USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=18 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 55 THR OG1 : rot 138:sc= 0.949 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0.828 USER MOD Set 2.1: A 6 LYS NZ :NH3+ -168:sc= 0.452 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 135:sc= 0.426 USER MOD Single : A 1 MET CE :methyl 172:sc= -0.083 (180deg=-0.295) USER MOD Single : A 1 MET N :NH3+ 141:sc= 1.19 (180deg=0.985) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.115 F(o=-1.3!,f=-0.12) USER MOD Single : A 7 THR OG1 : rot -61:sc= 1.44 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.00838 USER MOD Single : A 11 LYS NZ :NH3+ 170:sc= 1.25 (180deg=1.1) USER MOD Single : A 14 THR OG1 : rot -84:sc= 0.515 USER MOD Single : A 20 SER OG : rot 180:sc= 0.111 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.141 K(o=-0.14,f=-3!) USER MOD Single : A 27 LYS NZ :NH3+ 143:sc= 1.5 (180deg=1.24) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.151 K(o=-0.15,f=-2.3!) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0645) USER MOD Single : A 40 GLN : amide:sc= 0.00463 K(o=0.0046,f=-1.3) USER MOD Single : A 41 GLN : amide:sc= 0.623 K(o=0.62,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 90:sc= 0.235 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 102:sc= 1.21 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=-0.0016) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.844 -4.536 -3.878 1.00 0.78 N ATOM 2 CA MET A 1 12.628 -5.260 -2.606 1.00 0.70 C ATOM 3 C MET A 1 11.228 -5.740 -2.431 1.00 0.62 C ATOM 4 O MET A 1 10.315 -5.253 -3.096 1.00 0.68 O ATOM 5 CB MET A 1 13.011 -4.354 -1.424 1.00 0.75 C ATOM 6 CG MET A 1 11.969 -3.264 -1.167 1.00 0.79 C ATOM 7 SD MET A 1 12.708 -1.772 -0.436 1.00 1.10 S ATOM 8 CE MET A 1 11.115 -0.909 -0.553 1.00 0.84 C ATOM 0 H1 MET A 1 13.479 -3.729 -3.714 1.00 0.78 H new ATOM 0 H2 MET A 1 13.273 -5.178 -4.574 1.00 0.78 H new ATOM 0 H3 MET A 1 11.932 -4.192 -4.241 1.00 0.78 H new ATOM 0 HA MET A 1 13.264 -6.144 -2.637 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.127 -4.961 -0.526 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.977 -3.890 -1.623 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.479 -3.003 -2.105 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.198 -3.650 -0.501 1.00 0.79 H new ATOM 0 HE1 MET A 1 11.181 0.048 -0.036 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.869 -0.739 -1.601 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.337 -1.517 -0.092 1.00 0.84 H new ATOM 20 N GLN A 2 11.018 -6.741 -1.556 1.00 0.59 N ATOM 21 CA GLN A 2 9.703 -7.271 -1.377 1.00 0.56 C ATOM 22 C GLN A 2 9.099 -6.491 -0.260 1.00 0.50 C ATOM 23 O GLN A 2 9.713 -6.170 0.756 1.00 0.60 O ATOM 24 CB GLN A 2 9.625 -8.783 -1.110 1.00 0.71 C ATOM 25 CG GLN A 2 9.835 -9.518 -2.436 1.00 1.15 C ATOM 26 CD GLN A 2 10.188 -10.981 -2.212 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.932 -11.272 -1.111 1.00 1.87 O flip ATOM 28 NE2 GLN A 2 9.742 -11.865 -2.943 1.00 1.72 N flip ATOM 0 H GLN A 2 11.742 -7.175 -0.984 1.00 0.59 H new ATOM 0 HA GLN A 2 9.157 -7.166 -2.315 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.385 -9.080 -0.387 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.657 -9.043 -0.681 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.930 -9.449 -3.039 1.00 1.15 H new ATOM 0 HG3 GLN A 2 10.631 -9.033 -3.000 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.187 -11.618 -3.762 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.927 -12.845 -2.730 1.00 1.72 H new ATOM 37 N ILE A 3 7.789 -6.210 -0.380 1.00 0.44 N ATOM 38 CA ILE A 3 7.097 -5.706 0.765 1.00 0.42 C ATOM 39 C ILE A 3 5.854 -6.521 0.859 1.00 0.40 C ATOM 40 O ILE A 3 5.602 -7.353 -0.012 1.00 0.50 O ATOM 41 CB ILE A 3 6.766 -4.245 0.698 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.879 -3.953 -0.524 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.964 -3.285 0.781 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.486 -2.494 -0.752 1.00 0.72 C ATOM 0 H ILE A 3 7.231 -6.324 -1.226 1.00 0.44 H new ATOM 0 HA ILE A 3 7.738 -5.790 1.643 1.00 0.42 H new ATOM 0 HB ILE A 3 6.210 -4.035 1.612 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.398 -4.309 -1.414 1.00 0.55 H new ATOM 0 HG13 ILE A 3 4.966 -4.541 -0.430 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.610 -2.256 0.723 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.487 -3.436 1.725 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.646 -3.481 -0.047 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.862 -2.420 -1.643 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.931 -2.128 0.111 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.385 -1.892 -0.888 1.00 0.72 H new ATOM 56 N PHE A 4 5.039 -6.296 1.906 1.00 0.37 N ATOM 57 CA PHE A 4 3.785 -6.969 2.047 1.00 0.38 C ATOM 58 C PHE A 4 2.710 -5.958 2.251 1.00 0.39 C ATOM 59 O PHE A 4 2.794 -5.034 3.058 1.00 0.60 O ATOM 60 CB PHE A 4 3.940 -7.845 3.302 1.00 0.45 C ATOM 61 CG PHE A 4 5.006 -8.885 3.316 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.212 -9.763 2.277 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.941 -8.876 4.325 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.296 -10.606 2.210 1.00 1.23 C ATOM 65 CE2 PHE A 4 7.097 -9.612 4.214 1.00 1.40 C ATOM 66 CZ PHE A 4 7.238 -10.540 3.210 1.00 0.85 C ATOM 0 H PHE A 4 5.251 -5.643 2.660 1.00 0.37 H new ATOM 0 HA PHE A 4 3.523 -7.563 1.172 1.00 0.38 H new ATOM 0 HB2 PHE A 4 4.113 -7.182 4.150 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.987 -8.345 3.477 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.488 -9.791 1.476 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.765 -8.286 5.212 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.405 -11.303 1.392 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.900 -9.460 4.920 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.083 -11.213 3.206 1.00 0.85 H new ATOM 76 N VAL A 5 1.618 -6.063 1.472 1.00 0.35 N ATOM 77 CA VAL A 5 0.425 -5.278 1.546 1.00 0.35 C ATOM 78 C VAL A 5 -0.607 -6.217 2.068 1.00 0.35 C ATOM 79 O VAL A 5 -1.132 -7.139 1.446 1.00 0.46 O ATOM 80 CB VAL A 5 0.037 -4.708 0.213 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.410 -4.183 0.229 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.975 -3.516 -0.040 1.00 0.56 C ATOM 0 H VAL A 5 1.568 -6.758 0.727 1.00 0.35 H new ATOM 0 HA VAL A 5 0.553 -4.407 2.188 1.00 0.35 H new ATOM 0 HB VAL A 5 0.112 -5.478 -0.555 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.660 -3.777 -0.751 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.091 -5.000 0.468 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.505 -3.400 0.981 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.735 -3.062 -1.001 1.00 0.56 H new ATOM 0 HG22 VAL A 5 0.847 -2.778 0.752 1.00 0.56 H new ATOM 0 HG23 VAL A 5 2.009 -3.862 -0.050 1.00 0.56 H new ATOM 92 N LYS A 6 -1.076 -6.038 3.316 1.00 0.36 N ATOM 93 CA LYS A 6 -2.042 -6.919 3.895 1.00 0.39 C ATOM 94 C LYS A 6 -3.381 -6.265 3.894 1.00 0.46 C ATOM 95 O LYS A 6 -3.433 -5.073 4.194 1.00 0.53 O ATOM 96 CB LYS A 6 -1.510 -7.076 5.329 1.00 0.54 C ATOM 97 CG LYS A 6 -2.437 -7.955 6.171 1.00 1.22 C ATOM 98 CD LYS A 6 -2.009 -8.136 7.629 1.00 1.37 C ATOM 99 CE LYS A 6 -0.779 -9.014 7.865 1.00 1.93 C ATOM 100 NZ LYS A 6 -1.033 -10.456 7.651 1.00 2.09 N ATOM 0 H LYS A 6 -0.783 -5.277 3.928 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.164 -7.867 3.371 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.513 -7.515 5.303 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.414 -6.095 5.794 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -3.438 -7.523 6.153 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -2.505 -8.937 5.703 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.814 -7.151 8.054 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.846 -8.562 8.182 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.021 -8.691 7.199 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -0.425 -8.863 8.885 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -0.232 -11.008 8.019 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -1.902 -10.733 8.150 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -1.143 -10.642 6.634 1.00 2.09 H new ATOM 114 N THR A 7 -4.461 -7.027 3.648 1.00 0.58 N ATOM 115 CA THR A 7 -5.799 -6.521 3.626 1.00 0.78 C ATOM 116 C THR A 7 -6.455 -6.627 4.960 1.00 0.94 C ATOM 117 O THR A 7 -6.198 -7.664 5.569 1.00 0.99 O ATOM 118 CB THR A 7 -6.719 -7.118 2.604 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.797 -8.534 2.682 1.00 0.90 O ATOM 120 CG2 THR A 7 -6.343 -6.605 1.203 1.00 0.92 C ATOM 0 H THR A 7 -4.402 -8.027 3.458 1.00 0.58 H new ATOM 0 HA THR A 7 -5.649 -5.481 3.337 1.00 0.78 H new ATOM 0 HB THR A 7 -7.733 -6.783 2.823 1.00 0.90 H new ATOM 0 HG1 THR A 7 -5.911 -8.920 2.521 1.00 0.90 H new ATOM 0 HG21 THR A 7 -7.014 -7.042 0.463 1.00 0.92 H new ATOM 0 HG22 THR A 7 -6.432 -5.519 1.177 1.00 0.92 H new ATOM 0 HG23 THR A 7 -5.316 -6.891 0.974 1.00 0.92 H new ATOM 128 N LEU A 8 -7.278 -5.651 5.383 1.00 1.17 N ATOM 129 CA LEU A 8 -8.199 -5.699 6.475 1.00 1.39 C ATOM 130 C LEU A 8 -9.193 -6.784 6.241 1.00 1.44 C ATOM 131 O LEU A 8 -9.601 -7.408 7.219 1.00 1.60 O ATOM 132 CB LEU A 8 -8.967 -4.386 6.700 1.00 1.66 C ATOM 133 CG LEU A 8 -9.556 -4.220 8.111 1.00 2.11 C ATOM 134 CD1 LEU A 8 -8.457 -3.901 9.139 1.00 2.53 C ATOM 135 CD2 LEU A 8 -10.561 -3.056 8.108 1.00 2.43 C ATOM 0 H LEU A 8 -7.299 -4.745 4.915 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.598 -5.882 7.366 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -8.297 -3.550 6.500 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -9.777 -4.326 5.973 1.00 1.66 H new ATOM 0 HG LEU A 8 -10.041 -5.157 8.386 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -8.904 -3.789 10.127 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -7.731 -4.714 9.159 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -7.956 -2.974 8.860 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -10.981 -2.935 9.107 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.053 -2.137 7.814 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -11.363 -3.269 7.401 1.00 2.43 H new ATOM 147 N THR A 9 -9.692 -7.064 5.023 1.00 1.41 N ATOM 148 CA THR A 9 -10.669 -8.063 4.725 1.00 1.51 C ATOM 149 C THR A 9 -10.046 -9.415 4.751 1.00 1.37 C ATOM 150 O THR A 9 -10.703 -10.403 5.078 1.00 1.62 O ATOM 151 CB THR A 9 -11.240 -7.857 3.353 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.496 -7.304 2.277 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.375 -6.837 3.548 1.00 2.08 C ATOM 0 H THR A 9 -9.391 -6.556 4.191 1.00 1.41 H new ATOM 0 HA THR A 9 -11.456 -7.985 5.475 1.00 1.51 H new ATOM 0 HB THR A 9 -11.427 -8.883 3.035 1.00 1.65 H new ATOM 0 HG1 THR A 9 -11.060 -7.262 1.477 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.847 -6.630 2.588 1.00 2.08 H new ATOM 0 HG22 THR A 9 -13.116 -7.244 4.236 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.967 -5.913 3.958 1.00 2.08 H new ATOM 161 N GLY A 10 -8.738 -9.592 4.490 1.00 1.18 N ATOM 162 CA GLY A 10 -8.182 -10.904 4.609 1.00 1.22 C ATOM 163 C GLY A 10 -6.764 -11.221 4.283 1.00 0.99 C ATOM 164 O GLY A 10 -6.008 -11.292 5.252 1.00 1.31 O ATOM 0 H GLY A 10 -8.087 -8.859 4.208 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -8.337 -11.212 5.643 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -8.795 -11.556 3.987 1.00 1.22 H new ATOM 168 N LYS A 11 -6.480 -11.323 2.973 1.00 0.73 N ATOM 169 CA LYS A 11 -5.199 -11.729 2.482 1.00 0.60 C ATOM 170 C LYS A 11 -4.070 -10.765 2.601 1.00 0.51 C ATOM 171 O LYS A 11 -4.256 -9.549 2.634 1.00 0.63 O ATOM 172 CB LYS A 11 -5.299 -12.226 1.029 1.00 0.75 C ATOM 173 CG LYS A 11 -5.335 -11.160 -0.068 1.00 0.87 C ATOM 174 CD LYS A 11 -5.523 -11.600 -1.521 1.00 1.04 C ATOM 175 CE LYS A 11 -6.681 -12.554 -1.820 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.573 -12.972 -3.235 1.00 1.40 N ATOM 0 H LYS A 11 -7.156 -11.119 2.237 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.932 -12.531 3.170 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -4.450 -12.882 0.836 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -6.199 -12.834 0.940 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -6.140 -10.466 0.173 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.403 -10.598 -0.012 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -5.657 -10.706 -2.130 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -4.600 -12.076 -1.852 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -6.640 -13.422 -1.162 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -7.637 -12.062 -1.640 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -7.242 -13.747 -3.420 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.797 -12.166 -3.853 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.604 -13.297 -3.428 1.00 1.40 H new ATOM 190 N THR A 12 -2.815 -11.250 2.588 1.00 0.49 N ATOM 191 CA THR A 12 -1.599 -10.537 2.345 1.00 0.48 C ATOM 192 C THR A 12 -1.136 -10.885 0.972 1.00 0.52 C ATOM 193 O THR A 12 -1.192 -12.019 0.499 1.00 0.72 O ATOM 194 CB THR A 12 -0.556 -10.900 3.360 1.00 0.64 C ATOM 195 OG1 THR A 12 -1.175 -10.999 4.634 1.00 0.77 O ATOM 196 CG2 THR A 12 0.451 -9.738 3.425 1.00 0.78 C ATOM 0 H THR A 12 -2.637 -12.239 2.765 1.00 0.49 H new ATOM 0 HA THR A 12 -1.771 -9.464 2.427 1.00 0.48 H new ATOM 0 HB THR A 12 -0.073 -11.840 3.094 1.00 0.64 H new ATOM 0 HG1 THR A 12 -0.860 -11.808 5.089 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.226 -9.969 4.156 1.00 0.78 H new ATOM 0 HG22 THR A 12 0.907 -9.596 2.445 1.00 0.78 H new ATOM 0 HG23 THR A 12 -0.066 -8.825 3.720 1.00 0.78 H new ATOM 204 N ILE A 13 -0.745 -9.852 0.204 1.00 0.48 N ATOM 205 CA ILE A 13 -0.204 -10.037 -1.107 1.00 0.55 C ATOM 206 C ILE A 13 1.204 -9.587 -0.916 1.00 0.51 C ATOM 207 O ILE A 13 1.579 -8.640 -0.226 1.00 0.56 O ATOM 208 CB ILE A 13 -0.874 -9.226 -2.177 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.427 -7.844 -1.791 1.00 1.15 C ATOM 210 CG2 ILE A 13 -2.054 -10.082 -2.668 1.00 1.13 C ATOM 211 CD1 ILE A 13 -1.891 -6.970 -2.955 1.00 1.55 C ATOM 0 H ILE A 13 -0.805 -8.877 0.496 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.330 -11.062 -1.457 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.100 -9.000 -2.911 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.266 -7.986 -1.110 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -0.656 -7.305 -1.240 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -2.589 -9.548 -3.453 1.00 1.13 H new ATOM 0 HG22 ILE A 13 -1.679 -11.027 -3.062 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -2.731 -10.279 -1.837 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -2.262 -6.020 -2.571 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -1.054 -6.787 -3.629 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.689 -7.479 -3.496 1.00 1.55 H new ATOM 223 N THR A 14 2.185 -10.223 -1.580 1.00 0.55 N ATOM 224 CA THR A 14 3.554 -9.810 -1.567 1.00 0.54 C ATOM 225 C THR A 14 3.724 -9.072 -2.849 1.00 0.55 C ATOM 226 O THR A 14 3.382 -9.538 -3.935 1.00 0.72 O ATOM 227 CB THR A 14 4.514 -10.962 -1.521 1.00 0.67 C ATOM 228 OG1 THR A 14 4.329 -11.721 -0.335 1.00 1.08 O ATOM 229 CG2 THR A 14 5.937 -10.386 -1.437 1.00 1.03 C ATOM 0 H THR A 14 2.019 -11.055 -2.146 1.00 0.55 H new ATOM 0 HA THR A 14 3.769 -9.216 -0.679 1.00 0.54 H new ATOM 0 HB THR A 14 4.355 -11.585 -2.401 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.825 -11.305 0.401 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.658 -11.202 -1.402 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.131 -9.767 -2.313 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.031 -9.780 -0.536 1.00 1.03 H new ATOM 237 N LEU A 15 4.260 -7.839 -2.852 1.00 0.50 N ATOM 238 CA LEU A 15 4.516 -7.015 -3.992 1.00 0.55 C ATOM 239 C LEU A 15 6.003 -6.911 -4.000 1.00 0.52 C ATOM 240 O LEU A 15 6.710 -6.896 -2.994 1.00 0.58 O ATOM 241 CB LEU A 15 3.971 -5.578 -3.909 1.00 0.69 C ATOM 242 CG LEU A 15 2.451 -5.463 -4.110 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.045 -3.987 -3.962 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.820 -6.056 -5.381 1.00 1.55 C ATOM 0 H LEU A 15 4.537 -7.382 -1.983 1.00 0.50 H new ATOM 0 HA LEU A 15 4.036 -7.456 -4.866 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.229 -5.160 -2.936 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.472 -4.968 -4.661 1.00 0.69 H new ATOM 0 HG LEU A 15 2.044 -6.110 -3.333 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.968 -3.890 -4.102 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.315 -3.633 -2.967 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.564 -3.390 -4.712 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.743 -5.889 -5.365 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.249 -5.573 -6.259 1.00 1.55 H new ATOM 0 HD23 LEU A 15 2.020 -7.127 -5.421 1.00 1.55 H new ATOM 256 N GLU A 16 6.553 -6.785 -5.221 1.00 0.59 N ATOM 257 CA GLU A 16 7.943 -6.488 -5.380 1.00 0.63 C ATOM 258 C GLU A 16 7.999 -5.088 -5.890 1.00 0.65 C ATOM 259 O GLU A 16 7.303 -4.745 -6.846 1.00 0.81 O ATOM 260 CB GLU A 16 8.640 -7.380 -6.421 1.00 0.76 C ATOM 261 CG GLU A 16 8.835 -8.859 -6.082 1.00 1.41 C ATOM 262 CD GLU A 16 9.358 -9.516 -7.350 1.00 1.52 C ATOM 263 OE1 GLU A 16 10.536 -9.242 -7.705 1.00 1.95 O ATOM 264 OE2 GLU A 16 8.602 -10.332 -7.942 1.00 1.92 O ATOM 0 H GLU A 16 6.038 -6.888 -6.095 1.00 0.59 H new ATOM 0 HA GLU A 16 8.448 -6.647 -4.427 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.068 -7.322 -7.347 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.621 -6.952 -6.625 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.541 -8.981 -5.260 1.00 1.41 H new ATOM 0 HG3 GLU A 16 7.896 -9.314 -5.766 1.00 1.41 H new ATOM 271 N VAL A 17 8.693 -4.200 -5.156 1.00 0.61 N ATOM 272 CA VAL A 17 8.767 -2.815 -5.507 1.00 0.63 C ATOM 273 C VAL A 17 10.144 -2.283 -5.307 1.00 0.65 C ATOM 274 O VAL A 17 11.023 -2.946 -4.758 1.00 0.76 O ATOM 275 CB VAL A 17 7.859 -1.953 -4.681 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.369 -2.266 -4.893 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.283 -1.978 -3.203 1.00 0.92 C ATOM 0 H VAL A 17 9.208 -4.445 -4.310 1.00 0.61 H new ATOM 0 HA VAL A 17 8.466 -2.774 -6.554 1.00 0.63 H new ATOM 0 HB VAL A 17 7.973 -0.928 -5.033 1.00 0.70 H new ATOM 0 HG11 VAL A 17 5.766 -1.608 -4.267 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.110 -2.109 -5.940 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.173 -3.304 -4.623 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.612 -1.346 -2.621 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.235 -3.000 -2.828 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.303 -1.605 -3.111 1.00 0.92 H new ATOM 287 N GLU A 18 10.448 -1.025 -5.671 1.00 0.68 N ATOM 288 CA GLU A 18 11.663 -0.371 -5.292 1.00 0.74 C ATOM 289 C GLU A 18 11.374 0.755 -4.359 1.00 0.71 C ATOM 290 O GLU A 18 10.190 1.059 -4.228 1.00 0.74 O ATOM 291 CB GLU A 18 12.177 0.238 -6.607 1.00 0.88 C ATOM 292 CG GLU A 18 12.766 -0.804 -7.559 1.00 1.16 C ATOM 293 CD GLU A 18 12.986 -0.210 -8.943 1.00 1.71 C ATOM 294 OE1 GLU A 18 12.894 1.043 -9.044 1.00 2.33 O ATOM 295 OE2 GLU A 18 13.134 -1.009 -9.906 1.00 2.35 O ATOM 0 H GLU A 18 9.833 -0.447 -6.244 1.00 0.68 H new ATOM 0 HA GLU A 18 12.360 -1.054 -4.806 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.358 0.756 -7.106 1.00 0.88 H new ATOM 0 HB3 GLU A 18 12.937 0.987 -6.382 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.712 -1.172 -7.162 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.095 -1.660 -7.628 1.00 1.16 H new ATOM 302 N PRO A 19 12.270 1.382 -3.656 1.00 0.74 N ATOM 303 CA PRO A 19 11.807 2.286 -2.644 1.00 0.74 C ATOM 304 C PRO A 19 11.603 3.648 -3.214 1.00 0.70 C ATOM 305 O PRO A 19 11.082 4.539 -2.546 1.00 0.74 O ATOM 306 CB PRO A 19 12.916 2.268 -1.595 1.00 0.86 C ATOM 307 CG PRO A 19 14.155 1.904 -2.429 1.00 0.95 C ATOM 308 CD PRO A 19 13.624 0.888 -3.453 1.00 0.82 C ATOM 0 HA PRO A 19 10.844 2.000 -2.221 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.027 3.235 -1.104 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.723 1.534 -0.813 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.579 2.781 -2.919 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.942 1.473 -1.809 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.206 0.889 -4.375 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.638 -0.132 -3.068 1.00 0.82 H new ATOM 316 N SER A 20 12.025 3.900 -4.467 1.00 0.70 N ATOM 317 CA SER A 20 11.811 5.076 -5.251 1.00 0.74 C ATOM 318 C SER A 20 10.495 5.166 -5.943 1.00 0.71 C ATOM 319 O SER A 20 10.157 6.148 -6.602 1.00 0.80 O ATOM 320 CB SER A 20 12.925 5.223 -6.301 1.00 0.89 C ATOM 321 OG SER A 20 13.345 3.967 -6.813 1.00 1.45 O ATOM 0 H SER A 20 12.571 3.208 -4.980 1.00 0.70 H new ATOM 0 HA SER A 20 11.822 5.887 -4.523 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.570 5.848 -7.121 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.777 5.736 -5.855 1.00 0.89 H new ATOM 0 HG SER A 20 14.052 4.105 -7.478 1.00 1.45 H new ATOM 327 N ASP A 21 9.662 4.133 -5.720 1.00 0.70 N ATOM 328 CA ASP A 21 8.326 4.115 -6.229 1.00 0.73 C ATOM 329 C ASP A 21 7.482 4.992 -5.372 1.00 0.64 C ATOM 330 O ASP A 21 7.546 4.956 -4.143 1.00 0.66 O ATOM 331 CB ASP A 21 7.742 2.693 -6.263 1.00 0.87 C ATOM 332 CG ASP A 21 8.495 1.884 -7.309 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.068 2.427 -8.291 1.00 1.50 O ATOM 334 OD2 ASP A 21 8.587 0.647 -7.090 1.00 1.69 O ATOM 0 H ASP A 21 9.917 3.304 -5.183 1.00 0.70 H new ATOM 0 HA ASP A 21 8.340 4.480 -7.256 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.833 2.223 -5.284 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.679 2.726 -6.503 1.00 0.87 H new ATOM 339 N THR A 22 6.597 5.800 -5.984 1.00 0.63 N ATOM 340 CA THR A 22 5.588 6.618 -5.388 1.00 0.58 C ATOM 341 C THR A 22 4.421 5.762 -5.033 1.00 0.53 C ATOM 342 O THR A 22 4.283 4.686 -5.612 1.00 0.58 O ATOM 343 CB THR A 22 5.272 7.835 -6.208 1.00 0.63 C ATOM 344 OG1 THR A 22 4.784 7.528 -7.506 1.00 0.70 O ATOM 345 CG2 THR A 22 6.517 8.731 -6.317 1.00 0.75 C ATOM 0 H THR A 22 6.591 5.886 -7.000 1.00 0.63 H new ATOM 0 HA THR A 22 5.957 7.049 -4.457 1.00 0.58 H new ATOM 0 HB THR A 22 4.471 8.361 -5.689 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.595 8.359 -7.990 1.00 0.70 H new ATOM 0 HG21 THR A 22 6.280 9.612 -6.913 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.830 9.041 -5.320 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.324 8.176 -6.795 1.00 0.75 H new ATOM 353 N ILE A 23 3.591 6.185 -4.063 1.00 0.51 N ATOM 354 CA ILE A 23 2.443 5.517 -3.531 1.00 0.48 C ATOM 355 C ILE A 23 1.356 5.262 -4.518 1.00 0.48 C ATOM 356 O ILE A 23 0.902 4.128 -4.659 1.00 0.51 O ATOM 357 CB ILE A 23 1.963 6.024 -2.203 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.122 6.192 -1.206 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.947 5.068 -1.557 1.00 0.61 C ATOM 360 CD1 ILE A 23 4.115 5.031 -1.199 1.00 0.73 C ATOM 0 H ILE A 23 3.741 7.085 -3.607 1.00 0.51 H new ATOM 0 HA ILE A 23 2.830 4.525 -3.298 1.00 0.48 H new ATOM 0 HB ILE A 23 1.496 6.987 -2.410 1.00 0.52 H new ATOM 0 HG12 ILE A 23 3.657 7.112 -1.440 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.710 6.309 -0.204 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.625 5.473 -0.598 1.00 0.61 H new ATOM 0 HG22 ILE A 23 0.083 4.958 -2.212 1.00 0.61 H new ATOM 0 HG23 ILE A 23 1.411 4.094 -1.402 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.900 5.228 -0.469 1.00 0.73 H new ATOM 0 HD12 ILE A 23 3.596 4.110 -0.934 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.558 4.925 -2.189 1.00 0.73 H new ATOM 372 N GLU A 24 0.995 6.257 -5.348 1.00 0.50 N ATOM 373 CA GLU A 24 0.164 6.059 -6.496 1.00 0.53 C ATOM 374 C GLU A 24 0.544 4.938 -7.401 1.00 0.50 C ATOM 375 O GLU A 24 -0.284 4.097 -7.749 1.00 0.55 O ATOM 376 CB GLU A 24 0.417 7.330 -7.325 1.00 0.64 C ATOM 377 CG GLU A 24 -0.483 7.550 -8.543 1.00 0.95 C ATOM 378 CD GLU A 24 -0.338 8.954 -9.113 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.776 9.445 -9.438 1.00 1.56 O ATOM 380 OE2 GLU A 24 -1.421 9.512 -9.436 1.00 1.62 O ATOM 0 H GLU A 24 1.288 7.225 -5.218 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.847 5.845 -6.148 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.313 8.192 -6.666 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.452 7.313 -7.666 1.00 0.64 H new ATOM 0 HG2 GLU A 24 -0.236 6.819 -9.313 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.522 7.378 -8.262 1.00 0.95 H new ATOM 387 N ASN A 25 1.866 4.790 -7.595 1.00 0.51 N ATOM 388 CA ASN A 25 2.452 3.779 -8.420 1.00 0.52 C ATOM 389 C ASN A 25 2.381 2.437 -7.776 1.00 0.47 C ATOM 390 O ASN A 25 2.366 1.427 -8.478 1.00 0.53 O ATOM 391 CB ASN A 25 3.941 4.036 -8.707 1.00 0.64 C ATOM 392 CG ASN A 25 3.879 5.168 -9.724 1.00 1.23 C ATOM 393 OD1 ASN A 25 2.853 5.788 -9.998 1.00 2.13 O ATOM 394 ND2 ASN A 25 5.029 5.360 -10.425 1.00 1.57 N ATOM 0 H ASN A 25 2.557 5.401 -7.158 1.00 0.51 H new ATOM 0 HA ASN A 25 1.877 3.809 -9.346 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.485 4.325 -7.808 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.437 3.153 -9.110 1.00 0.64 H new ATOM 0 HD21 ASN A 25 5.051 6.029 -11.195 1.00 1.57 H new ATOM 0 HD22 ASN A 25 5.869 4.835 -10.181 1.00 1.57 H new ATOM 401 N VAL A 26 2.367 2.338 -6.435 1.00 0.45 N ATOM 402 CA VAL A 26 2.126 1.139 -5.693 1.00 0.44 C ATOM 403 C VAL A 26 0.701 0.734 -5.862 1.00 0.40 C ATOM 404 O VAL A 26 0.349 -0.438 -5.985 1.00 0.44 O ATOM 405 CB VAL A 26 2.559 1.194 -4.258 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.441 -0.156 -3.530 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.053 1.557 -4.278 1.00 0.62 C ATOM 0 H VAL A 26 2.534 3.144 -5.833 1.00 0.45 H new ATOM 0 HA VAL A 26 2.767 0.363 -6.111 1.00 0.44 H new ATOM 0 HB VAL A 26 1.921 1.907 -3.736 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.771 -0.043 -2.497 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.403 -0.488 -3.545 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.066 -0.895 -4.031 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.428 1.612 -3.256 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.606 0.794 -4.826 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.186 2.522 -4.766 1.00 0.62 H new ATOM 417 N LYS A 27 -0.231 1.694 -5.724 1.00 0.40 N ATOM 418 CA LYS A 27 -1.618 1.416 -5.933 1.00 0.41 C ATOM 419 C LYS A 27 -2.045 0.969 -7.289 1.00 0.38 C ATOM 420 O LYS A 27 -3.080 0.320 -7.433 1.00 0.42 O ATOM 421 CB LYS A 27 -2.549 2.627 -5.753 1.00 0.51 C ATOM 422 CG LYS A 27 -2.467 3.202 -4.338 1.00 0.76 C ATOM 423 CD LYS A 27 -3.458 4.363 -4.242 1.00 0.82 C ATOM 424 CE LYS A 27 -3.592 4.874 -2.807 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.562 5.992 -2.769 1.00 1.11 N ATOM 0 H LYS A 27 -0.025 2.660 -5.469 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.708 0.628 -5.185 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.284 3.399 -6.475 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.576 2.331 -5.966 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.705 2.435 -3.601 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.455 3.546 -4.124 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -3.130 5.176 -4.889 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.433 4.040 -4.606 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.924 4.068 -2.152 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.623 5.207 -2.436 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -5.119 5.939 -1.892 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.050 6.897 -2.800 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.199 5.927 -3.588 1.00 1.11 H new ATOM 439 N ALA A 28 -1.163 1.183 -8.281 1.00 0.39 N ATOM 440 CA ALA A 28 -1.235 0.711 -9.629 1.00 0.39 C ATOM 441 C ALA A 28 -0.789 -0.709 -9.685 1.00 0.36 C ATOM 442 O ALA A 28 -1.355 -1.514 -10.423 1.00 0.42 O ATOM 443 CB ALA A 28 -0.300 1.508 -10.555 1.00 0.51 C ATOM 0 H ALA A 28 -0.322 1.738 -8.123 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.269 0.825 -9.956 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.380 1.123 -11.572 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.585 2.560 -10.542 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.728 1.407 -10.208 1.00 0.51 H new ATOM 449 N LYS A 29 0.204 -1.112 -8.872 1.00 0.39 N ATOM 450 CA LYS A 29 0.539 -2.500 -8.797 1.00 0.43 C ATOM 451 C LYS A 29 -0.546 -3.257 -8.110 1.00 0.44 C ATOM 452 O LYS A 29 -0.784 -4.406 -8.478 1.00 0.54 O ATOM 453 CB LYS A 29 1.853 -2.645 -8.011 1.00 0.54 C ATOM 454 CG LYS A 29 3.069 -2.146 -8.794 1.00 0.65 C ATOM 455 CD LYS A 29 3.362 -2.802 -10.144 1.00 1.08 C ATOM 456 CE LYS A 29 4.142 -1.926 -11.126 1.00 1.24 C ATOM 457 NZ LYS A 29 4.441 -2.669 -12.371 1.00 1.44 N ATOM 0 H LYS A 29 0.762 -0.496 -8.281 1.00 0.39 H new ATOM 0 HA LYS A 29 0.657 -2.903 -9.803 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.775 -2.090 -7.076 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.000 -3.693 -7.748 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.945 -1.076 -8.961 1.00 0.65 H new ATOM 0 HG3 LYS A 29 3.949 -2.270 -8.163 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.924 -3.720 -9.972 1.00 1.08 H new ATOM 0 HD3 LYS A 29 2.417 -3.089 -10.606 1.00 1.08 H new ATOM 0 HE2 LYS A 29 3.564 -1.032 -11.361 1.00 1.24 H new ATOM 0 HE3 LYS A 29 5.071 -1.593 -10.664 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 4.971 -2.056 -13.023 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.011 -3.509 -12.146 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 3.551 -2.965 -12.821 1.00 1.44 H new ATOM 471 N ILE A 30 -1.313 -2.775 -7.115 1.00 0.41 N ATOM 472 CA ILE A 30 -2.494 -3.392 -6.596 1.00 0.44 C ATOM 473 C ILE A 30 -3.628 -3.519 -7.556 1.00 0.45 C ATOM 474 O ILE A 30 -4.387 -4.487 -7.559 1.00 0.56 O ATOM 475 CB ILE A 30 -2.796 -2.738 -5.281 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.587 -2.724 -4.331 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.049 -3.367 -4.648 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.780 -2.058 -2.970 1.00 1.32 C ATOM 0 H ILE A 30 -1.093 -1.898 -6.643 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.310 -4.452 -6.420 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.014 -1.687 -5.472 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.277 -3.755 -4.162 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.763 -2.223 -4.839 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.257 -2.883 -3.694 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.900 -3.233 -5.316 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.879 -4.431 -4.485 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.852 -2.118 -2.401 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.052 -1.012 -3.112 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.574 -2.568 -2.425 1.00 1.32 H new ATOM 490 N GLN A 31 -3.780 -2.484 -8.400 1.00 0.41 N ATOM 491 CA GLN A 31 -4.700 -2.567 -9.492 1.00 0.48 C ATOM 492 C GLN A 31 -4.292 -3.510 -10.572 1.00 0.52 C ATOM 493 O GLN A 31 -5.185 -4.135 -11.143 1.00 0.66 O ATOM 494 CB GLN A 31 -4.793 -1.124 -10.014 1.00 0.52 C ATOM 495 CG GLN A 31 -5.872 -0.872 -11.070 1.00 0.70 C ATOM 496 CD GLN A 31 -5.651 0.515 -11.656 1.00 0.97 C ATOM 497 OE1 GLN A 31 -4.524 1.006 -11.655 1.00 1.70 O ATOM 498 NE2 GLN A 31 -6.710 1.254 -12.081 1.00 1.43 N ATOM 0 H GLN A 31 -3.274 -1.601 -8.329 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.655 -2.973 -9.157 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.976 -0.461 -9.168 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.827 -0.845 -10.434 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -5.821 -1.628 -11.854 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.864 -0.942 -10.624 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -7.646 0.849 -12.083 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -6.568 2.213 -12.398 1.00 1.43 H new ATOM 507 N ASP A 32 -2.990 -3.711 -10.844 1.00 0.50 N ATOM 508 CA ASP A 32 -2.516 -4.712 -11.749 1.00 0.60 C ATOM 509 C ASP A 32 -2.717 -6.061 -11.150 1.00 0.65 C ATOM 510 O ASP A 32 -3.144 -7.002 -11.816 1.00 0.81 O ATOM 511 CB ASP A 32 -1.012 -4.466 -11.959 1.00 0.67 C ATOM 512 CG ASP A 32 -0.486 -5.119 -13.229 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.006 -4.746 -14.316 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.575 -5.793 -13.144 1.00 1.51 O ATOM 0 H ASP A 32 -2.244 -3.160 -10.421 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.055 -4.664 -12.695 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -0.825 -3.393 -12.002 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.461 -4.851 -11.101 1.00 0.67 H new ATOM 519 N LYS A 33 -2.377 -6.271 -9.866 1.00 0.62 N ATOM 520 CA LYS A 33 -2.369 -7.582 -9.294 1.00 0.73 C ATOM 521 C LYS A 33 -3.717 -8.105 -8.934 1.00 0.69 C ATOM 522 O LYS A 33 -4.205 -9.039 -9.568 1.00 0.83 O ATOM 523 CB LYS A 33 -1.342 -7.653 -8.153 1.00 0.85 C ATOM 524 CG LYS A 33 -0.872 -9.091 -7.917 1.00 1.31 C ATOM 525 CD LYS A 33 0.004 -9.179 -6.667 1.00 1.71 C ATOM 526 CE LYS A 33 0.822 -10.472 -6.648 1.00 2.26 C ATOM 527 NZ LYS A 33 0.065 -11.699 -6.985 1.00 2.62 N ATOM 0 H LYS A 33 -2.106 -5.529 -9.221 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.047 -8.274 -10.072 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -0.485 -7.023 -8.392 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -1.783 -7.258 -7.238 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -1.736 -9.747 -7.808 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.312 -9.442 -8.784 1.00 1.31 H new ATOM 0 HD2 LYS A 33 0.676 -8.321 -6.631 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.623 -9.131 -5.777 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.650 -10.370 -7.350 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.258 -10.593 -5.656 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 0.662 -12.533 -6.815 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 -0.786 -11.756 -6.390 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 -0.214 -11.671 -7.987 1.00 2.62 H new ATOM 541 N GLU A 34 -4.408 -7.473 -7.968 1.00 0.63 N ATOM 542 CA GLU A 34 -5.637 -8.001 -7.460 1.00 0.67 C ATOM 543 C GLU A 34 -6.786 -7.408 -8.199 1.00 0.69 C ATOM 544 O GLU A 34 -7.695 -8.088 -8.670 1.00 0.95 O ATOM 545 CB GLU A 34 -5.588 -7.950 -5.924 1.00 0.73 C ATOM 546 CG GLU A 34 -4.772 -9.043 -5.228 1.00 0.83 C ATOM 547 CD GLU A 34 -5.505 -10.375 -5.297 1.00 0.95 C ATOM 548 OE1 GLU A 34 -6.449 -10.537 -4.478 1.00 1.48 O ATOM 549 OE2 GLU A 34 -5.127 -11.274 -6.094 1.00 1.37 O ATOM 0 H GLU A 34 -4.115 -6.595 -7.538 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.795 -9.062 -7.656 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -5.184 -6.982 -5.628 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -6.610 -7.997 -5.549 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -3.794 -9.133 -5.701 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -4.598 -8.769 -4.187 1.00 0.83 H new ATOM 556 N GLY A 35 -6.781 -6.078 -8.404 1.00 0.63 N ATOM 557 CA GLY A 35 -7.650 -5.386 -9.305 1.00 0.68 C ATOM 558 C GLY A 35 -8.478 -4.477 -8.463 1.00 0.76 C ATOM 559 O GLY A 35 -9.701 -4.593 -8.525 1.00 1.12 O ATOM 0 H GLY A 35 -6.138 -5.454 -7.916 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.078 -4.822 -10.042 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.278 -6.086 -9.856 1.00 0.68 H new ATOM 563 N ILE A 36 -7.791 -3.514 -7.824 1.00 0.70 N ATOM 564 CA ILE A 36 -8.393 -2.568 -6.936 1.00 0.76 C ATOM 565 C ILE A 36 -8.183 -1.169 -7.406 1.00 0.71 C ATOM 566 O ILE A 36 -7.037 -0.830 -7.696 1.00 0.73 O ATOM 567 CB ILE A 36 -7.982 -2.808 -5.513 1.00 0.88 C ATOM 568 CG1 ILE A 36 -7.993 -4.307 -5.170 1.00 0.91 C ATOM 569 CG2 ILE A 36 -8.715 -1.945 -4.472 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.598 -4.676 -3.741 1.00 1.16 C ATOM 0 H ILE A 36 -6.784 -3.389 -7.928 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.472 -2.719 -6.952 1.00 0.76 H new ATOM 0 HB ILE A 36 -6.950 -2.462 -5.447 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -8.994 -4.694 -5.359 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.318 -4.820 -5.855 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.350 -2.190 -3.474 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -8.529 -0.891 -4.677 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -9.786 -2.142 -4.525 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.643 -5.758 -3.619 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.583 -4.331 -3.543 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.285 -4.203 -3.040 1.00 1.16 H new ATOM 582 N PRO A 37 -9.187 -0.354 -7.535 1.00 0.75 N ATOM 583 CA PRO A 37 -9.015 0.999 -7.981 1.00 0.79 C ATOM 584 C PRO A 37 -8.219 1.985 -7.198 1.00 0.75 C ATOM 585 O PRO A 37 -8.462 1.864 -5.998 1.00 0.75 O ATOM 586 CB PRO A 37 -10.456 1.491 -8.097 1.00 0.95 C ATOM 587 CG PRO A 37 -11.288 0.265 -8.509 1.00 1.02 C ATOM 588 CD PRO A 37 -10.553 -0.822 -7.710 1.00 0.85 C ATOM 0 HA PRO A 37 -8.393 0.951 -8.875 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.806 1.900 -7.150 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.539 2.286 -8.838 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.337 0.356 -8.225 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.263 0.084 -9.584 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.033 -0.986 -6.745 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.572 -1.774 -8.241 1.00 0.85 H new ATOM 596 N PRO A 38 -7.262 2.770 -7.595 1.00 0.81 N ATOM 597 CA PRO A 38 -6.513 3.602 -6.699 1.00 0.85 C ATOM 598 C PRO A 38 -7.175 4.587 -5.799 1.00 0.89 C ATOM 599 O PRO A 38 -6.697 4.739 -4.676 1.00 0.99 O ATOM 600 CB PRO A 38 -5.636 4.397 -7.664 1.00 1.01 C ATOM 601 CG PRO A 38 -5.188 3.277 -8.617 1.00 1.25 C ATOM 602 CD PRO A 38 -6.497 2.495 -8.802 1.00 0.98 C ATOM 0 HA PRO A 38 -6.072 2.926 -5.966 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -6.190 5.182 -8.178 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.795 4.876 -7.162 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.807 3.668 -9.560 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.399 2.661 -8.185 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -7.032 2.822 -9.694 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.308 1.428 -8.917 1.00 0.98 H new ATOM 610 N ASP A 39 -8.297 5.271 -6.088 1.00 0.96 N ATOM 611 CA ASP A 39 -8.983 6.121 -5.165 1.00 1.11 C ATOM 612 C ASP A 39 -9.478 5.424 -3.944 1.00 1.00 C ATOM 613 O ASP A 39 -9.582 6.024 -2.876 1.00 1.14 O ATOM 614 CB ASP A 39 -10.244 6.807 -5.716 1.00 1.39 C ATOM 615 CG ASP A 39 -9.829 7.697 -6.879 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.194 8.717 -6.501 1.00 2.23 O ATOM 617 OD2 ASP A 39 -10.296 7.511 -8.034 1.00 2.25 O ATOM 0 H ASP A 39 -8.745 5.230 -7.004 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.195 6.843 -4.949 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.969 6.063 -6.046 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.726 7.398 -4.938 1.00 1.39 H new ATOM 622 N GLN A 40 -9.959 4.179 -4.107 1.00 0.87 N ATOM 623 CA GLN A 40 -10.600 3.455 -3.053 1.00 0.84 C ATOM 624 C GLN A 40 -9.541 3.071 -2.078 1.00 0.67 C ATOM 625 O GLN A 40 -9.862 2.901 -0.904 1.00 0.80 O ATOM 626 CB GLN A 40 -11.236 2.147 -3.556 1.00 0.95 C ATOM 627 CG GLN A 40 -12.522 2.234 -4.380 1.00 1.32 C ATOM 628 CD GLN A 40 -13.027 0.809 -4.547 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.045 0.169 -5.598 1.00 1.70 O ATOM 630 NE2 GLN A 40 -13.593 0.336 -3.404 1.00 2.02 N ATOM 0 H GLN A 40 -9.902 3.665 -4.986 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.380 4.084 -2.625 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.491 1.625 -4.157 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.440 1.521 -2.687 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.265 2.852 -3.875 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.331 2.694 -5.350 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -13.560 0.893 -2.550 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.051 -0.576 -3.401 1.00 2.02 H new ATOM 639 N GLN A 41 -8.266 2.885 -2.465 1.00 0.56 N ATOM 640 CA GLN A 41 -7.265 2.321 -1.613 1.00 0.51 C ATOM 641 C GLN A 41 -6.667 3.259 -0.623 1.00 0.49 C ATOM 642 O GLN A 41 -6.163 4.313 -1.010 1.00 0.65 O ATOM 643 CB GLN A 41 -6.068 1.783 -2.413 1.00 0.67 C ATOM 644 CG GLN A 41 -6.488 0.660 -3.364 1.00 0.69 C ATOM 645 CD GLN A 41 -5.260 0.365 -4.212 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.219 0.162 -3.586 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.322 0.213 -5.562 1.00 0.61 N ATOM 0 H GLN A 41 -7.922 3.133 -3.393 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.821 1.542 -1.091 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.616 2.594 -2.984 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -5.306 1.414 -1.726 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.805 -0.224 -2.811 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.330 0.966 -3.985 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.198 0.388 -6.055 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.493 -0.076 -6.081 1.00 0.61 H new ATOM 656 N ARG A 42 -6.817 2.943 0.675 1.00 0.47 N ATOM 657 CA ARG A 42 -6.086 3.572 1.731 1.00 0.55 C ATOM 658 C ARG A 42 -4.980 2.742 2.286 1.00 0.46 C ATOM 659 O ARG A 42 -5.207 1.765 2.997 1.00 0.52 O ATOM 660 CB ARG A 42 -7.093 3.882 2.850 1.00 0.73 C ATOM 661 CG ARG A 42 -8.248 4.833 2.530 1.00 1.04 C ATOM 662 CD ARG A 42 -9.354 4.881 3.586 1.00 1.28 C ATOM 663 NE ARG A 42 -10.149 6.096 3.252 1.00 1.69 N ATOM 664 CZ ARG A 42 -11.198 6.489 4.033 1.00 2.19 C ATOM 665 NH1 ARG A 42 -11.480 5.777 5.163 1.00 2.34 N ATOM 666 NH2 ARG A 42 -11.845 7.681 3.882 1.00 2.78 N ATOM 0 H ARG A 42 -7.467 2.228 1.000 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.610 4.464 1.325 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.521 2.937 3.186 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -6.540 4.299 3.692 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -7.847 5.838 2.399 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -8.688 4.539 1.577 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -9.971 3.983 3.553 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -8.938 4.945 4.591 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.906 6.643 2.426 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -10.911 4.967 5.411 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -12.259 6.055 5.760 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -11.550 8.333 3.155 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -12.623 7.920 4.496 1.00 2.78 H new ATOM 680 N LEU A 43 -3.695 3.097 2.105 1.00 0.46 N ATOM 681 CA LEU A 43 -2.577 2.392 2.651 1.00 0.42 C ATOM 682 C LEU A 43 -2.152 2.993 3.947 1.00 0.43 C ATOM 683 O LEU A 43 -1.771 4.162 3.915 1.00 0.55 O ATOM 684 CB LEU A 43 -1.422 2.325 1.637 1.00 0.55 C ATOM 685 CG LEU A 43 -1.711 1.443 0.410 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.594 1.640 -0.629 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.664 -0.037 0.823 1.00 1.12 C ATOM 0 H LEU A 43 -3.424 3.911 1.554 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.883 1.366 2.857 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -1.192 3.335 1.298 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.532 1.947 2.141 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.687 1.713 0.006 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.794 1.017 -1.501 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.559 2.687 -0.931 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.363 1.356 -0.192 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.869 -0.664 -0.045 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.675 -0.274 1.217 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.415 -0.225 1.591 1.00 1.12 H new ATOM 699 N ILE A 44 -2.165 2.295 5.096 1.00 0.42 N ATOM 700 CA ILE A 44 -1.659 2.799 6.336 1.00 0.46 C ATOM 701 C ILE A 44 -0.391 2.081 6.646 1.00 0.42 C ATOM 702 O ILE A 44 -0.305 0.856 6.569 1.00 0.53 O ATOM 703 CB ILE A 44 -2.675 2.651 7.429 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.874 3.525 7.024 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.087 3.109 8.774 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.051 3.322 7.978 1.00 1.27 C ATOM 0 H ILE A 44 -2.540 1.349 5.165 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.453 3.866 6.255 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.977 1.611 7.556 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.579 4.574 7.024 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.180 3.279 6.007 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.837 2.995 9.557 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.215 2.501 9.016 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.791 4.156 8.704 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.884 3.952 7.667 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.360 2.277 7.958 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.750 3.592 8.990 1.00 1.27 H new ATOM 718 N PHE A 45 0.692 2.798 6.991 1.00 0.42 N ATOM 719 CA PHE A 45 1.904 2.214 7.478 1.00 0.46 C ATOM 720 C PHE A 45 2.027 2.792 8.847 1.00 0.68 C ATOM 721 O PHE A 45 2.147 4.004 9.025 1.00 1.50 O ATOM 722 CB PHE A 45 3.169 2.538 6.666 1.00 0.56 C ATOM 723 CG PHE A 45 4.283 1.765 7.284 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.340 0.424 6.986 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.297 2.329 8.021 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.358 -0.365 7.468 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.332 1.534 8.457 1.00 1.33 C ATOM 728 CZ PHE A 45 6.440 0.215 8.086 1.00 1.02 C ATOM 0 H PHE A 45 0.727 3.816 6.930 1.00 0.42 H new ATOM 0 HA PHE A 45 1.841 1.127 7.424 1.00 0.46 H new ATOM 0 HB2 PHE A 45 3.039 2.261 5.620 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.380 3.607 6.689 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.574 -0.016 6.364 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.282 3.383 8.255 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.307 -1.439 7.361 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.081 1.959 9.109 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.344 -0.346 8.274 1.00 1.02 H new ATOM 738 N ALA A 46 1.933 1.882 9.833 1.00 0.81 N ATOM 739 CA ALA A 46 2.032 2.191 11.225 1.00 0.96 C ATOM 740 C ALA A 46 0.825 2.798 11.854 1.00 0.97 C ATOM 741 O ALA A 46 0.090 2.256 12.678 1.00 1.21 O ATOM 742 CB ALA A 46 3.387 2.814 11.601 1.00 1.20 C ATOM 0 H ALA A 46 1.782 0.890 9.652 1.00 0.81 H new ATOM 0 HA ALA A 46 2.029 1.222 11.724 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.405 3.028 12.670 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.188 2.117 11.357 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.529 3.740 11.043 1.00 1.20 H new ATOM 748 N GLY A 47 0.521 4.005 11.343 1.00 0.99 N ATOM 749 CA GLY A 47 -0.474 4.918 11.814 1.00 1.10 C ATOM 750 C GLY A 47 -1.028 5.890 10.831 1.00 1.03 C ATOM 751 O GLY A 47 -2.227 5.859 10.555 1.00 1.30 O ATOM 0 H GLY A 47 1.016 4.372 10.530 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.303 4.336 12.217 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.048 5.483 12.644 1.00 1.10 H new ATOM 755 N LYS A 48 -0.103 6.713 10.309 1.00 0.98 N ATOM 756 CA LYS A 48 -0.241 7.666 9.251 1.00 1.05 C ATOM 757 C LYS A 48 -0.467 7.001 7.937 1.00 0.84 C ATOM 758 O LYS A 48 0.262 6.151 7.427 1.00 0.81 O ATOM 759 CB LYS A 48 1.091 8.434 9.204 1.00 1.42 C ATOM 760 CG LYS A 48 1.258 9.244 10.491 1.00 1.61 C ATOM 761 CD LYS A 48 2.501 10.123 10.646 1.00 1.87 C ATOM 762 CE LYS A 48 3.763 9.477 10.073 1.00 2.22 C ATOM 763 NZ LYS A 48 4.958 10.263 10.453 1.00 2.55 N ATOM 0 H LYS A 48 0.850 6.708 10.672 1.00 0.98 H new ATOM 0 HA LYS A 48 -1.098 8.314 9.434 1.00 1.05 H new ATOM 0 HB2 LYS A 48 1.921 7.737 9.090 1.00 1.42 H new ATOM 0 HB3 LYS A 48 1.110 9.097 8.339 1.00 1.42 H new ATOM 0 HG2 LYS A 48 0.383 9.886 10.594 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.240 8.545 11.327 1.00 1.61 H new ATOM 0 HD2 LYS A 48 2.329 11.077 10.148 1.00 1.87 H new ATOM 0 HD3 LYS A 48 2.657 10.339 11.703 1.00 1.87 H new ATOM 0 HE2 LYS A 48 3.858 8.456 10.443 1.00 2.22 H new ATOM 0 HE3 LYS A 48 3.689 9.417 8.987 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 5.809 9.814 10.058 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 4.871 11.230 10.079 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 5.035 10.298 11.490 1.00 2.55 H new ATOM 777 N GLN A 49 -1.575 7.440 7.314 1.00 0.84 N ATOM 778 CA GLN A 49 -1.881 7.010 5.985 1.00 0.80 C ATOM 779 C GLN A 49 -0.941 7.648 5.021 1.00 0.72 C ATOM 780 O GLN A 49 -0.562 8.816 5.104 1.00 0.83 O ATOM 781 CB GLN A 49 -3.318 7.403 5.605 1.00 1.03 C ATOM 782 CG GLN A 49 -3.828 6.570 4.427 1.00 1.67 C ATOM 783 CD GLN A 49 -5.004 7.267 3.760 1.00 1.92 C ATOM 784 OE1 GLN A 49 -4.971 7.864 2.685 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.168 7.228 4.462 1.00 2.48 N ATOM 0 H GLN A 49 -2.251 8.084 7.724 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.782 5.925 5.946 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.975 7.263 6.464 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.352 8.461 5.347 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -3.026 6.421 3.704 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.131 5.582 4.775 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -6.209 6.736 5.355 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.000 7.690 4.096 1.00 2.48 H new ATOM 794 N LEU A 50 -0.572 6.858 3.997 1.00 0.69 N ATOM 795 CA LEU A 50 0.347 7.207 2.958 1.00 0.66 C ATOM 796 C LEU A 50 -0.320 8.044 1.921 1.00 0.72 C ATOM 797 O LEU A 50 -1.393 7.697 1.429 1.00 0.90 O ATOM 798 CB LEU A 50 0.985 6.003 2.246 1.00 0.65 C ATOM 799 CG LEU A 50 1.600 4.963 3.198 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.432 3.892 2.470 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.348 5.478 4.438 1.00 0.74 C ATOM 0 H LEU A 50 -0.940 5.913 3.888 1.00 0.69 H new ATOM 0 HA LEU A 50 1.141 7.754 3.467 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.228 5.515 1.632 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.760 6.364 1.570 1.00 0.65 H new ATOM 0 HG LEU A 50 0.698 4.509 3.608 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.838 3.189 3.198 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.798 3.357 1.763 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.251 4.370 1.932 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.725 4.632 5.013 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.183 6.105 4.125 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.667 6.062 5.057 1.00 0.74 H new ATOM 813 N GLU A 51 0.271 9.200 1.571 1.00 0.70 N ATOM 814 CA GLU A 51 -0.255 10.022 0.526 1.00 0.76 C ATOM 815 C GLU A 51 0.283 9.552 -0.782 1.00 0.77 C ATOM 816 O GLU A 51 1.466 9.236 -0.905 1.00 1.23 O ATOM 817 CB GLU A 51 0.173 11.490 0.697 1.00 0.88 C ATOM 818 CG GLU A 51 -0.063 11.994 2.122 1.00 1.35 C ATOM 819 CD GLU A 51 0.523 13.366 2.423 1.00 1.46 C ATOM 820 OE1 GLU A 51 1.313 13.934 1.622 1.00 1.89 O ATOM 821 OE2 GLU A 51 0.218 13.903 3.522 1.00 1.94 O ATOM 0 H GLU A 51 1.115 9.566 2.012 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.342 9.953 0.564 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.229 11.591 0.447 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.382 12.113 -0.004 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.137 12.025 2.307 1.00 1.35 H new ATOM 0 HG3 GLU A 51 0.360 11.273 2.821 1.00 1.35 H new ATOM 828 N ASP A 52 -0.529 9.711 -1.842 1.00 0.66 N ATOM 829 CA ASP A 52 -0.300 9.183 -3.151 1.00 0.65 C ATOM 830 C ASP A 52 0.946 9.608 -3.847 1.00 0.60 C ATOM 831 O ASP A 52 1.824 8.886 -4.318 1.00 0.62 O ATOM 832 CB ASP A 52 -1.501 9.611 -4.010 1.00 0.81 C ATOM 833 CG ASP A 52 -2.837 9.242 -3.381 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.260 8.070 -3.567 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.395 10.160 -2.721 1.00 1.44 O ATOM 0 H ASP A 52 -1.398 10.241 -1.781 1.00 0.66 H new ATOM 0 HA ASP A 52 -0.179 8.107 -3.023 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.464 10.689 -4.167 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.425 9.143 -4.992 1.00 0.81 H new ATOM 840 N GLY A 53 1.175 10.933 -3.817 1.00 0.68 N ATOM 841 CA GLY A 53 2.391 11.557 -4.239 1.00 0.73 C ATOM 842 C GLY A 53 3.547 11.661 -3.305 1.00 0.72 C ATOM 843 O GLY A 53 4.255 12.666 -3.333 1.00 0.97 O ATOM 0 H GLY A 53 0.480 11.600 -3.483 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.738 11.022 -5.123 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.141 12.569 -4.556 1.00 0.73 H new ATOM 847 N ARG A 54 3.795 10.605 -2.510 1.00 0.64 N ATOM 848 CA ARG A 54 5.066 10.496 -1.864 1.00 0.63 C ATOM 849 C ARG A 54 5.781 9.285 -2.355 1.00 0.59 C ATOM 850 O ARG A 54 5.145 8.431 -2.972 1.00 0.62 O ATOM 851 CB ARG A 54 4.820 10.101 -0.398 1.00 0.69 C ATOM 852 CG ARG A 54 4.015 11.130 0.400 1.00 0.82 C ATOM 853 CD ARG A 54 4.891 12.129 1.160 1.00 1.18 C ATOM 854 NE ARG A 54 4.046 13.139 1.857 1.00 1.50 N ATOM 855 CZ ARG A 54 4.312 13.677 3.083 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.529 13.569 3.692 1.00 2.48 N ATOM 857 NH2 ARG A 54 3.335 14.245 3.848 1.00 2.49 N ATOM 0 H ARG A 54 3.139 9.848 -2.318 1.00 0.64 H new ATOM 0 HA ARG A 54 5.602 11.431 -2.026 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.295 9.146 -0.373 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.782 9.948 0.092 1.00 0.69 H new ATOM 0 HG2 ARG A 54 3.361 11.675 -0.280 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.373 10.608 1.109 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.510 11.601 1.885 1.00 1.18 H new ATOM 0 HD3 ARG A 54 5.568 12.628 0.467 1.00 1.18 H new ATOM 0 HE ARG A 54 3.201 13.454 1.380 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.288 13.069 3.229 1.00 2.48 H new ATOM 0 HH12 ARG A 54 5.679 13.989 4.610 1.00 2.48 H new ATOM 0 HH21 ARG A 54 2.374 14.276 3.508 1.00 2.49 H new ATOM 0 HH22 ARG A 54 3.566 14.639 4.760 1.00 2.49 H new ATOM 871 N THR A 55 7.052 9.082 -1.965 1.00 0.63 N ATOM 872 CA THR A 55 7.760 7.858 -2.175 1.00 0.61 C ATOM 873 C THR A 55 7.774 6.917 -1.021 1.00 0.59 C ATOM 874 O THR A 55 7.563 7.339 0.116 1.00 0.64 O ATOM 875 CB THR A 55 9.206 7.929 -2.569 1.00 0.68 C ATOM 876 OG1 THR A 55 9.936 8.794 -1.712 1.00 0.75 O ATOM 877 CG2 THR A 55 9.286 8.425 -4.022 1.00 0.76 C ATOM 0 H THR A 55 7.605 9.794 -1.488 1.00 0.63 H new ATOM 0 HA THR A 55 7.153 7.513 -3.012 1.00 0.61 H new ATOM 0 HB THR A 55 9.651 6.938 -2.481 1.00 0.68 H new ATOM 0 HG1 THR A 55 10.798 8.384 -1.491 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.330 8.484 -4.329 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.755 7.731 -4.673 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.830 9.412 -4.095 1.00 0.76 H new ATOM 885 N LEU A 56 8.168 5.654 -1.260 1.00 0.58 N ATOM 886 CA LEU A 56 8.380 4.767 -0.157 1.00 0.59 C ATOM 887 C LEU A 56 9.554 5.174 0.666 1.00 0.64 C ATOM 888 O LEU A 56 9.604 5.020 1.885 1.00 0.70 O ATOM 889 CB LEU A 56 8.452 3.313 -0.652 1.00 0.60 C ATOM 890 CG LEU A 56 7.179 2.553 -1.062 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.628 1.230 -1.703 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.289 2.411 0.185 1.00 1.03 C ATOM 0 H LEU A 56 8.336 5.255 -2.184 1.00 0.58 H new ATOM 0 HA LEU A 56 7.525 4.833 0.516 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.122 3.301 -1.512 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.932 2.731 0.135 1.00 0.60 H new ATOM 0 HG LEU A 56 6.570 3.069 -1.804 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.752 0.658 -2.009 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.247 1.440 -2.575 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.204 0.652 -0.980 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.377 1.875 -0.078 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.827 1.857 0.955 1.00 1.03 H new ATOM 0 HD23 LEU A 56 6.032 3.400 0.563 1.00 1.03 H new ATOM 904 N SER A 57 10.596 5.764 0.056 1.00 0.68 N ATOM 905 CA SER A 57 11.696 6.269 0.816 1.00 0.75 C ATOM 906 C SER A 57 11.326 7.435 1.667 1.00 0.76 C ATOM 907 O SER A 57 12.170 7.740 2.508 1.00 0.84 O ATOM 908 CB SER A 57 12.819 6.580 -0.188 1.00 0.84 C ATOM 909 OG SER A 57 12.450 7.650 -1.047 1.00 1.19 O ATOM 0 H SER A 57 10.678 5.891 -0.953 1.00 0.68 H new ATOM 0 HA SER A 57 12.035 5.526 1.538 1.00 0.75 H new ATOM 0 HB2 SER A 57 13.731 6.838 0.350 1.00 0.84 H new ATOM 0 HB3 SER A 57 13.039 5.692 -0.781 1.00 0.84 H new ATOM 0 HG SER A 57 13.180 7.831 -1.676 1.00 1.19 H new ATOM 915 N ASP A 58 10.193 8.132 1.468 1.00 0.75 N ATOM 916 CA ASP A 58 9.778 9.223 2.295 1.00 0.78 C ATOM 917 C ASP A 58 9.348 8.849 3.671 1.00 0.77 C ATOM 918 O ASP A 58 9.586 9.514 4.678 1.00 0.86 O ATOM 919 CB ASP A 58 8.632 9.972 1.594 1.00 0.83 C ATOM 920 CG ASP A 58 8.550 11.439 1.988 1.00 1.23 C ATOM 921 OD1 ASP A 58 9.482 12.208 1.630 1.00 1.90 O ATOM 922 OD2 ASP A 58 7.646 11.832 2.772 1.00 1.86 O ATOM 0 H ASP A 58 9.545 7.930 0.707 1.00 0.75 H new ATOM 0 HA ASP A 58 10.661 9.849 2.426 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.764 9.899 0.515 1.00 0.83 H new ATOM 0 HB3 ASP A 58 7.687 9.484 1.833 1.00 0.83 H new ATOM 927 N TYR A 59 8.597 7.736 3.760 1.00 0.72 N ATOM 928 CA TYR A 59 8.039 7.148 4.938 1.00 0.73 C ATOM 929 C TYR A 59 9.000 6.165 5.513 1.00 0.76 C ATOM 930 O TYR A 59 8.919 5.685 6.643 1.00 0.89 O ATOM 931 CB TYR A 59 6.738 6.399 4.606 1.00 0.73 C ATOM 932 CG TYR A 59 5.614 7.328 4.298 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.038 7.994 5.354 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.241 7.534 2.990 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.007 8.862 5.077 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.121 8.297 2.752 1.00 0.70 C ATOM 937 CZ TYR A 59 3.596 9.046 3.778 1.00 0.74 C ATOM 938 OH TYR A 59 2.563 9.972 3.521 1.00 0.86 O ATOM 0 H TYR A 59 8.360 7.199 2.926 1.00 0.72 H new ATOM 0 HA TYR A 59 7.834 7.948 5.649 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.907 5.742 3.753 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.462 5.764 5.448 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.383 7.841 6.366 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.809 7.110 2.175 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.521 9.398 5.879 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.662 8.307 1.775 1.00 0.70 H new ATOM 0 HH TYR A 59 2.950 10.858 3.359 1.00 0.86 H new ATOM 948 N ASN A 60 10.062 5.878 4.740 1.00 0.74 N ATOM 949 CA ASN A 60 11.071 4.915 5.052 1.00 0.79 C ATOM 950 C ASN A 60 10.634 3.506 5.262 1.00 0.75 C ATOM 951 O ASN A 60 11.054 2.836 6.203 1.00 0.86 O ATOM 952 CB ASN A 60 12.032 5.198 6.219 1.00 0.95 C ATOM 953 CG ASN A 60 12.869 6.443 5.959 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.948 6.384 5.372 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.333 7.639 6.322 1.00 1.83 N ATOM 0 H ASN A 60 10.225 6.344 3.848 1.00 0.74 H new ATOM 0 HA ASN A 60 11.593 5.037 4.103 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.462 5.327 7.139 1.00 0.95 H new ATOM 0 HB3 ASN A 60 12.689 4.341 6.368 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.827 8.505 6.108 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.437 7.670 6.808 1.00 1.83 H new ATOM 962 N ILE A 61 9.850 3.010 4.287 1.00 0.67 N ATOM 963 CA ILE A 61 9.518 1.621 4.228 1.00 0.65 C ATOM 964 C ILE A 61 10.534 0.806 3.503 1.00 0.66 C ATOM 965 O ILE A 61 10.762 0.830 2.295 1.00 0.75 O ATOM 966 CB ILE A 61 8.145 1.453 3.645 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.132 2.135 4.580 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.813 -0.039 3.482 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.700 2.045 4.055 1.00 0.82 C ATOM 0 H ILE A 61 9.446 3.573 3.539 1.00 0.67 H new ATOM 0 HA ILE A 61 9.519 1.238 5.248 1.00 0.65 H new ATOM 0 HB ILE A 61 8.101 1.913 2.658 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.184 1.673 5.566 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.405 3.183 4.704 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.814 -0.145 3.058 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.541 -0.503 2.817 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.848 -0.528 4.456 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.025 2.542 4.752 1.00 0.82 H new ATOM 0 HD12 ILE A 61 5.638 2.531 3.081 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.414 0.998 3.957 1.00 0.82 H new ATOM 981 N GLN A 62 11.127 -0.140 4.252 1.00 0.67 N ATOM 982 CA GLN A 62 12.146 -1.042 3.812 1.00 0.70 C ATOM 983 C GLN A 62 11.576 -2.373 3.464 1.00 0.62 C ATOM 984 O GLN A 62 10.370 -2.610 3.523 1.00 0.64 O ATOM 985 CB GLN A 62 13.104 -1.186 5.007 1.00 0.85 C ATOM 986 CG GLN A 62 13.994 0.027 5.288 1.00 1.27 C ATOM 987 CD GLN A 62 15.123 -0.150 6.293 1.00 1.57 C ATOM 988 OE1 GLN A 62 15.221 -0.934 7.235 1.00 2.08 O ATOM 989 NE2 GLN A 62 16.107 0.767 6.090 1.00 2.16 N ATOM 0 H GLN A 62 10.877 -0.284 5.230 1.00 0.67 H new ATOM 0 HA GLN A 62 12.643 -0.667 2.917 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.515 -1.397 5.899 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.743 -2.052 4.835 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.432 0.350 4.343 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.356 0.839 5.638 1.00 1.27 H new ATOM 0 HE21 GLN A 62 16.039 1.424 5.313 1.00 2.16 H new ATOM 0 HE22 GLN A 62 16.912 0.798 6.715 1.00 2.16 H new ATOM 998 N LYS A 63 12.406 -3.354 3.066 1.00 0.64 N ATOM 999 CA LYS A 63 12.066 -4.721 2.815 1.00 0.62 C ATOM 1000 C LYS A 63 11.377 -5.467 3.905 1.00 0.59 C ATOM 1001 O LYS A 63 11.558 -5.287 5.108 1.00 0.66 O ATOM 1002 CB LYS A 63 13.354 -5.453 2.403 1.00 0.74 C ATOM 1003 CG LYS A 63 14.238 -5.807 3.600 1.00 0.89 C ATOM 1004 CD LYS A 63 15.611 -6.387 3.257 1.00 1.11 C ATOM 1005 CE LYS A 63 15.404 -7.684 2.471 1.00 1.47 C ATOM 1006 NZ LYS A 63 16.707 -8.381 2.389 1.00 2.12 N ATOM 0 H LYS A 63 13.397 -3.174 2.907 1.00 0.64 H new ATOM 0 HA LYS A 63 11.312 -4.695 2.028 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.093 -6.365 1.866 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.918 -4.827 1.712 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.382 -4.909 4.201 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.705 -6.525 4.223 1.00 0.89 H new ATOM 0 HD2 LYS A 63 16.188 -5.674 2.668 1.00 1.11 H new ATOM 0 HD3 LYS A 63 16.179 -6.581 4.167 1.00 1.11 H new ATOM 0 HE2 LYS A 63 14.665 -8.315 2.964 1.00 1.47 H new ATOM 0 HE3 LYS A 63 15.024 -7.468 1.473 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 16.593 -9.268 1.858 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 17.396 -7.772 1.903 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 17.048 -8.593 3.348 1.00 2.12 H new ATOM 1020 N GLU A 64 10.452 -6.364 3.517 1.00 0.57 N ATOM 1021 CA GLU A 64 9.795 -7.224 4.452 1.00 0.58 C ATOM 1022 C GLU A 64 8.885 -6.581 5.441 1.00 0.56 C ATOM 1023 O GLU A 64 8.696 -7.077 6.551 1.00 0.70 O ATOM 1024 CB GLU A 64 10.669 -8.274 5.158 1.00 0.72 C ATOM 1025 CG GLU A 64 11.595 -9.006 4.184 1.00 0.96 C ATOM 1026 CD GLU A 64 12.174 -10.286 4.772 1.00 1.18 C ATOM 1027 OE1 GLU A 64 12.676 -10.261 5.927 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.191 -11.306 4.034 1.00 1.69 O ATOM 0 H GLU A 64 10.158 -6.494 2.549 1.00 0.57 H new ATOM 0 HA GLU A 64 9.163 -7.755 3.740 1.00 0.58 H new ATOM 0 HB2 GLU A 64 11.267 -7.788 5.929 1.00 0.72 H new ATOM 0 HB3 GLU A 64 10.028 -8.998 5.661 1.00 0.72 H new ATOM 0 HG2 GLU A 64 11.043 -9.246 3.275 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.410 -8.342 3.896 1.00 0.96 H new ATOM 1035 N SER A 65 8.338 -5.427 5.019 1.00 0.51 N ATOM 1036 CA SER A 65 7.532 -4.616 5.879 1.00 0.51 C ATOM 1037 C SER A 65 6.096 -4.850 5.556 1.00 0.43 C ATOM 1038 O SER A 65 5.732 -5.009 4.392 1.00 0.50 O ATOM 1039 CB SER A 65 7.806 -3.120 5.649 1.00 0.65 C ATOM 1040 OG SER A 65 9.179 -2.770 5.754 1.00 1.04 O ATOM 0 H SER A 65 8.455 -5.054 4.077 1.00 0.51 H new ATOM 0 HA SER A 65 7.769 -4.881 6.910 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.443 -2.841 4.660 1.00 0.65 H new ATOM 0 HB3 SER A 65 7.235 -2.539 6.374 1.00 0.65 H new ATOM 0 HG SER A 65 9.559 -2.666 4.857 1.00 1.04 H new ATOM 1046 N THR A 66 5.144 -4.665 6.489 1.00 0.45 N ATOM 1047 CA THR A 66 3.758 -4.959 6.301 1.00 0.45 C ATOM 1048 C THR A 66 3.045 -3.651 6.275 1.00 0.43 C ATOM 1049 O THR A 66 2.991 -2.960 7.292 1.00 0.58 O ATOM 1050 CB THR A 66 3.066 -5.806 7.328 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.810 -7.013 7.397 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.610 -6.121 6.942 1.00 0.78 C ATOM 0 H THR A 66 5.351 -4.294 7.416 1.00 0.45 H new ATOM 0 HA THR A 66 3.724 -5.553 5.388 1.00 0.45 H new ATOM 0 HB THR A 66 3.024 -5.279 8.281 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.403 -7.611 8.059 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.153 -6.736 7.717 1.00 0.78 H new ATOM 0 HG22 THR A 66 1.051 -5.191 6.841 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.593 -6.660 5.994 1.00 0.78 H new ATOM 1060 N LEU A 67 2.400 -3.295 5.151 1.00 0.38 N ATOM 1061 CA LEU A 67 1.609 -2.122 4.942 1.00 0.38 C ATOM 1062 C LEU A 67 0.189 -2.555 5.068 1.00 0.37 C ATOM 1063 O LEU A 67 -0.186 -3.598 4.535 1.00 0.50 O ATOM 1064 CB LEU A 67 1.742 -1.563 3.514 1.00 0.46 C ATOM 1065 CG LEU A 67 3.008 -0.773 3.143 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.260 -1.610 3.456 1.00 1.40 C ATOM 1067 CD2 LEU A 67 2.996 -0.408 1.649 1.00 1.31 C ATOM 0 H LEU A 67 2.436 -3.880 4.316 1.00 0.38 H new ATOM 0 HA LEU A 67 1.929 -1.360 5.653 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.662 -2.402 2.822 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.884 -0.916 3.331 1.00 0.46 H new ATOM 0 HG LEU A 67 3.027 0.144 3.732 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.152 -1.043 3.190 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.283 -1.846 4.520 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.233 -2.535 2.880 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.899 0.151 1.404 1.00 1.31 H new ATOM 0 HD22 LEU A 67 2.960 -1.319 1.052 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.121 0.204 1.431 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.689 -1.822 5.774 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.038 -2.257 5.964 1.00 0.37 C ATOM 1081 C HIS A 68 -2.942 -1.562 5.005 1.00 0.35 C ATOM 1082 O HIS A 68 -3.043 -0.339 5.085 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.425 -1.791 7.378 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.621 -2.589 8.361 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.604 -3.957 8.538 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -0.603 -2.144 9.146 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.557 -4.274 9.345 1.00 1.41 C ATOM 1088 NE2 HIS A 68 0.101 -3.189 9.709 1.00 1.51 N ATOM 0 H HIS A 68 -0.466 -0.929 6.213 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.123 -3.334 5.821 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.226 -0.726 7.497 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.492 -1.937 7.549 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -0.374 -1.101 9.309 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -0.298 -5.278 9.648 1.00 1.41 H new ATOM 0 HE2 HIS A 68 0.944 -3.135 10.281 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.632 -2.252 4.079 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.586 -1.808 3.111 1.00 0.38 C ATOM 1098 C LEU A 69 -5.962 -1.774 3.680 1.00 0.41 C ATOM 1099 O LEU A 69 -6.567 -2.786 4.033 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.459 -2.559 1.774 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.482 -2.251 0.667 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.348 -0.809 0.151 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.234 -3.244 -0.480 1.00 1.14 C ATOM 0 H LEU A 69 -3.498 -3.260 4.004 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.354 -0.774 2.857 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.465 -2.360 1.373 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.509 -3.627 1.986 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.491 -2.352 1.067 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.088 -0.632 -0.629 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.513 -0.112 0.972 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.348 -0.660 -0.256 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -5.944 -3.054 -1.285 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.218 -3.120 -0.855 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -5.364 -4.262 -0.114 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.540 -0.559 3.678 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.895 -0.344 4.080 1.00 0.56 C ATOM 1117 C VAL A 70 -8.667 -0.055 2.839 1.00 0.55 C ATOM 1118 O VAL A 70 -8.022 0.465 1.930 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.935 0.787 5.065 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.353 1.016 5.615 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.034 0.589 6.297 1.00 0.97 C ATOM 0 H VAL A 70 -6.055 0.291 3.391 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.333 -1.210 4.577 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.576 1.637 4.484 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.339 1.843 6.325 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.028 1.255 4.793 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.699 0.113 6.118 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.124 1.453 6.956 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.342 -0.309 6.832 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -5.998 0.483 5.977 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.973 -0.367 2.767 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.612 -0.037 1.531 1.00 0.84 C ATOM 1133 C LEU A 71 -11.771 0.843 1.848 1.00 0.85 C ATOM 1134 O LEU A 71 -12.602 0.586 2.718 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.149 -1.363 0.966 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.814 -1.253 -0.416 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -10.750 -1.171 -1.524 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -12.854 -2.309 -0.826 1.00 2.78 C ATOM 0 H LEU A 71 -10.544 -0.806 3.489 1.00 0.73 H new ATOM 0 HA LEU A 71 -9.940 0.459 0.830 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -10.326 -2.074 0.902 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -11.872 -1.775 1.670 1.00 1.26 H new ATOM 0 HG LEU A 71 -12.395 -0.338 -0.302 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -11.240 -1.094 -2.494 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -10.124 -0.293 -1.363 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -10.131 -2.068 -1.501 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -13.224 -2.086 -1.827 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -12.391 -3.296 -0.822 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -13.685 -2.295 -0.120 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.985 1.990 1.180 1.00 0.92 N ATOM 1151 CA ARG A 72 -13.033 2.954 1.307 1.00 1.10 C ATOM 1152 C ARG A 72 -14.039 2.523 0.295 1.00 1.35 C ATOM 1153 O ARG A 72 -13.663 2.324 -0.859 1.00 1.56 O ATOM 1154 CB ARG A 72 -12.544 4.372 0.963 1.00 1.34 C ATOM 1155 CG ARG A 72 -13.582 5.450 1.284 1.00 1.65 C ATOM 1156 CD ARG A 72 -14.352 5.375 2.603 1.00 1.99 C ATOM 1157 NE ARG A 72 -15.321 6.507 2.623 1.00 2.54 N ATOM 1158 CZ ARG A 72 -16.249 6.720 3.601 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -16.394 5.855 4.647 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -16.831 7.953 3.668 1.00 3.75 N ATOM 0 H ARG A 72 -11.330 2.275 0.452 1.00 0.92 H new ATOM 0 HA ARG A 72 -13.419 2.997 2.325 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -11.628 4.580 1.516 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -12.294 4.418 -0.097 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -13.074 6.414 1.255 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -14.314 5.451 0.476 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -14.874 4.422 2.688 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -13.669 5.441 3.450 1.00 1.99 H new ATOM 0 HE ARG A 72 -15.288 7.171 1.849 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -15.801 5.027 4.710 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -17.095 6.036 5.365 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -16.568 8.678 3.000 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -17.529 8.149 4.386 1.00 3.75 H new ATOM 1174 N LEU A 73 -15.348 2.518 0.605 1.00 1.54 N ATOM 1175 CA LEU A 73 -16.372 2.243 -0.355 1.00 1.93 C ATOM 1176 C LEU A 73 -16.494 3.363 -1.330 1.00 2.13 C ATOM 1177 O LEU A 73 -16.379 4.561 -1.074 1.00 2.57 O ATOM 1178 CB LEU A 73 -17.769 1.949 0.216 1.00 2.23 C ATOM 1179 CG LEU A 73 -17.897 0.562 0.867 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -19.147 0.446 1.754 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -17.955 -0.494 -0.250 1.00 3.14 C ATOM 0 H LEU A 73 -15.702 2.709 1.542 1.00 1.54 H new ATOM 0 HA LEU A 73 -16.036 1.321 -0.830 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -18.016 2.711 0.955 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -18.503 2.033 -0.585 1.00 2.23 H new ATOM 0 HG LEU A 73 -17.032 0.404 1.512 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -19.192 -0.552 2.191 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -19.098 1.189 2.550 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -20.038 0.619 1.151 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -18.046 -1.486 0.192 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -18.817 -0.301 -0.889 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -17.043 -0.444 -0.845 1.00 3.14 H new ATOM 1193 N ARG A 74 -16.765 2.927 -2.573 1.00 2.32 N ATOM 1194 CA ARG A 74 -17.178 3.762 -3.658 1.00 2.55 C ATOM 1195 C ARG A 74 -18.651 3.651 -3.849 1.00 2.58 C ATOM 1196 O ARG A 74 -19.314 4.658 -4.089 1.00 3.08 O ATOM 1197 CB ARG A 74 -16.440 3.237 -4.901 1.00 3.29 C ATOM 1198 CG ARG A 74 -16.766 3.994 -6.190 1.00 4.01 C ATOM 1199 CD ARG A 74 -16.039 3.682 -7.499 1.00 4.67 C ATOM 1200 NE ARG A 74 -14.637 4.157 -7.333 1.00 5.36 N ATOM 1201 CZ ARG A 74 -13.600 3.981 -8.202 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -13.751 3.298 -9.375 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -12.429 4.575 -7.834 1.00 6.80 N ATOM 0 H ARG A 74 -16.692 1.944 -2.834 1.00 2.32 H new ATOM 0 HA ARG A 74 -16.947 4.811 -3.472 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -15.366 3.292 -4.722 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -16.687 2.184 -5.039 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -17.831 3.858 -6.378 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -16.611 5.053 -5.985 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -16.063 2.613 -7.710 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -16.521 4.183 -8.338 1.00 4.67 H new ATOM 0 HE ARG A 74 -14.430 4.670 -6.476 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -14.658 2.903 -9.622 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -12.956 3.183 -10.004 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -12.377 5.103 -6.963 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -11.605 4.491 -8.430 1.00 6.80 H new ATOM 1217 N GLY A 75 -19.203 2.424 -3.820 1.00 2.73 N ATOM 1218 CA GLY A 75 -20.569 2.208 -4.181 1.00 3.22 C ATOM 1219 C GLY A 75 -20.801 1.610 -5.525 1.00 3.16 C ATOM 1220 O GLY A 75 -21.478 2.193 -6.371 1.00 3.57 O ATOM 0 H GLY A 75 -18.701 1.580 -3.546 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -21.024 1.559 -3.433 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -21.092 3.163 -4.135 1.00 3.22 H new ATOM 1224 N GLY A 76 -20.362 0.360 -5.753 1.00 3.14 N ATOM 1225 CA GLY A 76 -20.515 -0.524 -6.866 1.00 3.37 C ATOM 1226 C GLY A 76 -19.946 -1.914 -6.615 1.00 3.48 C ATOM 1227 O GLY A 76 -19.098 -2.461 -7.367 1.00 3.87 O ATOM 1228 OXT GLY A 76 -20.394 -2.535 -5.615 1.00 3.70 O ATOM 0 H GLY A 76 -19.808 -0.100 -5.030 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -21.574 -0.611 -7.109 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -20.023 -0.090 -7.736 1.00 3.37 H new TER 1232 GLY A 76