0 H ILE A 44 -1.186 1.751 5.422 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.193 4.406 6.359 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.092 2.190 7.990 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -3.051 2.968 6.777 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.137 3.145 8.518 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.130 4.148 9.737 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.487 3.923 9.030 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.560 5.240 8.453 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.157 5.082 7.389 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.718 5.592 8.304 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.631 5.413 6.536 1.00 13.90 H new ATOM 718 N PHE A 45 2.048 3.223 6.911 1.00 6.75 N ATOM 719 CA PHE A 45 3.286 2.620 7.253 1.00 4.70 C ATOM 720 C PHE A 45 3.979 3.441 8.394 1.00 6.34 C ATOM 721 O PHE A 45 4.144 4.667 8.355 1.00 5.45 O ATOM 722 CB PHE A 45 4.218 2.595 6.015 1.00 5.51 C ATOM 723 CG PHE A 45 5.436 1.828 6.298 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.373 0.448 6.540 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.627 2.449 6.618 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.510 -0.297 6.897 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.828 1.682 6.898 1.00 6.64 C ATOM 728 CZ PHE A 45 7.731 0.338 7.099 1.00 6.84 C ATOM 0 H PHE A 45 2.068 4.242 6.956 1.00 6.75 H new ATOM 0 HA PHE A 45 3.099 1.602 7.593 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.693 2.154 5.168 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.482 3.614 5.731 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.423 -0.057 6.449 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.666 3.527 6.661 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.435 -1.368 7.015 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.789 2.172 6.946 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.595 -0.230 7.412 1.00 6.84 H new ATOM 738 N ALA A 46 4.434 2.757 9.416 1.00 6.53 N ATOM 739 CA ALA A 46 4.987 3.390 10.622 1.00 7.15 C ATOM 740 C ALA A 46 4.217 4.608 11.174 1.00 9.00 C ATOM 741 O ALA A 46 4.779 5.632 11.545 1.00 11.15 O ATOM 742 CB ALA A 46 6.542 3.579 10.684 1.00 8.99 C ATOM 0 H ALA A 46 4.438 1.738 9.449 1.00 6.53 H new ATOM 0 HA ALA A 46 4.791 2.586 11.332 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.813 4.057 11.625 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.030 2.607 10.617 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.866 4.205 9.853 1.00 8.99 H new ATOM 748 N GLY A 47 2.851 4.491 11.237 1.00 9.35 N ATOM 749 CA GLY A 47 1.947 5.626 11.557 1.00 11.68 C ATOM 750 C GLY A 47 1.735 6.653 10.527 1.00 11.14 C ATOM 751 O GLY A 47 0.889 7.527 10.676 1.00 13.93 O ATOM 0 H GLY A 47 2.360 3.613 11.068 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.974 5.213 11.821 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.335 6.121 12.447 1.00 11.68 H new ATOM 755 N LYS A 48 2.456 6.603 9.355 1.00 10.47 N ATOM 756 CA LYS A 48 2.355 7.655 8.280 1.00 8.82 C ATOM 757 C LYS A 48 1.366 7.114 7.304 1.00 7.68 C ATOM 758 O LYS A 48 1.532 6.010 6.886 1.00 6.47 O ATOM 759 CB LYS A 48 3.704 7.877 7.555 1.00 9.74 C ATOM 760 CG LYS A 48 4.987 7.987 8.378 1.00 14.14 C ATOM 761 CD LYS A 48 6.196 8.445 7.530 1.00 16.32 C ATOM 762 CE LYS A 48 7.418 8.947 8.311 1.00 20.04 C ATOM 763 NZ LYS A 48 8.105 7.922 9.169 1.00 23.92 N ATOM 0 H LYS A 48 3.108 5.851 9.133 1.00 10.47 H new ATOM 0 HA LYS A 48 2.067 8.615 8.709 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.836 7.056 6.851 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.613 8.790 6.967 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.832 8.692 9.195 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.209 7.020 8.830 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.509 7.611 6.901 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.865 9.241 6.863 1.00 16.32 H new ATOM 0 HE2 LYS A 48 8.143 9.345 7.601 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.106 9.776 8.946 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.915 8.360 9.653 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.436 7.556 9.876 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.441 7.139 8.573 1.00 23.92 H new ATOM 777 N GLN A 49 0.416 7.904 6.911 1.00 8.89 N ATOM 778 CA GLN A 49 -0.459 7.609 5.760 1.00 7.18 C ATOM 779 C GLN A 49 0.397 7.769 4.494 1.00 8.23 C ATOM 780 O GLN A 49 1.161 8.749 4.407 1.00 9.70 O ATOM 781 CB GLN A 49 -1.681 8.598 5.674 1.00 11.67 C ATOM 782 CG GLN A 49 -2.414 8.676 7.007 1.00 15.82 C ATOM 783 CD GLN A 49 -3.767 9.451 7.068 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.606 9.226 7.945 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.906 10.515 6.190 1.00 20.67 N ATOM 0 H GLN A 49 0.203 8.790 7.370 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.863 6.602 5.866 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.331 9.590 5.388 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.368 8.266 4.896 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.601 7.656 7.343 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.738 9.131 7.731 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.199 10.681 5.473 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -4.715 11.132 6.261 1.00 20.67 H new ATOM 794 N LEU A 50 0.313 6.862 3.488 1.00 6.51 N ATOM 795 CA LEU A 50 1.241 6.897 2.338 1.00 7.41 C ATOM 796 C LEU A 50 0.542 7.704 1.222 1.00 8.27 C ATOM 797 O LEU A 50 -0.703 7.604 1.110 1.00 8.34 O ATOM 798 CB LEU A 50 1.840 5.498 1.745 1.00 7.13 C ATOM 799 CG LEU A 50 2.137 4.552 2.873 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.808 3.255 2.380 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.034 5.177 3.950 1.00 9.11 C ATOM 0 H LEU A 50 -0.377 6.111 3.452 1.00 6.51 H new ATOM 0 HA LEU A 50 2.150 7.353 2.730 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.123 5.047 1.059 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.748 5.694 1.174 1.00 7.13 H new ATOM 0 HG LEU A 50 1.165 4.321 3.309 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.004 2.601 3.230 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.147 2.748 1.677 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.748 3.497 1.884 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.216 4.448 4.740 1.00 9.11 H new ATOM 0 HD22 LEU A 50 3.984 5.474 3.505 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.541 6.053 4.371 1.00 9.11 H new ATOM 813 N GLU A 51 1.331 8.415 0.354 1.00 9.43 N ATOM 814 CA GLU A 51 0.880 9.332 -0.682 1.00 11.90 C ATOM 815 C GLU A 51 1.318 8.757 -2.022 1.00 11.49 C ATOM 816 O GLU A 51 2.366 8.149 -2.172 1.00 9.88 O ATOM 817 CB GLU A 51 1.382 10.797 -0.406 1.00 16.56 C ATOM 818 CG GLU A 51 0.924 11.325 1.014 1.00 26.06 C ATOM 819 CD GLU A 51 1.114 12.853 1.164 1.00 29.86 C ATOM 820 OE1 GLU A 51 0.108 13.530 0.778 1.00 32.13 O ATOM 821 OE2 GLU A 51 2.153 13.362 1.610 1.00 33.44 O ATOM 0 H GLU A 51 2.348 8.341 0.381 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.206 9.423 -0.691 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.470 10.825 -0.469 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.000 11.463 -1.180 1.00 16.56 H new ATOM 0 HG2 GLU A 51 -0.125 11.075 1.171 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.493 10.813 1.790 1.00 26.06 H new ATOM 828 N ASP A 52 0.429 8.928 -3.044 1.00 12.71 N ATOM 829 CA ASP A 52 0.410 8.259 -4.281 1.00 16.56 C ATOM 830 C ASP A 52 1.690 8.267 -5.076 1.00 15.83 C ATOM 831 O ASP A 52 2.113 7.224 -5.537 1.00 17.21 O ATOM 832 CB ASP A 52 -0.794 8.854 -5.077 1.00 21.05 C ATOM 833 CG ASP A 52 -2.072 8.954 -4.360 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.396 9.955 -3.662 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.794 7.914 -4.291 1.00 25.82 O ATOM 0 H ASP A 52 -0.333 9.601 -2.969 1.00 12.71 H new ATOM 0 HA ASP A 52 0.296 7.193 -4.086 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.517 9.851 -5.419 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.949 8.243 -5.966 1.00 21.05 H new ATOM 840 N GLY A 53 2.293 9.493 -5.187 1.00 15.00 N ATOM 841 CA GLY A 53 3.410 9.808 -6.020 1.00 11.77 C ATOM 842 C GLY A 53 4.711 9.758 -5.252 1.00 11.10 C ATOM 843 O GLY A 53 5.806 9.932 -5.798 1.00 11.25 O ATOM 0 H GLY A 53 1.967 10.300 -4.655 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.452 9.107 -6.853 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.277 10.802 -6.447 1.00 11.77 H new ATOM 847 N ARG A 54 4.663 9.389 -3.967 1.00 8.53 N ATOM 848 CA ARG A 54 5.866 9.066 -3.179 1.00 9.05 C ATOM 849 C ARG A 54 6.020 7.585 -3.410 1.00 8.96 C ATOM 850 O ARG A 54 5.175 6.925 -3.957 1.00 11.60 O ATOM 851 CB ARG A 54 5.805 9.407 -1.735 1.00 7.97 C ATOM 852 CG ARG A 54 5.761 10.861 -1.396 1.00 9.62 C ATOM 853 CD ARG A 54 6.961 11.679 -1.836 1.00 12.20 C ATOM 854 NE ARG A 54 6.696 13.183 -1.657 1.00 18.23 N ATOM 855 CZ ARG A 54 7.465 14.157 -2.223 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.584 13.934 -2.923 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.094 15.391 -2.070 1.00 23.38 N ATOM 0 H ARG A 54 3.793 9.305 -3.442 1.00 8.53 H new ATOM 0 HA ARG A 54 6.717 9.668 -3.499 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.922 8.930 -1.309 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.673 8.968 -1.244 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.867 11.292 -1.845 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.654 10.960 -0.316 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.837 11.388 -1.256 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.187 11.467 -2.881 1.00 12.20 H new ATOM 0 HE ARG A 54 5.902 13.468 -1.084 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.916 12.980 -3.064 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.105 14.718 -3.316 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.250 15.608 -1.540 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.646 16.144 -2.480 1.00 23.38 H new ATOM 871 N THR A 55 7.205 6.997 -3.139 1.00 9.05 N ATOM 872 CA THR A 55 7.607 5.616 -3.401 1.00 9.03 C ATOM 873 C THR A 55 7.852 4.915 -2.046 1.00 8.15 C ATOM 874 O THR A 55 7.903 5.509 -0.952 1.00 5.91 O ATOM 875 CB THR A 55 8.957 5.408 -4.231 1.00 11.15 C ATOM 876 OG1 THR A 55 10.125 5.887 -3.523 1.00 11.95 O ATOM 877 CG2 THR A 55 8.875 6.347 -5.491 1.00 11.71 C ATOM 0 H THR A 55 7.958 7.525 -2.697 1.00 9.05 H new ATOM 0 HA THR A 55 6.792 5.212 -4.002 1.00 9.03 H new ATOM 0 HB THR A 55 9.047 4.342 -4.440 1.00 11.15 H new ATOM 0 HG1 THR A 55 9.850 6.523 -2.830 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.781 6.236 -6.087 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.008 6.074 -6.093 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.779 7.383 -5.167 1.00 11.71 H new ATOM 885 N LEU A 56 8.069 3.574 -2.145 1.00 6.91 N ATOM 886 CA LEU A 56 8.361 2.735 -0.969 1.00 8.29 C ATOM 887 C LEU A 56 9.656 3.148 -0.262 1.00 8.05 C ATOM 888 O LEU A 56 9.753 3.277 0.943 1.00 10.17 O ATOM 889 CB LEU A 56 8.472 1.253 -1.415 1.00 6.60 C ATOM 890 CG LEU A 56 7.135 0.591 -1.982 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.310 -0.836 -2.341 1.00 9.85 C ATOM 892 CD2 LEU A 56 5.951 0.702 -1.078 1.00 8.64 C ATOM 0 H LEU A 56 8.045 3.062 -3.027 1.00 6.91 H new ATOM 0 HA LEU A 56 7.544 2.867 -0.260 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.243 1.182 -2.182 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.814 0.663 -0.565 1.00 6.60 H new ATOM 0 HG LEU A 56 6.932 1.181 -2.876 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.369 -1.234 -2.721 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.078 -0.926 -3.109 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.612 -1.399 -1.458 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.090 0.225 -1.546 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.169 0.209 -0.131 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.729 1.754 -0.897 1.00 8.64 H new ATOM 904 N SER A 57 10.686 3.454 -1.067 1.00 8.92 N ATOM 905 CA SER A 57 11.993 3.888 -0.602 1.00 9.00 C ATOM 906 C SER A 57 11.966 5.128 0.285 1.00 9.44 C ATOM 907 O SER A 57 12.637 5.116 1.320 1.00 10.91 O ATOM 908 CB SER A 57 12.979 4.208 -1.745 1.00 10.32 C ATOM 909 OG SER A 57 14.354 4.268 -1.380 1.00 13.59 O ATOM 0 H SER A 57 10.621 3.402 -2.084 1.00 8.92 H new ATOM 0 HA SER A 57 12.326 3.023 -0.028 1.00 9.00 H new ATOM 0 HB2 SER A 57 12.862 3.453 -2.522 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.697 5.165 -2.185 1.00 10.32 H new ATOM 0 HG SER A 57 14.894 4.474 -2.171 1.00 13.59 H new ATOM 915 N ASP A 58 11.143 6.138 -0.037 1.00 9.11 N ATOM 916 CA ASP A 58 10.945 7.375 0.688 1.00 7.91 C ATOM 917 C ASP A 58 10.445 7.106 2.120 1.00 9.12 C ATOM 918 O ASP A 58 10.858 7.747 3.093 1.00 8.61 O ATOM 919 CB ASP A 58 9.860 8.257 -0.043 1.00 8.41 C ATOM 920 CG ASP A 58 10.299 8.644 -1.462 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.221 9.487 -1.554 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.659 8.251 -2.459 1.00 11.70 O ATOM 0 H ASP A 58 10.562 6.095 -0.874 1.00 9.11 H new ATOM 0 HA ASP A 58 11.905 7.890 0.726 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.919 7.709 -0.091 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.674 9.160 0.539 1.00 8.41 H new ATOM 927 N TYR A 59 9.587 6.011 2.229 1.00 7.97 N ATOM 928 CA TYR A 59 8.825 5.715 3.371 1.00 8.45 C ATOM 929 C TYR A 59 9.608 4.742 4.287 1.00 10.98 C ATOM 930 O TYR A 59 9.163 4.464 5.413 1.00 12.95 O ATOM 931 CB TYR A 59 7.441 5.085 3.016 1.00 7.94 C ATOM 932 CG TYR A 59 6.510 6.224 2.678 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.213 7.263 3.611 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.935 6.318 1.355 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.366 8.319 3.282 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.986 7.334 1.135 1.00 6.52 C ATOM 937 CZ TYR A 59 4.674 8.316 2.067 1.00 6.76 C ATOM 938 OH TYR A 59 3.811 9.362 1.716 1.00 7.63 O ATOM 0 H TYR A 59 9.453 5.340 1.472 1.00 7.97 H new ATOM 0 HA TYR A 59 8.639 6.657 3.886 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.534 4.400 2.173 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.054 4.507 3.855 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.656 7.230 4.596 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.222 5.637 0.568 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.243 9.144 3.968 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.470 7.351 0.186 1.00 6.52 H new ATOM 0 HH TYR A 59 3.895 9.548 0.758 1.00 7.63 H new ATOM 948 N ASN A 60 10.776 4.313 3.804 1.00 12.38 N ATOM 949 CA ASN A 60 11.694 3.501 4.568 1.00 13.94 C ATOM 950 C ASN A 60 11.070 2.176 4.874 1.00 14.16 C ATOM 951 O ASN A 60 11.089 1.620 5.960 1.00 14.26 O ATOM 952 CB ASN A 60 12.354 4.189 5.778 1.00 19.23 C ATOM 953 CG ASN A 60 12.751 5.627 5.455 1.00 22.65 C ATOM 954 OD1 ASN A 60 12.434 6.605 6.135 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.606 5.728 4.429 1.00 24.09 N ATOM 0 H ASN A 60 11.104 4.527 2.862 1.00 12.38 H new ATOM 0 HA ASN A 60 12.560 3.330 3.929 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.665 4.181 6.623 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.237 3.626 6.081 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.014 6.632 4.192 1.00 24.09 H new ATOM 0 HD22 ASN A 60 13.849 4.901 3.885 1.00 24.09 H new ATOM 962 N ILE A 61 10.497 1.605 3.771 1.00 11.08 N ATOM 963 CA ILE A 61 10.012 0.257 3.590 1.00 11.78 C ATOM 964 C ILE A 61 11.132 -0.540 2.982 1.00 13.74 C ATOM 965 O ILE A 61 11.849 -0.001 2.055 1.00 14.60 O ATOM 966 CB ILE A 61 8.797 0.325 2.652 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.611 1.029 3.420 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.383 -1.087 2.068 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.270 1.244 2.596 1.00 11.42 C ATOM 0 H ILE A 61 10.364 2.155 2.922 1.00 11.08 H new ATOM 0 HA ILE A 61 9.707 -0.213 4.525 1.00 11.78 H new ATOM 0 HB ILE A 61 9.064 0.915 1.775 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.378 0.438 4.305 1.00 11.56 H new ATOM 0 HG13 ILE A 61 7.958 2.002 3.769 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.519 -0.971 1.414 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.215 -1.504 1.500 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.130 -1.760 2.887 1.00 13.29 H new ATOM 0 HD11 ILE A 61 5.530 1.736 3.227 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.474 1.866 1.725 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.885 0.278 2.270 1.00 11.42 H new ATOM 981 N GLN A 62 11.271 -1.785 3.366 1.00 13.97 N ATOM 982 CA GLN A 62 12.318 -2.693 3.057 1.00 15.52 C ATOM 983 C GLN A 62 11.696 -4.012 2.623 1.00 13.94 C ATOM 984 O GLN A 62 10.490 -4.117 2.523 1.00 12.15 O ATOM 985 CB GLN A 62 13.341 -2.823 4.204 1.00 19.53 C ATOM 986 CG GLN A 62 14.101 -1.492 4.463 1.00 26.38 C ATOM 987 CD GLN A 62 15.517 -1.837 5.049 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.313 -2.411 4.311 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.775 -1.438 6.303 1.00 32.71 N ATOM 0 H GLN A 62 10.571 -2.221 3.967 1.00 13.97 H new ATOM 0 HA GLN A 62 12.911 -2.310 2.227 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.827 -3.130 5.115 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.058 -3.608 3.963 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.201 -0.926 3.537 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.544 -0.866 5.160 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.052 -0.966 6.847 1.00 32.71 H new ATOM 0 HE22 GLN A 62 16.694 -1.606 6.713 1.00 32.71 H new ATOM 998 N LYS A 63 12.547 -5.051 2.277 1.00 11.73 N ATOM 999 CA LYS A 63 12.011 -6.290 1.884 1.00 11.97 C ATOM 1000 C LYS A 63 11.389 -6.933 3.071 1.00 10.41 C ATOM 1001 O LYS A 63 11.831 -6.849 4.245 1.00 9.59 O ATOM 1002 CB LYS A 63 13.077 -7.186 1.242 1.00 13.73 C ATOM 1003 CG LYS A 63 14.252 -7.647 2.175 1.00 16.98 C ATOM 1004 CD LYS A 63 15.303 -8.415 1.341 1.00 20.19 C ATOM 1005 CE LYS A 63 16.392 -9.002 2.173 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.277 -9.861 1.289 1.00 25.97 N ATOM 0 H LYS A 63 13.566 -4.998 2.281 1.00 11.73 H new ATOM 0 HA LYS A 63 11.249 -6.133 1.120 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.584 -8.075 0.848 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.504 -6.654 0.392 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.712 -6.782 2.652 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.869 -8.284 2.972 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.807 -9.212 0.787 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.739 -7.739 0.606 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.979 -8.210 2.639 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.969 -9.601 2.979 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.041 -10.276 1.860 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.710 -10.622 0.865 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 17.688 -9.275 0.535 1.00 25.97 H new ATOM 1020 N GLU A 64 10.185 -7.520 2.934 1.00 10.04 N ATOM 1021 CA GLU A 64 9.548 -8.357 3.981 1.00 10.94 C ATOM 1022 C GLU A 64 8.886 -7.561 5.108 1.00 9.74 C ATOM 1023 O GLU A 64 8.378 -8.174 6.074 1.00 9.42 O ATOM 1024 CB GLU A 64 10.438 -9.556 4.462 1.00 18.31 C ATOM 1025 CG GLU A 64 10.746 -10.584 3.409 1.00 24.16 C ATOM 1026 CD GLU A 64 11.725 -11.638 4.002 1.00 29.00 C ATOM 1027 OE1 GLU A 64 11.250 -12.513 4.788 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.905 -11.638 3.567 1.00 31.72 O ATOM 0 H GLU A 64 9.619 -7.429 2.090 1.00 10.04 H new ATOM 0 HA GLU A 64 8.707 -8.834 3.478 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.378 -9.159 4.846 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.936 -10.050 5.294 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.828 -11.068 3.076 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.190 -10.107 2.535 1.00 24.16 H new ATOM 1035 N SER A 65 8.712 -6.262 4.898 1.00 6.85 N ATOM 1036 CA SER A 65 7.996 -5.282 5.725 1.00 6.90 C ATOM 1037 C SER A 65 6.507 -5.567 5.786 1.00 4.72 C ATOM 1038 O SER A 65 5.916 -5.932 4.792 1.00 3.91 O ATOM 1039 CB SER A 65 8.091 -3.894 5.094 1.00 7.28 C ATOM 1040 OG SER A 65 9.432 -3.464 5.182 1.00 10.56 O ATOM 0 H SER A 65 9.104 -5.820 4.066 1.00 6.85 H new ATOM 0 HA SER A 65 8.452 -5.338 6.713 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.769 -3.926 4.053 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.432 -3.195 5.610 1.00 7.28 H new ATOM 0 HG SER A 65 9.462 -2.560 5.559 1.00 10.56 H new ATOM 1046 N THR A 66 5.856 -5.315 6.969 1.00 4.48 N ATOM 1047 CA THR A 66 4.395 -5.369 7.051 1.00 3.80 C ATOM 1048 C THR A 66 3.834 -3.919 7.098 1.00 4.60 C ATOM 1049 O THR A 66 3.996 -3.075 7.971 1.00 5.33 O ATOM 1050 CB THR A 66 3.888 -6.029 8.331 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.323 -7.371 8.227 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.339 -6.061 8.408 1.00 3.40 C ATOM 0 H THR A 66 6.324 -5.081 7.844 1.00 4.48 H new ATOM 0 HA THR A 66 4.069 -5.942 6.183 1.00 3.80 H new ATOM 0 HB THR A 66 4.251 -5.486 9.203 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.036 -7.870 9.020 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.031 -6.540 9.337 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.952 -5.042 8.380 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.944 -6.623 7.561 1.00 3.40 H new ATOM 1060 N LEU A 67 3.091 -3.575 6.008 1.00 4.17 N ATOM 1061 CA LEU A 67 2.407 -2.349 5.830 1.00 3.85 C ATOM 1062 C LEU A 67 0.933 -2.550 6.323 1.00 3.80 C ATOM 1063 O LEU A 67 0.395 -3.647 6.289 1.00 5.54 O ATOM 1064 CB LEU A 67 2.407 -2.065 4.307 1.00 7.18 C ATOM 1065 CG LEU A 67 3.626 -1.454 3.644 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.857 -2.402 3.459 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.286 -0.914 2.254 1.00 11.66 C ATOM 0 H LEU A 67 2.974 -4.206 5.215 1.00 4.17 H new ATOM 0 HA LEU A 67 2.869 -1.529 6.379 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.204 -3.010 3.802 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.563 -1.406 4.101 1.00 7.18 H new ATOM 0 HG LEU A 67 3.912 -0.672 4.347 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.667 -1.856 2.975 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.191 -2.759 4.433 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.572 -3.252 2.840 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.179 -0.482 1.803 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.920 -1.727 1.627 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.516 -0.147 2.340 1.00 11.66 H new ATOM 1079 N HIS A 68 0.139 -1.500 6.665 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.284 -1.688 7.041 1.00 4.17 C ATOM 1081 C HIS A 68 -2.041 -1.105 5.879 1.00 5.32 C ATOM 1082 O HIS A 68 -1.683 -0.095 5.327 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.705 -0.891 8.383 1.00 5.57 C ATOM 1084 CG HIS A 68 -3.148 -0.952 8.841 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -3.903 -2.119 8.784 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -3.951 -0.056 9.573 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -5.074 -1.867 9.411 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -5.146 -0.696 9.915 1.00 16.30 N ATOM 0 H HIS A 68 0.456 -0.531 6.687 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.488 -2.739 7.245 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.083 -1.263 9.197 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -1.448 0.158 8.239 1.00 5.57 H new ATOM 0 HD1 HIS A 68 -3.625 -3.000 8.351 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -3.687 0.960 9.828 1.00 12.79 H new ATOM 0 HE1 HIS A 68 -5.874 -2.589 9.479 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.145 -1.755 5.491 1.00 5.29 N ATOM 1097 CA LEU A 69 -3.988 -1.289 4.482 1.00 3.97 C ATOM 1098 C LEU A 69 -5.395 -1.092 5.098 1.00 5.07 C ATOM 1099 O LEU A 69 -5.981 -1.948 5.794 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.105 -2.296 3.288 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.357 -2.347 2.340 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.511 -1.074 1.477 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.230 -3.547 1.413 1.00 9.96 C ATOM 0 H LEU A 69 -3.449 -2.636 5.905 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.574 -0.360 4.090 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.239 -2.123 2.650 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -3.995 -3.294 3.711 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.238 -2.423 2.977 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.393 -1.168 0.843 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.622 -0.206 2.126 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.627 -0.949 0.852 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.096 -3.589 0.752 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.322 -3.452 0.817 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.181 -4.461 2.005 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.959 0.058 4.782 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.294 0.537 5.279 1.00 6.26 C ATOM 1117 C VAL A 70 -8.135 1.089 4.163 1.00 9.22 C ATOM 1118 O VAL A 70 -7.616 1.394 3.067 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.212 1.572 6.427 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.724 0.909 7.698 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.261 2.742 6.048 1.00 8.54 C ATOM 0 H VAL A 70 -5.511 0.726 4.155 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.768 -0.354 5.691 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.212 1.974 6.593 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.671 1.649 8.497 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.415 0.116 7.983 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.734 0.485 7.530 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.219 3.457 6.869 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.262 2.351 5.856 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.635 3.239 5.153 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.456 1.238 4.396 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.497 1.832 3.600 1.00 16.06 C ATOM 1133 C LEU A 71 -10.320 3.295 3.492 1.00 18.09 C ATOM 1134 O LEU A 71 -9.888 3.937 4.452 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.932 1.553 4.144 1.00 17.10 C ATOM 1136 CG LEU A 71 -13.119 2.148 3.403 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.208 1.548 1.995 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.456 2.046 4.127 1.00 19.57 C ATOM 0 H LEU A 71 -9.846 0.889 5.272 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.406 1.361 2.621 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.070 0.472 4.176 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.971 1.910 5.173 1.00 17.10 H new ATOM 0 HG LEU A 71 -12.924 3.219 3.347 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -14.060 1.978 1.469 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.293 1.771 1.446 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.334 0.468 2.067 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -15.236 2.499 3.515 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -14.695 0.997 4.303 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.394 2.569 5.081 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.727 3.933 2.312 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.741 5.356 2.136 1.00 25.83 C ATOM 1152 C ARG A 72 -12.089 5.750 1.641 1.00 27.74 C ATOM 1153 O ARG A 72 -12.480 5.462 0.514 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.609 5.810 1.213 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.449 7.325 0.942 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.296 7.618 -0.127 1.00 34.05 C ATOM 1157 NE ARG A 72 -8.336 9.086 -0.311 1.00 35.08 N ATOM 1158 CZ ARG A 72 -7.386 9.911 -0.860 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -6.430 9.325 -1.579 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -7.493 11.216 -0.710 1.00 35.02 N ATOM 0 H ARG A 72 -11.045 3.421 1.489 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.560 5.859 3.086 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.671 5.446 1.633 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.743 5.312 0.253 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.393 7.731 0.579 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.219 7.839 1.875 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.323 7.289 0.237 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.480 7.094 -1.065 1.00 34.05 H new ATOM 0 HE ARG A 72 -9.185 9.548 0.015 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.430 8.312 -1.698 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -5.698 9.889 -2.010 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -8.278 11.607 -0.189 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -6.791 11.835 -1.115 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.913 6.508 2.409 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.177 7.051 1.927 1.00 30.76 C ATOM 1176 C LEU A 73 -13.946 8.351 1.211 1.00 32.18 C ATOM 1177 O LEU A 73 -12.892 9.025 1.412 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.187 7.242 3.119 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.528 6.027 3.946 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.266 6.475 5.241 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -16.450 5.066 3.149 1.00 29.11 C ATOM 0 H LEU A 73 -12.706 6.751 3.378 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.614 6.343 1.223 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.778 8.000 3.788 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.115 7.643 2.712 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.604 5.507 4.198 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.514 5.599 5.840 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.620 7.138 5.817 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.182 7.002 4.974 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.685 4.196 3.762 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.372 5.583 2.884 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.941 4.743 2.241 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.833 8.764 0.336 1.00 33.82 N ATOM 1194 CA ARG A 74 -14.746 10.012 -0.467 1.00 35.33 C ATOM 1195 C ARG A 74 -14.641 11.310 0.418 1.00 36.22 C ATOM 1196 O ARG A 74 -13.861 12.187 0.153 1.00 36.70 O ATOM 1197 CB ARG A 74 -15.931 10.145 -1.491 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.666 11.282 -2.455 1.00 38.62 C ATOM 1199 CD ARG A 74 -16.449 11.220 -3.764 1.00 39.75 C ATOM 1200 NE ARG A 74 -15.808 10.084 -4.577 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.555 9.361 -5.413 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -17.905 9.376 -5.384 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -15.939 8.444 -6.145 1.00 41.93 N ATOM 0 H ARG A 74 -15.681 8.233 0.138 1.00 33.82 H new ATOM 0 HA ARG A 74 -13.816 9.925 -1.029 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -16.051 9.212 -2.042 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.864 10.322 -0.957 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.898 12.222 -1.955 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -14.601 11.299 -2.688 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -17.505 11.022 -3.580 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -16.391 12.167 -4.301 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.813 9.883 -4.477 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -18.394 9.957 -4.703 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -18.436 8.806 -6.043 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -14.931 8.313 -6.056 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.473 7.869 -6.797 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.346 11.355 1.584 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.365 12.496 2.469 1.00 36.07 C ATOM 1219 C GLY A 75 -14.396 12.359 3.640 1.00 36.16 C ATOM 1220 O GLY A 75 -14.456 13.130 4.574 1.00 36.26 O ATOM 0 H GLY A 75 -15.916 10.577 1.916 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.116 13.393 1.902 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.375 12.633 2.855 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.492 11.333 3.674 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.517 11.149 4.723 1.00 36.19 C ATOM 1226 C GLY A 76 -11.124 10.691 4.192 1.00 36.20 C ATOM 1227 O GLY A 76 -10.556 9.659 4.570 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.550 11.415 3.329 1.00 0.00 O ATOM 0 H GLY A 76 -13.444 10.617 2.949 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.401 12.084 5.270 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -12.890 10.409 5.431 1.00 36.19 H new TER 1232 GLY A 76