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 25 ASN : amide:sc= 0.0205 K(o=0.04,f=-0.5) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -147:sc= 0.0192 (180deg=-0.152) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 1.02 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 6 LYS NZ :NH3+ 172:sc= 0.326 (180deg=-0.161) USER MOD Set 3.2: A 12 THR OG1 : rot 150:sc= 0.567 USER MOD Single : A 1 MET CE :methyl 172:sc=-0.000208 (180deg=-0.155) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.23 (180deg=0.998) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 11 LYS NZ :NH3+ -112:sc= 0.776 (180deg=-0.753) USER MOD Single : A 14 THR OG1 : rot -84:sc= 0.244 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0221 USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= 1.58 (180deg=0.559) USER MOD Single : A 31 GLN : amide:sc= -0.315 K(o=-0.31,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0535 K(o=-0.053,f=-0.83) USER MOD Single : A 41 GLN : amide:sc= -1.06 K(o=-1.1,f=-4.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.798 K(o=0.8,f=-7.5!) USER MOD Single : A 55 THR OG1 : rot -69:sc= 1.03 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 130:sc= 0.309 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 62 GLN : amide:sc=-0.00418 K(o=-0.0042,f=-0.95) USER MOD Single : A 63 LYS NZ :NH3+ 154:sc= 1.2 (180deg=1.14) USER MOD Single : A 65 SER OG : rot 84:sc= 0.446 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.951 -4.344 -3.896 1.00 0.78 N ATOM 2 CA MET A 1 12.703 -4.990 -2.588 1.00 0.70 C ATOM 3 C MET A 1 11.342 -5.596 -2.523 1.00 0.62 C ATOM 4 O MET A 1 10.522 -5.275 -3.381 1.00 0.68 O ATOM 5 CB MET A 1 12.816 -3.877 -1.533 1.00 0.75 C ATOM 6 CG MET A 1 11.698 -2.834 -1.455 1.00 0.79 C ATOM 7 SD MET A 1 12.054 -1.505 -0.267 1.00 1.10 S ATOM 8 CE MET A 1 10.516 -0.556 -0.448 1.00 0.84 C ATOM 0 H1 MET A 1 13.707 -3.637 -3.796 1.00 0.78 H new ATOM 0 H2 MET A 1 13.240 -5.063 -4.589 1.00 0.78 H new ATOM 0 H3 MET A 1 12.081 -3.877 -4.223 1.00 0.78 H new ATOM 0 HA MET A 1 13.420 -5.795 -2.423 1.00 0.70 H new ATOM 0 HB2 MET A 1 12.896 -4.353 -0.555 1.00 0.75 H new ATOM 0 HB3 MET A 1 13.753 -3.348 -1.707 1.00 0.75 H new ATOM 0 HG2 MET A 1 11.543 -2.400 -2.443 1.00 0.79 H new ATOM 0 HG3 MET A 1 10.767 -3.327 -1.174 1.00 0.79 H new ATOM 0 HE1 MET A 1 10.481 0.228 0.308 1.00 0.84 H new ATOM 0 HE2 MET A 1 10.481 -0.105 -1.440 1.00 0.84 H new ATOM 0 HE3 MET A 1 9.661 -1.221 -0.321 1.00 0.84 H new ATOM 20 N GLN A 2 10.911 -6.382 -1.521 1.00 0.59 N ATOM 21 CA GLN A 2 9.656 -7.045 -1.344 1.00 0.56 C ATOM 22 C GLN A 2 8.939 -6.294 -0.276 1.00 0.50 C ATOM 23 O GLN A 2 9.527 -5.778 0.674 1.00 0.60 O ATOM 24 CB GLN A 2 10.003 -8.487 -0.938 1.00 0.71 C ATOM 25 CG GLN A 2 8.769 -9.306 -0.559 1.00 1.15 C ATOM 26 CD GLN A 2 9.144 -10.767 -0.358 1.00 1.30 C ATOM 27 OE1 GLN A 2 9.245 -11.199 0.790 1.00 1.87 O ATOM 28 NE2 GLN A 2 9.512 -11.485 -1.453 1.00 1.72 N ATOM 0 H GLN A 2 11.528 -6.575 -0.732 1.00 0.59 H new ATOM 0 HA GLN A 2 9.016 -7.076 -2.226 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.521 -8.978 -1.762 1.00 0.71 H new ATOM 0 HB3 GLN A 2 10.694 -8.467 -0.095 1.00 0.71 H new ATOM 0 HG2 GLN A 2 8.327 -8.908 0.355 1.00 1.15 H new ATOM 0 HG3 GLN A 2 8.014 -9.222 -1.341 1.00 1.15 H new ATOM 0 HE21 GLN A 2 9.409 -11.083 -2.385 1.00 1.72 H new ATOM 0 HE22 GLN A 2 9.891 -12.425 -1.342 1.00 1.72 H new ATOM 37 N ILE A 3 7.626 -6.037 -0.410 1.00 0.44 N ATOM 38 CA ILE A 3 6.844 -5.536 0.678 1.00 0.42 C ATOM 39 C ILE A 3 5.637 -6.409 0.715 1.00 0.40 C ATOM 40 O ILE A 3 5.408 -7.167 -0.227 1.00 0.50 O ATOM 41 CB ILE A 3 6.452 -4.088 0.657 1.00 0.48 C ATOM 42 CG1 ILE A 3 5.874 -3.699 -0.714 1.00 0.55 C ATOM 43 CG2 ILE A 3 7.643 -3.248 1.147 1.00 0.61 C ATOM 44 CD1 ILE A 3 4.791 -2.642 -0.507 1.00 0.72 C ATOM 0 H ILE A 3 7.104 -6.177 -1.275 1.00 0.44 H new ATOM 0 HA ILE A 3 7.469 -5.571 1.571 1.00 0.42 H new ATOM 0 HB ILE A 3 5.635 -3.883 1.349 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.662 -3.311 -1.360 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.457 -4.575 -1.211 1.00 0.55 H new ATOM 0 HG21 ILE A 3 7.372 -2.192 1.137 1.00 0.61 H new ATOM 0 HG22 ILE A 3 7.905 -3.546 2.162 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.497 -3.410 0.490 1.00 0.61 H new ATOM 0 HD11 ILE A 3 4.372 -2.357 -1.472 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.002 -3.049 0.125 1.00 0.72 H new ATOM 0 HD13 ILE A 3 5.225 -1.765 -0.026 1.00 0.72 H new ATOM 56 N PHE A 4 4.866 -6.311 1.812 1.00 0.37 N ATOM 57 CA PHE A 4 3.662 -7.053 2.024 1.00 0.38 C ATOM 58 C PHE A 4 2.541 -6.093 2.235 1.00 0.39 C ATOM 59 O PHE A 4 2.636 -5.190 3.066 1.00 0.60 O ATOM 60 CB PHE A 4 3.632 -7.852 3.337 1.00 0.45 C ATOM 61 CG PHE A 4 4.600 -8.978 3.207 1.00 0.51 C ATOM 62 CD1 PHE A 4 4.244 -9.955 2.308 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.793 -8.955 3.889 1.00 1.30 C ATOM 64 CE1 PHE A 4 5.201 -10.935 2.184 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.736 -9.902 3.566 1.00 1.40 C ATOM 66 CZ PHE A 4 6.511 -10.844 2.591 1.00 0.85 C ATOM 0 H PHE A 4 5.092 -5.686 2.586 1.00 0.37 H new ATOM 0 HA PHE A 4 3.590 -7.710 1.158 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.899 -7.214 4.179 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.629 -8.231 3.531 1.00 0.45 H new ATOM 0 HD1 PHE A 4 3.314 -9.953 1.759 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.984 -8.217 4.654 1.00 1.30 H new ATOM 0 HE1 PHE A 4 4.895 -11.863 1.724 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.679 -9.906 4.093 1.00 1.40 H new ATOM 0 HZ PHE A 4 7.297 -11.460 2.179 1.00 0.85 H new ATOM 76 N VAL A 5 1.478 -6.234 1.425 1.00 0.35 N ATOM 77 CA VAL A 5 0.285 -5.474 1.634 1.00 0.35 C ATOM 78 C VAL A 5 -0.844 -6.304 2.139 1.00 0.35 C ATOM 79 O VAL A 5 -1.330 -7.166 1.408 1.00 0.46 O ATOM 80 CB VAL A 5 -0.270 -4.802 0.414 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.432 -3.875 0.806 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.792 -3.868 -0.193 1.00 0.56 C ATOM 0 H VAL A 5 1.443 -6.871 0.629 1.00 0.35 H new ATOM 0 HA VAL A 5 0.626 -4.731 2.355 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.582 -5.584 -0.278 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.829 -3.391 -0.087 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.219 -4.460 1.282 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -1.073 -3.116 1.501 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.385 -3.382 -1.079 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.073 -3.111 0.540 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.672 -4.449 -0.470 1.00 0.56 H new ATOM 92 N LYS A 6 -1.279 -6.096 3.395 1.00 0.36 N ATOM 93 CA LYS A 6 -2.249 -6.911 4.057 1.00 0.39 C ATOM 94 C LYS A 6 -3.545 -6.177 4.027 1.00 0.46 C ATOM 95 O LYS A 6 -3.537 -4.983 4.321 1.00 0.53 O ATOM 96 CB LYS A 6 -1.751 -7.332 5.450 1.00 0.54 C ATOM 97 CG LYS A 6 -2.420 -8.548 6.094 1.00 1.22 C ATOM 98 CD LYS A 6 -1.899 -8.915 7.485 1.00 1.37 C ATOM 99 CE LYS A 6 -0.455 -9.419 7.515 1.00 1.93 C ATOM 100 NZ LYS A 6 -0.276 -10.619 6.668 1.00 2.09 N ATOM 0 H LYS A 6 -0.940 -5.327 3.973 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.408 -7.862 3.548 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -0.682 -7.532 5.380 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -1.873 -6.483 6.123 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -3.491 -8.360 6.162 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -2.288 -9.407 5.436 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -1.977 -8.040 8.130 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -2.546 -9.683 7.909 1.00 1.37 H new ATOM 0 HE2 LYS A 6 0.213 -8.629 7.172 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -0.172 -9.653 8.541 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 0.736 -10.851 6.605 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -0.790 -11.420 7.088 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -0.648 -10.430 5.715 1.00 2.09 H new ATOM 114 N THR A 7 -4.686 -6.869 3.855 1.00 0.58 N ATOM 115 CA THR A 7 -5.971 -6.297 4.113 1.00 0.78 C ATOM 116 C THR A 7 -6.458 -6.561 5.496 1.00 0.94 C ATOM 117 O THR A 7 -6.051 -7.417 6.281 1.00 0.99 O ATOM 118 CB THR A 7 -7.011 -6.687 3.104 1.00 0.90 C ATOM 119 OG1 THR A 7 -7.496 -8.012 3.260 1.00 0.90 O ATOM 120 CG2 THR A 7 -6.431 -6.450 1.699 1.00 0.92 C ATOM 0 H THR A 7 -4.717 -7.836 3.533 1.00 0.58 H new ATOM 0 HA THR A 7 -5.815 -5.223 4.016 1.00 0.78 H new ATOM 0 HB THR A 7 -7.889 -6.061 3.262 1.00 0.90 H new ATOM 0 HG1 THR A 7 -8.169 -8.197 2.572 1.00 0.90 H new ATOM 0 HG21 THR A 7 -7.171 -6.727 0.948 1.00 0.92 H new ATOM 0 HG22 THR A 7 -6.175 -5.397 1.584 1.00 0.92 H new ATOM 0 HG23 THR A 7 -5.536 -7.058 1.568 1.00 0.92 H new ATOM 128 N LEU A 8 -7.521 -5.831 5.878 1.00 1.17 N ATOM 129 CA LEU A 8 -8.224 -5.959 7.117 1.00 1.39 C ATOM 130 C LEU A 8 -9.054 -7.192 7.229 1.00 1.44 C ATOM 131 O LEU A 8 -9.246 -7.756 8.306 1.00 1.60 O ATOM 132 CB LEU A 8 -9.073 -4.678 7.085 1.00 1.66 C ATOM 133 CG LEU A 8 -10.103 -4.645 8.228 1.00 2.11 C ATOM 134 CD1 LEU A 8 -9.353 -4.329 9.534 1.00 2.53 C ATOM 135 CD2 LEU A 8 -11.130 -3.551 7.891 1.00 2.43 C ATOM 0 H LEU A 8 -7.915 -5.103 5.281 1.00 1.17 H new ATOM 0 HA LEU A 8 -7.567 -6.061 7.981 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -8.421 -3.808 7.159 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -9.590 -4.609 6.128 1.00 1.66 H new ATOM 0 HG LEU A 8 -10.622 -5.596 8.348 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.061 -4.300 10.362 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -8.607 -5.102 9.721 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -8.859 -3.362 9.445 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -11.878 -3.498 8.682 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -10.623 -2.590 7.807 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -11.617 -3.788 6.945 1.00 2.43 H new ATOM 147 N THR A 9 -9.500 -7.764 6.097 1.00 1.41 N ATOM 148 CA THR A 9 -10.302 -8.944 5.988 1.00 1.51 C ATOM 149 C THR A 9 -9.485 -10.189 5.926 1.00 1.37 C ATOM 150 O THR A 9 -9.923 -11.244 6.383 1.00 1.62 O ATOM 151 CB THR A 9 -11.316 -8.994 4.884 1.00 1.65 C ATOM 152 OG1 THR A 9 -10.757 -9.027 3.580 1.00 1.89 O ATOM 153 CG2 THR A 9 -12.202 -7.745 5.023 1.00 2.08 C ATOM 0 H THR A 9 -9.281 -7.368 5.183 1.00 1.41 H new ATOM 0 HA THR A 9 -10.873 -8.886 6.914 1.00 1.51 H new ATOM 0 HB THR A 9 -11.874 -9.924 4.988 1.00 1.65 H new ATOM 0 HG1 THR A 9 -11.477 -9.060 2.916 1.00 1.89 H new ATOM 0 HG21 THR A 9 -12.955 -7.744 4.235 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.694 -7.754 5.996 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.586 -6.850 4.937 1.00 2.08 H new ATOM 161 N GLY A 10 -8.325 -10.126 5.250 1.00 1.18 N ATOM 162 CA GLY A 10 -7.412 -11.211 5.435 1.00 1.22 C ATOM 163 C GLY A 10 -6.441 -11.530 4.349 1.00 0.99 C ATOM 164 O GLY A 10 -5.747 -12.539 4.458 1.00 1.31 O ATOM 0 H GLY A 10 -8.031 -9.381 4.618 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -6.839 -11.009 6.340 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -8.001 -12.108 5.624 1.00 1.22 H new ATOM 168 N LYS A 11 -6.264 -10.738 3.276 1.00 0.73 N ATOM 169 CA LYS A 11 -5.474 -11.137 2.154 1.00 0.60 C ATOM 170 C LYS A 11 -4.162 -10.431 2.180 1.00 0.51 C ATOM 171 O LYS A 11 -4.073 -9.228 2.423 1.00 0.63 O ATOM 172 CB LYS A 11 -6.165 -10.643 0.872 1.00 0.75 C ATOM 173 CG LYS A 11 -5.656 -10.923 -0.543 1.00 0.87 C ATOM 174 CD LYS A 11 -5.408 -12.404 -0.834 1.00 1.04 C ATOM 175 CE LYS A 11 -5.206 -12.815 -2.294 1.00 1.30 C ATOM 176 NZ LYS A 11 -6.466 -12.661 -3.056 1.00 1.40 N ATOM 0 H LYS A 11 -6.675 -9.809 3.187 1.00 0.73 H new ATOM 0 HA LYS A 11 -5.351 -12.220 2.185 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -7.184 -11.028 0.909 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -6.231 -9.559 0.962 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -6.380 -10.539 -1.261 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.729 -10.372 -0.700 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -4.526 -12.714 -0.273 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -6.252 -12.970 -0.439 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -4.424 -12.204 -2.745 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.869 -13.850 -2.343 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -6.823 -13.599 -3.329 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -7.173 -12.180 -2.464 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -6.288 -12.096 -3.911 1.00 1.40 H new ATOM 190 N THR A 12 -3.086 -11.207 1.967 1.00 0.49 N ATOM 191 CA THR A 12 -1.794 -10.594 1.954 1.00 0.48 C ATOM 192 C THR A 12 -1.113 -10.719 0.634 1.00 0.52 C ATOM 193 O THR A 12 -0.766 -11.830 0.233 1.00 0.72 O ATOM 194 CB THR A 12 -0.855 -11.218 2.943 1.00 0.64 C ATOM 195 OG1 THR A 12 -1.426 -11.415 4.229 1.00 0.77 O ATOM 196 CG2 THR A 12 0.349 -10.281 3.142 1.00 0.78 C ATOM 0 H THR A 12 -3.103 -12.215 1.810 1.00 0.49 H new ATOM 0 HA THR A 12 -1.996 -9.551 2.198 1.00 0.48 H new ATOM 0 HB THR A 12 -0.586 -12.191 2.531 1.00 0.64 H new ATOM 0 HG1 THR A 12 -1.014 -12.196 4.654 1.00 0.77 H new ATOM 0 HG21 THR A 12 1.040 -10.724 3.860 1.00 0.78 H new ATOM 0 HG22 THR A 12 0.859 -10.136 2.189 1.00 0.78 H new ATOM 0 HG23 THR A 12 0.003 -9.318 3.518 1.00 0.78 H new ATOM 204 N ILE A 13 -0.895 -9.623 -0.113 1.00 0.48 N ATOM 205 CA ILE A 13 -0.279 -9.668 -1.402 1.00 0.55 C ATOM 206 C ILE A 13 1.178 -9.365 -1.332 1.00 0.51 C ATOM 207 O ILE A 13 1.660 -8.436 -0.687 1.00 0.56 O ATOM 208 CB ILE A 13 -0.990 -8.956 -2.515 1.00 0.69 C ATOM 209 CG1 ILE A 13 -1.239 -7.468 -2.217 1.00 1.15 C ATOM 210 CG2 ILE A 13 -2.292 -9.770 -2.603 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.020 -6.823 -3.361 1.00 1.55 C ATOM 0 H ILE A 13 -1.153 -8.683 0.186 1.00 0.48 H new ATOM 0 HA ILE A 13 -0.386 -10.709 -1.706 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.424 -8.918 -3.446 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -1.794 -7.364 -1.285 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -0.288 -6.953 -2.081 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -2.926 -9.359 -3.389 1.00 1.13 H new ATOM 0 HG22 ILE A 13 -2.057 -10.809 -2.833 1.00 1.13 H new ATOM 0 HG23 ILE A 13 -2.818 -9.719 -1.650 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -2.190 -5.770 -3.137 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -1.450 -6.910 -4.286 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -2.979 -7.328 -3.477 1.00 1.55 H new ATOM 223 N THR A 14 2.035 -10.127 -2.037 1.00 0.55 N ATOM 224 CA THR A 14 3.446 -9.907 -2.103 1.00 0.54 C ATOM 225 C THR A 14 3.747 -9.156 -3.353 1.00 0.55 C ATOM 226 O THR A 14 3.268 -9.584 -4.403 1.00 0.72 O ATOM 227 CB THR A 14 4.196 -11.205 -2.039 1.00 0.67 C ATOM 228 OG1 THR A 14 3.750 -11.782 -0.821 1.00 1.08 O ATOM 229 CG2 THR A 14 5.702 -11.004 -1.804 1.00 1.03 C ATOM 0 H THR A 14 1.730 -10.932 -2.585 1.00 0.55 H new ATOM 0 HA THR A 14 3.772 -9.319 -1.245 1.00 0.54 H new ATOM 0 HB THR A 14 4.038 -11.766 -2.960 1.00 0.67 H new ATOM 0 HG1 THR A 14 4.278 -11.424 -0.077 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.197 -11.974 -1.766 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.122 -10.414 -2.619 1.00 1.03 H new ATOM 0 HG23 THR A 14 5.856 -10.481 -0.860 1.00 1.03 H new ATOM 237 N LEU A 15 4.459 -8.018 -3.267 1.00 0.50 N ATOM 238 CA LEU A 15 4.744 -7.080 -4.309 1.00 0.55 C ATOM 239 C LEU A 15 6.199 -6.761 -4.311 1.00 0.52 C ATOM 240 O LEU A 15 6.912 -6.521 -3.339 1.00 0.58 O ATOM 241 CB LEU A 15 3.975 -5.773 -4.050 1.00 0.69 C ATOM 242 CG LEU A 15 2.451 -5.730 -3.843 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.036 -4.250 -3.804 1.00 1.38 C ATOM 244 CD2 LEU A 15 1.674 -6.493 -4.929 1.00 1.55 C ATOM 0 H LEU A 15 4.874 -7.729 -2.381 1.00 0.50 H new ATOM 0 HA LEU A 15 4.448 -7.515 -5.264 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.421 -5.320 -3.165 1.00 0.69 H new ATOM 0 HB3 LEU A 15 4.193 -5.113 -4.890 1.00 0.69 H new ATOM 0 HG LEU A 15 2.204 -6.233 -2.908 1.00 0.76 H new ATOM 0 HD11 LEU A 15 0.958 -4.178 -3.658 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.548 -3.750 -2.982 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.308 -3.771 -4.745 1.00 1.38 H new ATOM 0 HD21 LEU A 15 0.605 -6.425 -4.727 1.00 1.55 H new ATOM 0 HD22 LEU A 15 1.887 -6.055 -5.904 1.00 1.55 H new ATOM 0 HD23 LEU A 15 1.978 -7.540 -4.927 1.00 1.55 H new ATOM 256 N GLU A 16 6.827 -6.605 -5.490 1.00 0.59 N ATOM 257 CA GLU A 16 8.161 -6.145 -5.720 1.00 0.63 C ATOM 258 C GLU A 16 8.138 -4.693 -6.056 1.00 0.65 C ATOM 259 O GLU A 16 7.594 -4.291 -7.082 1.00 0.81 O ATOM 260 CB GLU A 16 8.942 -7.011 -6.722 1.00 0.76 C ATOM 261 CG GLU A 16 9.290 -8.382 -6.138 1.00 1.41 C ATOM 262 CD GLU A 16 10.398 -8.986 -6.989 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.537 -8.452 -6.913 1.00 1.95 O ATOM 264 OE2 GLU A 16 10.068 -10.022 -7.626 1.00 1.92 O ATOM 0 H GLU A 16 6.352 -6.823 -6.366 1.00 0.59 H new ATOM 0 HA GLU A 16 8.729 -6.260 -4.797 1.00 0.63 H new ATOM 0 HB2 GLU A 16 8.350 -7.141 -7.628 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.858 -6.496 -7.011 1.00 0.76 H new ATOM 0 HG2 GLU A 16 9.615 -8.284 -5.102 1.00 1.41 H new ATOM 0 HG3 GLU A 16 8.413 -9.030 -6.137 1.00 1.41 H new ATOM 271 N VAL A 17 8.782 -3.824 -5.254 1.00 0.61 N ATOM 272 CA VAL A 17 8.844 -2.412 -5.469 1.00 0.63 C ATOM 273 C VAL A 17 10.272 -1.988 -5.522 1.00 0.65 C ATOM 274 O VAL A 17 11.215 -2.750 -5.313 1.00 0.76 O ATOM 275 CB VAL A 17 8.084 -1.584 -4.475 1.00 0.70 C ATOM 276 CG1 VAL A 17 6.625 -2.072 -4.471 1.00 0.96 C ATOM 277 CG2 VAL A 17 8.559 -1.888 -3.045 1.00 0.92 C ATOM 0 H VAL A 17 9.283 -4.121 -4.417 1.00 0.61 H new ATOM 0 HA VAL A 17 8.345 -2.227 -6.420 1.00 0.63 H new ATOM 0 HB VAL A 17 8.215 -0.535 -4.741 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.047 -1.486 -3.756 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.198 -1.952 -5.467 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.594 -3.124 -4.188 1.00 0.96 H new ATOM 0 HG21 VAL A 17 7.997 -1.278 -2.338 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.397 -2.943 -2.824 1.00 0.92 H new ATOM 0 HG23 VAL A 17 9.621 -1.658 -2.958 1.00 0.92 H new ATOM 287 N GLU A 18 10.466 -0.692 -5.826 1.00 0.68 N ATOM 288 CA GLU A 18 11.666 0.000 -5.470 1.00 0.74 C ATOM 289 C GLU A 18 11.284 1.073 -4.510 1.00 0.71 C ATOM 290 O GLU A 18 10.230 1.663 -4.742 1.00 0.74 O ATOM 291 CB GLU A 18 12.344 0.652 -6.687 1.00 0.88 C ATOM 292 CG GLU A 18 13.040 -0.417 -7.533 1.00 1.16 C ATOM 293 CD GLU A 18 13.866 0.080 -8.710 1.00 1.71 C ATOM 294 OE1 GLU A 18 13.240 0.301 -9.781 1.00 2.33 O ATOM 295 OE2 GLU A 18 15.121 0.174 -8.637 1.00 2.35 O ATOM 0 H GLU A 18 9.784 -0.119 -6.323 1.00 0.68 H new ATOM 0 HA GLU A 18 12.372 -0.712 -5.043 1.00 0.74 H new ATOM 0 HB2 GLU A 18 11.602 1.178 -7.288 1.00 0.88 H new ATOM 0 HB3 GLU A 18 13.070 1.394 -6.355 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.692 -0.998 -6.880 1.00 1.16 H new ATOM 0 HG3 GLU A 18 12.280 -1.099 -7.914 1.00 1.16 H new ATOM 302 N PRO A 19 12.093 1.455 -3.567 1.00 0.74 N ATOM 303 CA PRO A 19 11.645 2.397 -2.584 1.00 0.74 C ATOM 304 C PRO A 19 11.478 3.736 -3.216 1.00 0.70 C ATOM 305 O PRO A 19 10.674 4.463 -2.632 1.00 0.74 O ATOM 306 CB PRO A 19 12.791 2.471 -1.577 1.00 0.86 C ATOM 307 CG PRO A 19 14.030 2.049 -2.383 1.00 0.95 C ATOM 308 CD PRO A 19 13.445 0.977 -3.316 1.00 0.82 C ATOM 0 HA PRO A 19 10.695 2.108 -2.134 1.00 0.74 H new ATOM 0 HB2 PRO A 19 12.902 3.478 -1.174 1.00 0.86 H new ATOM 0 HB3 PRO A 19 12.621 1.805 -0.731 1.00 0.86 H new ATOM 0 HG2 PRO A 19 14.461 2.883 -2.937 1.00 0.95 H new ATOM 0 HG3 PRO A 19 14.818 1.650 -1.744 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.019 0.890 -4.239 1.00 0.82 H new ATOM 0 HD3 PRO A 19 13.443 -0.007 -2.847 1.00 0.82 H new ATOM 316 N SER A 20 12.042 4.064 -4.392 1.00 0.70 N ATOM 317 CA SER A 20 11.866 5.266 -5.147 1.00 0.74 C ATOM 318 C SER A 20 10.531 5.416 -5.793 1.00 0.71 C ATOM 319 O SER A 20 10.185 6.468 -6.329 1.00 0.80 O ATOM 320 CB SER A 20 13.005 5.427 -6.167 1.00 0.89 C ATOM 321 OG SER A 20 13.032 4.297 -7.026 1.00 1.45 O ATOM 0 H SER A 20 12.684 3.423 -4.858 1.00 0.70 H new ATOM 0 HA SER A 20 11.906 6.077 -4.420 1.00 0.74 H new ATOM 0 HB2 SER A 20 12.860 6.337 -6.749 1.00 0.89 H new ATOM 0 HB3 SER A 20 13.959 5.528 -5.650 1.00 0.89 H new ATOM 0 HG SER A 20 13.757 4.399 -7.678 1.00 1.45 H new ATOM 327 N ASP A 21 9.616 4.433 -5.846 1.00 0.70 N ATOM 328 CA ASP A 21 8.341 4.578 -6.476 1.00 0.73 C ATOM 329 C ASP A 21 7.396 5.295 -5.575 1.00 0.64 C ATOM 330 O ASP A 21 7.568 5.283 -4.357 1.00 0.66 O ATOM 331 CB ASP A 21 7.807 3.169 -6.782 1.00 0.87 C ATOM 332 CG ASP A 21 8.683 2.372 -7.739 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.011 2.851 -8.856 1.00 1.69 O ATOM 334 OD2 ASP A 21 8.980 1.204 -7.369 1.00 1.50 O ATOM 0 H ASP A 21 9.767 3.510 -5.439 1.00 0.70 H new ATOM 0 HA ASP A 21 8.438 5.159 -7.393 1.00 0.73 H new ATOM 0 HB2 ASP A 21 7.711 2.617 -5.847 1.00 0.87 H new ATOM 0 HB3 ASP A 21 6.807 3.254 -7.206 1.00 0.87 H new ATOM 339 N THR A 22 6.256 5.746 -6.129 1.00 0.63 N ATOM 340 CA THR A 22 5.285 6.502 -5.401 1.00 0.58 C ATOM 341 C THR A 22 4.231 5.608 -4.844 1.00 0.53 C ATOM 342 O THR A 22 3.931 4.542 -5.382 1.00 0.58 O ATOM 343 CB THR A 22 4.567 7.553 -6.194 1.00 0.63 C ATOM 344 OG1 THR A 22 4.085 7.072 -7.440 1.00 0.70 O ATOM 345 CG2 THR A 22 5.463 8.770 -6.476 1.00 0.75 C ATOM 0 H THR A 22 6.004 5.582 -7.104 1.00 0.63 H new ATOM 0 HA THR A 22 5.874 6.999 -4.630 1.00 0.58 H new ATOM 0 HB THR A 22 3.721 7.843 -5.571 1.00 0.63 H new ATOM 0 HG1 THR A 22 3.625 7.796 -7.914 1.00 0.70 H new ATOM 0 HG21 THR A 22 4.904 9.507 -7.053 1.00 0.75 H new ATOM 0 HG22 THR A 22 5.782 9.213 -5.533 1.00 0.75 H new ATOM 0 HG23 THR A 22 6.339 8.454 -7.043 1.00 0.75 H new ATOM 353 N ILE A 23 3.609 6.004 -3.720 1.00 0.51 N ATOM 354 CA ILE A 23 2.492 5.295 -3.178 1.00 0.48 C ATOM 355 C ILE A 23 1.301 5.178 -4.067 1.00 0.48 C ATOM 356 O ILE A 23 0.658 4.130 -4.068 1.00 0.51 O ATOM 357 CB ILE A 23 2.095 5.879 -1.856 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.132 5.384 -0.833 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.718 5.321 -1.457 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.680 6.427 0.140 1.00 0.73 C ATOM 0 H ILE A 23 3.884 6.825 -3.181 1.00 0.51 H new ATOM 0 HA ILE A 23 2.850 4.272 -3.060 1.00 0.48 H new ATOM 0 HB ILE A 23 2.051 6.967 -1.899 1.00 0.52 H new ATOM 0 HG12 ILE A 23 2.681 4.579 -0.252 1.00 0.60 H new ATOM 0 HG13 ILE A 23 3.971 4.952 -1.379 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.420 5.740 -0.496 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.018 5.592 -2.214 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.774 4.235 -1.377 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.401 5.957 0.809 1.00 0.73 H new ATOM 0 HD12 ILE A 23 4.170 7.224 -0.419 1.00 0.73 H new ATOM 0 HD13 ILE A 23 2.861 6.845 0.725 1.00 0.73 H new ATOM 372 N GLU A 24 0.961 6.195 -4.879 1.00 0.50 N ATOM 373 CA GLU A 24 0.090 6.120 -6.011 1.00 0.53 C ATOM 374 C GLU A 24 0.306 4.948 -6.906 1.00 0.50 C ATOM 375 O GLU A 24 -0.581 4.159 -7.229 1.00 0.55 O ATOM 376 CB GLU A 24 0.114 7.495 -6.698 1.00 0.64 C ATOM 377 CG GLU A 24 -0.516 7.597 -8.089 1.00 0.95 C ATOM 378 CD GLU A 24 -0.584 9.025 -8.613 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.443 9.757 -8.629 1.00 1.56 O ATOM 380 OE2 GLU A 24 -1.712 9.498 -8.916 1.00 1.62 O ATOM 0 H GLU A 24 1.322 7.138 -4.733 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.925 5.908 -5.674 1.00 0.53 H new ATOM 0 HB2 GLU A 24 -0.392 8.207 -6.046 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.153 7.816 -6.774 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.059 6.988 -8.787 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -1.523 7.180 -8.056 1.00 0.95 H new ATOM 387 N ASN A 25 1.542 4.795 -7.413 1.00 0.51 N ATOM 388 CA ASN A 25 2.056 3.730 -8.217 1.00 0.52 C ATOM 389 C ASN A 25 2.005 2.425 -7.500 1.00 0.47 C ATOM 390 O ASN A 25 1.516 1.525 -8.180 1.00 0.53 O ATOM 391 CB ASN A 25 3.522 4.050 -8.554 1.00 0.64 C ATOM 392 CG ASN A 25 4.127 3.131 -9.606 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.056 2.381 -9.311 1.00 2.13 O ATOM 394 ND2 ASN A 25 3.610 3.232 -10.860 1.00 1.57 N ATOM 0 H ASN A 25 2.259 5.499 -7.238 1.00 0.51 H new ATOM 0 HA ASN A 25 1.446 3.646 -9.116 1.00 0.52 H new ATOM 0 HB2 ASN A 25 3.588 5.080 -8.904 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.117 3.985 -7.643 1.00 0.64 H new ATOM 0 HD21 ASN A 25 3.994 2.667 -11.617 1.00 1.57 H new ATOM 0 HD22 ASN A 25 2.838 3.873 -11.043 1.00 1.57 H new ATOM 401 N VAL A 26 2.285 2.315 -6.189 1.00 0.45 N ATOM 402 CA VAL A 26 2.224 1.109 -5.424 1.00 0.44 C ATOM 403 C VAL A 26 0.811 0.635 -5.421 1.00 0.40 C ATOM 404 O VAL A 26 0.523 -0.509 -5.766 1.00 0.44 O ATOM 405 CB VAL A 26 2.850 1.128 -4.060 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.785 -0.311 -3.525 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.345 1.479 -4.156 1.00 0.62 C ATOM 0 H VAL A 26 2.572 3.118 -5.630 1.00 0.45 H new ATOM 0 HA VAL A 26 2.875 0.392 -5.924 1.00 0.44 H new ATOM 0 HB VAL A 26 2.334 1.854 -3.432 1.00 0.50 H new ATOM 0 HG11 VAL A 26 3.230 -0.350 -2.531 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.745 -0.632 -3.470 1.00 0.60 H new ATOM 0 HG13 VAL A 26 3.334 -0.973 -4.194 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.782 1.488 -3.157 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.855 0.735 -4.768 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.459 2.463 -4.611 1.00 0.62 H new ATOM 417 N LYS A 27 -0.160 1.560 -5.328 1.00 0.40 N ATOM 418 CA LYS A 27 -1.511 1.126 -5.510 1.00 0.41 C ATOM 419 C LYS A 27 -1.963 0.739 -6.876 1.00 0.38 C ATOM 420 O LYS A 27 -2.779 -0.165 -7.051 1.00 0.42 O ATOM 421 CB LYS A 27 -2.462 2.159 -4.884 1.00 0.51 C ATOM 422 CG LYS A 27 -2.224 2.490 -3.410 1.00 0.76 C ATOM 423 CD LYS A 27 -3.210 3.524 -2.860 1.00 0.82 C ATOM 424 CE LYS A 27 -3.291 4.819 -3.670 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.043 5.802 -2.858 1.00 1.11 N ATOM 0 H LYS A 27 -0.026 2.553 -5.138 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.541 0.165 -4.996 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -2.391 3.083 -5.458 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.483 1.794 -4.993 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.300 1.576 -2.822 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.208 2.865 -3.287 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -4.202 3.074 -2.818 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -2.927 3.768 -1.836 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -2.293 5.193 -3.898 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -3.791 4.645 -4.623 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -4.425 6.544 -3.478 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -4.826 5.322 -2.369 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -3.407 6.231 -2.156 1.00 1.11 H new ATOM 439 N ALA A 28 -1.355 1.281 -7.945 1.00 0.39 N ATOM 440 CA ALA A 28 -1.571 0.776 -9.265 1.00 0.39 C ATOM 441 C ALA A 28 -0.989 -0.587 -9.420 1.00 0.36 C ATOM 442 O ALA A 28 -1.425 -1.398 -10.236 1.00 0.42 O ATOM 443 CB ALA A 28 -0.915 1.714 -10.292 1.00 0.51 C ATOM 0 H ALA A 28 -0.712 2.071 -7.895 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.647 0.722 -9.433 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -1.081 1.326 -11.297 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -1.354 2.708 -10.209 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.156 1.773 -10.099 1.00 0.51 H new ATOM 449 N LYS A 29 0.022 -0.951 -8.612 1.00 0.39 N ATOM 450 CA LYS A 29 0.601 -2.256 -8.681 1.00 0.43 C ATOM 451 C LYS A 29 -0.316 -3.316 -8.174 1.00 0.44 C ATOM 452 O LYS A 29 -0.457 -4.334 -8.850 1.00 0.54 O ATOM 453 CB LYS A 29 1.961 -2.239 -7.963 1.00 0.54 C ATOM 454 CG LYS A 29 3.055 -1.354 -8.561 1.00 0.65 C ATOM 455 CD LYS A 29 4.290 -1.499 -7.669 1.00 1.08 C ATOM 456 CE LYS A 29 5.503 -0.609 -7.949 1.00 1.24 C ATOM 457 NZ LYS A 29 5.759 -0.652 -9.407 1.00 1.44 N ATOM 0 H LYS A 29 0.439 -0.340 -7.910 1.00 0.39 H new ATOM 0 HA LYS A 29 0.767 -2.516 -9.726 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.796 -1.922 -6.933 1.00 0.54 H new ATOM 0 HB3 LYS A 29 2.336 -3.262 -7.926 1.00 0.54 H new ATOM 0 HG2 LYS A 29 3.280 -1.658 -9.583 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.730 -0.314 -8.602 1.00 0.65 H new ATOM 0 HD2 LYS A 29 3.978 -1.320 -6.640 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.620 -2.536 -7.726 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.312 0.413 -7.623 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.374 -0.962 -7.396 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.781 -0.572 -9.583 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 5.410 -1.552 -9.794 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.266 0.138 -9.870 1.00 1.44 H new ATOM 471 N ILE A 30 -1.057 -2.950 -7.113 1.00 0.41 N ATOM 472 CA ILE A 30 -2.186 -3.613 -6.537 1.00 0.44 C ATOM 473 C ILE A 30 -3.261 -3.761 -7.556 1.00 0.45 C ATOM 474 O ILE A 30 -4.058 -4.697 -7.560 1.00 0.56 O ATOM 475 CB ILE A 30 -2.646 -3.029 -5.234 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.468 -2.890 -4.253 1.00 0.52 C ATOM 477 CG2 ILE A 30 -3.757 -3.942 -4.689 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.900 -2.244 -2.937 1.00 1.32 C ATOM 0 H ILE A 30 -0.838 -2.093 -6.604 1.00 0.41 H new ATOM 0 HA ILE A 30 -1.868 -4.614 -6.246 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.040 -2.022 -5.373 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.043 -3.874 -4.053 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.682 -2.290 -4.712 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.118 -3.548 -3.739 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.580 -3.979 -5.403 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.361 -4.947 -4.539 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -1.040 -2.164 -2.272 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -2.301 -1.250 -3.134 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.668 -2.857 -2.465 1.00 1.32 H new ATOM 490 N GLN A 31 -3.413 -2.769 -8.452 1.00 0.41 N ATOM 491 CA GLN A 31 -4.391 -2.791 -9.495 1.00 0.48 C ATOM 492 C GLN A 31 -4.171 -3.864 -10.505 1.00 0.52 C ATOM 493 O GLN A 31 -5.182 -4.475 -10.848 1.00 0.66 O ATOM 494 CB GLN A 31 -4.577 -1.427 -10.182 1.00 0.52 C ATOM 495 CG GLN A 31 -5.951 -1.375 -10.849 1.00 0.70 C ATOM 496 CD GLN A 31 -6.315 -0.060 -11.524 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.455 0.816 -11.593 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.511 0.147 -12.137 1.00 1.43 N ATOM 0 H GLN A 31 -2.838 -1.926 -8.451 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.321 -3.029 -8.978 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -4.486 -0.624 -9.451 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -3.794 -1.272 -10.925 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.002 -2.169 -11.594 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -6.707 -1.596 -10.096 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -8.238 -0.567 -12.092 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.681 1.017 -12.642 1.00 1.43 H new ATOM 507 N ASP A 32 -2.917 -4.084 -10.939 1.00 0.50 N ATOM 508 CA ASP A 32 -2.542 -5.257 -11.665 1.00 0.60 C ATOM 509 C ASP A 32 -2.679 -6.532 -10.907 1.00 0.65 C ATOM 510 O ASP A 32 -2.962 -7.602 -11.441 1.00 0.81 O ATOM 511 CB ASP A 32 -1.118 -4.918 -12.138 1.00 0.67 C ATOM 512 CG ASP A 32 -0.676 -5.657 -13.393 1.00 0.91 C ATOM 513 OD1 ASP A 32 -1.225 -5.386 -14.494 1.00 1.55 O ATOM 514 OD2 ASP A 32 0.302 -6.450 -13.342 1.00 1.51 O ATOM 0 H ASP A 32 -2.148 -3.433 -10.782 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.212 -5.474 -12.497 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.056 -3.846 -12.323 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -0.418 -5.144 -11.333 1.00 0.67 H new ATOM 519 N LYS A 33 -2.478 -6.497 -9.577 1.00 0.62 N ATOM 520 CA LYS A 33 -2.335 -7.722 -8.855 1.00 0.73 C ATOM 521 C LYS A 33 -3.669 -8.221 -8.418 1.00 0.69 C ATOM 522 O LYS A 33 -4.041 -9.299 -8.880 1.00 0.83 O ATOM 523 CB LYS A 33 -1.385 -7.491 -7.666 1.00 0.85 C ATOM 524 CG LYS A 33 -1.191 -8.645 -6.681 1.00 1.31 C ATOM 525 CD LYS A 33 -0.590 -9.960 -7.179 1.00 1.71 C ATOM 526 CE LYS A 33 0.850 -9.962 -7.699 1.00 2.26 C ATOM 527 NZ LYS A 33 1.487 -11.266 -7.987 1.00 2.62 N ATOM 0 H LYS A 33 -2.416 -5.648 -9.016 1.00 0.62 H new ATOM 0 HA LYS A 33 -1.903 -8.490 -9.496 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -0.407 -7.221 -8.065 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -1.750 -6.629 -7.107 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.559 -8.282 -5.871 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -2.165 -8.873 -6.247 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.647 -10.679 -6.362 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -1.230 -10.334 -7.978 1.00 1.71 H new ATOM 0 HE2 LYS A 33 0.875 -9.370 -8.614 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.469 -9.443 -6.967 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.456 -11.111 -8.330 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.514 -11.838 -7.119 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 0.938 -11.767 -8.715 1.00 2.62 H new ATOM 541 N GLU A 34 -4.404 -7.541 -7.520 1.00 0.63 N ATOM 542 CA GLU A 34 -5.583 -8.012 -6.862 1.00 0.67 C ATOM 543 C GLU A 34 -6.807 -7.480 -7.522 1.00 0.69 C ATOM 544 O GLU A 34 -7.884 -8.074 -7.488 1.00 0.95 O ATOM 545 CB GLU A 34 -5.537 -7.547 -5.396 1.00 0.73 C ATOM 546 CG GLU A 34 -6.526 -8.127 -4.382 1.00 0.83 C ATOM 547 CD GLU A 34 -6.614 -9.646 -4.368 1.00 0.95 C ATOM 548 OE1 GLU A 34 -5.602 -10.394 -4.320 1.00 1.48 O ATOM 549 OE2 GLU A 34 -7.760 -10.154 -4.496 1.00 1.37 O ATOM 0 H GLU A 34 -4.155 -6.594 -7.234 1.00 0.63 H new ATOM 0 HA GLU A 34 -5.619 -9.100 -6.916 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -4.533 -7.748 -5.023 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -5.667 -6.465 -5.394 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -6.245 -7.785 -3.386 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -7.516 -7.722 -4.590 1.00 0.83 H new ATOM 556 N GLY A 35 -6.655 -6.333 -8.210 1.00 0.63 N ATOM 557 CA GLY A 35 -7.713 -5.851 -9.040 1.00 0.68 C ATOM 558 C GLY A 35 -8.523 -4.821 -8.331 1.00 0.76 C ATOM 559 O GLY A 35 -9.743 -4.691 -8.420 1.00 1.12 O ATOM 0 H GLY A 35 -5.818 -5.751 -8.193 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -7.298 -5.426 -9.954 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -8.354 -6.681 -9.337 1.00 0.68 H new ATOM 563 N ILE A 36 -7.792 -3.918 -7.652 1.00 0.70 N ATOM 564 CA ILE A 36 -8.494 -2.929 -6.895 1.00 0.76 C ATOM 565 C ILE A 36 -8.075 -1.605 -7.435 1.00 0.71 C ATOM 566 O ILE A 36 -6.874 -1.396 -7.597 1.00 0.73 O ATOM 567 CB ILE A 36 -8.055 -3.005 -5.463 1.00 0.88 C ATOM 568 CG1 ILE A 36 -7.988 -4.470 -4.999 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.064 -2.203 -4.625 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.847 -4.683 -3.493 1.00 1.16 C ATOM 0 H ILE A 36 -6.774 -3.870 -7.624 1.00 0.70 H new ATOM 0 HA ILE A 36 -9.572 -3.077 -6.959 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.056 -2.586 -5.344 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -8.890 -4.980 -5.336 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.145 -4.951 -5.496 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.774 -2.238 -3.575 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.077 -1.167 -4.964 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.058 -2.635 -4.741 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -7.809 -5.751 -3.279 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.929 -4.210 -3.143 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.701 -4.240 -2.981 1.00 1.16 H new ATOM 582 N PRO A 37 -8.890 -0.660 -7.798 1.00 0.75 N ATOM 583 CA PRO A 37 -8.444 0.598 -8.324 1.00 0.79 C ATOM 584 C PRO A 37 -7.833 1.410 -7.235 1.00 0.75 C ATOM 585 O PRO A 37 -8.390 1.299 -6.143 1.00 0.75 O ATOM 586 CB PRO A 37 -9.740 1.295 -8.731 1.00 0.95 C ATOM 587 CG PRO A 37 -10.742 0.168 -9.030 1.00 1.02 C ATOM 588 CD PRO A 37 -10.331 -0.819 -7.926 1.00 0.85 C ATOM 0 HA PRO A 37 -7.719 0.477 -9.129 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.104 1.941 -7.933 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -9.587 1.926 -9.607 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -11.779 0.492 -8.940 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -10.623 -0.247 -10.031 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -10.838 -0.595 -6.987 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -10.593 -1.843 -8.194 1.00 0.85 H new ATOM 596 N PRO A 38 -6.894 2.271 -7.486 1.00 0.81 N ATOM 597 CA PRO A 38 -6.187 2.966 -6.448 1.00 0.85 C ATOM 598 C PRO A 38 -6.929 4.036 -5.726 1.00 0.89 C ATOM 599 O PRO A 38 -6.526 4.571 -4.693 1.00 0.99 O ATOM 600 CB PRO A 38 -5.033 3.643 -7.184 1.00 1.01 C ATOM 601 CG PRO A 38 -4.628 2.529 -8.163 1.00 1.25 C ATOM 602 CD PRO A 38 -6.063 2.334 -8.679 1.00 0.98 C ATOM 0 HA PRO A 38 -5.935 2.239 -5.676 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.346 4.552 -7.698 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.220 3.920 -6.513 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -3.920 2.846 -8.928 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.205 1.647 -7.682 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.364 3.158 -9.325 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.149 1.420 -9.267 1.00 0.98 H new ATOM 610 N ASP A 39 -8.105 4.511 -6.175 1.00 0.96 N ATOM 611 CA ASP A 39 -8.884 5.550 -5.576 1.00 1.11 C ATOM 612 C ASP A 39 -9.638 4.897 -4.468 1.00 1.00 C ATOM 613 O ASP A 39 -9.953 5.465 -3.424 1.00 1.14 O ATOM 614 CB ASP A 39 -9.793 6.292 -6.570 1.00 1.39 C ATOM 615 CG ASP A 39 -9.009 7.214 -7.493 1.00 1.73 C ATOM 616 OD1 ASP A 39 -8.657 8.308 -6.975 1.00 2.25 O ATOM 617 OD2 ASP A 39 -8.684 6.933 -8.676 1.00 2.23 O ATOM 0 H ASP A 39 -8.542 4.141 -7.019 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.240 6.345 -5.200 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.343 5.565 -7.168 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -10.531 6.875 -6.019 1.00 1.39 H new ATOM 622 N GLN A 40 -9.971 3.613 -4.693 1.00 0.87 N ATOM 623 CA GLN A 40 -10.723 2.846 -3.749 1.00 0.84 C ATOM 624 C GLN A 40 -9.923 2.312 -2.612 1.00 0.67 C ATOM 625 O GLN A 40 -10.448 1.611 -1.749 1.00 0.80 O ATOM 626 CB GLN A 40 -11.413 1.740 -4.566 1.00 0.95 C ATOM 627 CG GLN A 40 -12.330 2.262 -5.673 1.00 1.32 C ATOM 628 CD GLN A 40 -13.179 1.095 -6.159 1.00 1.48 C ATOM 629 OE1 GLN A 40 -13.032 -0.100 -5.911 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.159 1.476 -7.021 1.00 2.02 N ATOM 0 H GLN A 40 -9.716 3.102 -5.538 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.448 3.484 -3.244 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.650 1.102 -5.012 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.996 1.114 -3.891 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -12.963 3.066 -5.298 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -11.743 2.675 -6.493 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.293 2.464 -7.236 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.760 0.774 -7.452 1.00 2.02 H new ATOM 639 N GLN A 41 -8.632 2.662 -2.466 1.00 0.56 N ATOM 640 CA GLN A 41 -7.810 2.134 -1.421 1.00 0.51 C ATOM 641 C GLN A 41 -6.743 3.062 -0.954 1.00 0.49 C ATOM 642 O GLN A 41 -6.197 3.876 -1.698 1.00 0.65 O ATOM 643 CB GLN A 41 -7.103 0.851 -1.889 1.00 0.67 C ATOM 644 CG GLN A 41 -6.393 1.077 -3.225 1.00 0.69 C ATOM 645 CD GLN A 41 -5.273 0.062 -3.398 1.00 0.56 C ATOM 646 OE1 GLN A 41 -4.307 -0.038 -2.643 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.432 -0.804 -4.434 1.00 0.61 N ATOM 0 H GLN A 41 -8.152 3.320 -3.081 1.00 0.56 H new ATOM 0 HA GLN A 41 -8.499 1.953 -0.596 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -6.380 0.534 -1.137 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -7.831 0.046 -1.991 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -7.106 0.987 -4.045 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -5.988 2.088 -3.264 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.236 -0.714 -5.055 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.747 -1.544 -4.590 1.00 0.61 H new ATOM 656 N ARG A 42 -6.364 3.031 0.337 1.00 0.47 N ATOM 657 CA ARG A 42 -5.222 3.767 0.783 1.00 0.55 C ATOM 658 C ARG A 42 -4.344 2.852 1.566 1.00 0.46 C ATOM 659 O ARG A 42 -4.733 1.722 1.861 1.00 0.52 O ATOM 660 CB ARG A 42 -5.733 4.791 1.808 1.00 0.73 C ATOM 661 CG ARG A 42 -6.297 6.047 1.140 1.00 1.04 C ATOM 662 CD ARG A 42 -6.770 7.096 2.147 1.00 1.28 C ATOM 663 NE ARG A 42 -6.749 8.415 1.454 1.00 1.69 N ATOM 664 CZ ARG A 42 -6.907 9.602 2.110 1.00 2.19 C ATOM 665 NH1 ARG A 42 -7.174 9.705 3.444 1.00 2.34 N ATOM 666 NH2 ARG A 42 -6.634 10.764 1.447 1.00 2.78 N ATOM 0 H ARG A 42 -6.843 2.502 1.065 1.00 0.47 H new ATOM 0 HA ARG A 42 -4.700 4.212 -0.064 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -6.506 4.331 2.424 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -4.918 5.072 2.476 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -5.533 6.485 0.498 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -7.131 5.767 0.496 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -7.774 6.864 2.501 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -6.119 7.111 3.021 1.00 1.28 H new ATOM 0 HE ARG A 42 -6.610 8.432 0.444 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -7.267 8.863 4.012 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -7.281 10.624 3.873 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -6.318 10.736 0.478 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -6.746 11.660 1.921 1.00 2.78 H new ATOM 680 N LEU A 43 -3.060 3.184 1.787 1.00 0.46 N ATOM 681 CA LEU A 43 -2.181 2.306 2.497 1.00 0.42 C ATOM 682 C LEU A 43 -1.662 2.993 3.713 1.00 0.43 C ATOM 683 O LEU A 43 -1.346 4.182 3.734 1.00 0.55 O ATOM 684 CB LEU A 43 -0.997 1.850 1.628 1.00 0.55 C ATOM 685 CG LEU A 43 -1.366 1.171 0.298 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.104 0.863 -0.526 1.00 1.17 C ATOM 687 CD2 LEU A 43 -2.021 -0.201 0.531 1.00 1.12 C ATOM 0 H LEU A 43 -2.631 4.056 1.476 1.00 0.46 H new ATOM 0 HA LEU A 43 -2.754 1.422 2.776 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.375 2.718 1.411 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.388 1.159 2.211 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.039 1.861 -0.211 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.389 0.383 -1.462 1.00 1.17 H new ATOM 0 HD12 LEU A 43 0.426 1.791 -0.741 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.546 0.196 0.040 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -2.269 -0.653 -0.429 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -1.328 -0.848 1.069 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.930 -0.075 1.119 1.00 1.12 H new ATOM 699 N ILE A 44 -1.423 2.134 4.720 1.00 0.42 N ATOM 700 CA ILE A 44 -1.075 2.548 6.043 1.00 0.46 C ATOM 701 C ILE A 44 0.169 1.842 6.461 1.00 0.42 C ATOM 702 O ILE A 44 0.364 0.632 6.346 1.00 0.53 O ATOM 703 CB ILE A 44 -2.200 2.310 7.006 1.00 0.58 C ATOM 704 CG1 ILE A 44 -3.542 2.992 6.694 1.00 1.05 C ATOM 705 CG2 ILE A 44 -1.724 2.618 8.437 1.00 1.38 C ATOM 706 CD1 ILE A 44 -4.677 2.698 7.675 1.00 1.27 C ATOM 0 H ILE A 44 -1.473 1.121 4.610 1.00 0.42 H new ATOM 0 HA ILE A 44 -0.890 3.622 6.047 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.445 1.254 6.895 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -3.383 4.070 6.663 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -3.860 2.688 5.697 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -2.541 2.445 9.137 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -0.886 1.968 8.690 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -1.407 3.659 8.499 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -5.576 3.228 7.361 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -4.875 1.626 7.692 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.390 3.029 8.673 1.00 1.27 H new ATOM 718 N PHE A 45 1.109 2.679 6.932 1.00 0.42 N ATOM 719 CA PHE A 45 2.249 2.072 7.545 1.00 0.46 C ATOM 720 C PHE A 45 2.224 2.553 8.954 1.00 0.68 C ATOM 721 O PHE A 45 2.051 3.736 9.243 1.00 1.50 O ATOM 722 CB PHE A 45 3.491 2.405 6.701 1.00 0.56 C ATOM 723 CG PHE A 45 4.622 1.581 7.211 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.569 0.211 7.110 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.666 2.162 7.892 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.545 -0.567 7.689 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.614 1.346 8.464 1.00 1.33 C ATOM 728 CZ PHE A 45 6.621 -0.024 8.350 1.00 1.02 C ATOM 0 H PHE A 45 1.091 3.698 6.896 1.00 0.42 H new ATOM 0 HA PHE A 45 2.257 0.983 7.580 1.00 0.46 H new ATOM 0 HB2 PHE A 45 3.306 2.191 5.648 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.729 3.466 6.773 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.757 -0.257 6.573 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.740 3.236 7.976 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.463 -1.642 7.622 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.402 1.810 9.038 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.418 -0.632 8.752 1.00 1.02 H new ATOM 738 N ALA A 46 2.249 1.647 9.949 1.00 0.81 N ATOM 739 CA ALA A 46 2.206 1.946 11.345 1.00 0.96 C ATOM 740 C ALA A 46 0.819 2.233 11.809 1.00 0.97 C ATOM 741 O ALA A 46 0.236 1.620 12.701 1.00 1.21 O ATOM 742 CB ALA A 46 3.182 3.003 11.890 1.00 1.20 C ATOM 0 H ALA A 46 2.303 0.645 9.765 1.00 0.81 H new ATOM 0 HA ALA A 46 2.575 1.016 11.778 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.030 3.120 12.963 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.207 2.683 11.702 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.002 3.956 11.392 1.00 1.20 H new ATOM 748 N GLY A 47 0.142 3.190 11.151 1.00 0.99 N ATOM 749 CA GLY A 47 -1.111 3.687 11.631 1.00 1.10 C ATOM 750 C GLY A 47 -1.653 4.860 10.887 1.00 1.03 C ATOM 751 O GLY A 47 -2.848 5.153 10.857 1.00 1.30 O ATOM 0 H GLY A 47 0.463 3.621 10.284 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -1.843 2.881 11.591 1.00 1.10 H new ATOM 0 HA3 GLY A 47 -0.997 3.962 12.680 1.00 1.10 H new ATOM 755 N LYS A 48 -0.752 5.616 10.236 1.00 0.98 N ATOM 756 CA LYS A 48 -1.086 6.777 9.472 1.00 1.05 C ATOM 757 C LYS A 48 -1.173 6.364 8.043 1.00 0.84 C ATOM 758 O LYS A 48 -0.285 5.657 7.570 1.00 0.81 O ATOM 759 CB LYS A 48 -0.059 7.919 9.547 1.00 1.42 C ATOM 760 CG LYS A 48 0.280 8.361 10.971 1.00 1.61 C ATOM 761 CD LYS A 48 0.752 9.817 11.003 1.00 1.87 C ATOM 762 CE LYS A 48 1.191 10.307 12.384 1.00 2.22 C ATOM 763 NZ LYS A 48 2.550 9.820 12.712 1.00 2.55 N ATOM 0 H LYS A 48 0.247 5.411 10.242 1.00 0.98 H new ATOM 0 HA LYS A 48 -2.018 7.160 9.887 1.00 1.05 H new ATOM 0 HB2 LYS A 48 0.857 7.603 9.048 1.00 1.42 H new ATOM 0 HB3 LYS A 48 -0.443 8.776 8.994 1.00 1.42 H new ATOM 0 HG2 LYS A 48 -0.597 8.246 11.608 1.00 1.61 H new ATOM 0 HG3 LYS A 48 1.057 7.715 11.379 1.00 1.61 H new ATOM 0 HD2 LYS A 48 1.584 9.932 10.308 1.00 1.87 H new ATOM 0 HD3 LYS A 48 -0.054 10.456 10.643 1.00 1.87 H new ATOM 0 HE2 LYS A 48 1.175 11.397 12.409 1.00 2.22 H new ATOM 0 HE3 LYS A 48 0.485 9.960 13.138 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 2.825 10.166 13.654 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 2.556 8.780 12.710 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 3.225 10.172 12.003 1.00 2.55 H new ATOM 777 N GLN A 49 -2.156 6.936 7.326 1.00 0.84 N ATOM 778 CA GLN A 49 -2.467 6.797 5.937 1.00 0.80 C ATOM 779 C GLN A 49 -1.531 7.581 5.083 1.00 0.72 C ATOM 780 O GLN A 49 -1.433 8.805 5.162 1.00 0.83 O ATOM 781 CB GLN A 49 -3.855 7.376 5.611 1.00 1.03 C ATOM 782 CG GLN A 49 -5.016 6.803 6.426 1.00 1.67 C ATOM 783 CD GLN A 49 -6.225 7.707 6.229 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.928 7.646 5.221 1.00 2.24 O ATOM 785 NE2 GLN A 49 -6.619 8.440 7.305 1.00 2.48 N ATOM 0 H GLN A 49 -2.811 7.573 7.779 1.00 0.84 H new ATOM 0 HA GLN A 49 -2.407 5.727 5.738 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.824 8.455 5.764 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -4.060 7.210 4.553 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -5.244 5.787 6.102 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -4.750 6.749 7.482 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -6.029 8.484 8.136 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -7.505 8.946 7.281 1.00 2.48 H new ATOM 794 N LEU A 50 -0.804 6.903 4.176 1.00 0.69 N ATOM 795 CA LEU A 50 0.324 7.426 3.470 1.00 0.66 C ATOM 796 C LEU A 50 -0.143 8.253 2.321 1.00 0.72 C ATOM 797 O LEU A 50 -1.142 7.906 1.693 1.00 0.90 O ATOM 798 CB LEU A 50 1.218 6.283 2.962 1.00 0.65 C ATOM 799 CG LEU A 50 1.712 5.338 4.071 1.00 0.64 C ATOM 800 CD1 LEU A 50 2.742 4.334 3.527 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.301 6.013 5.322 1.00 0.74 C ATOM 0 H LEU A 50 -1.016 5.938 3.922 1.00 0.69 H new ATOM 0 HA LEU A 50 0.907 8.047 4.150 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.665 5.703 2.224 1.00 0.65 H new ATOM 0 HB3 LEU A 50 2.081 6.710 2.451 1.00 0.65 H new ATOM 0 HG LEU A 50 0.800 4.839 4.397 1.00 0.64 H new ATOM 0 HD11 LEU A 50 3.073 3.679 4.333 1.00 0.77 H new ATOM 0 HD12 LEU A 50 2.286 3.736 2.738 1.00 0.77 H new ATOM 0 HD13 LEU A 50 3.598 4.874 3.123 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.615 5.249 6.034 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.161 6.620 5.037 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.545 6.649 5.782 1.00 0.74 H new ATOM 813 N GLU A 51 0.596 9.334 2.014 1.00 0.70 N ATOM 814 CA GLU A 51 0.419 10.231 0.915 1.00 0.76 C ATOM 815 C GLU A 51 0.864 9.633 -0.374 1.00 0.77 C ATOM 816 O GLU A 51 1.999 9.196 -0.561 1.00 1.23 O ATOM 817 CB GLU A 51 1.127 11.580 1.125 1.00 0.88 C ATOM 818 CG GLU A 51 0.801 12.158 2.504 1.00 1.35 C ATOM 819 CD GLU A 51 1.345 13.549 2.793 1.00 1.46 C ATOM 820 OE1 GLU A 51 0.852 14.553 2.211 1.00 1.94 O ATOM 821 OE2 GLU A 51 2.269 13.683 3.639 1.00 1.89 O ATOM 0 H GLU A 51 1.392 9.603 2.592 1.00 0.70 H new ATOM 0 HA GLU A 51 -0.654 10.416 0.867 1.00 0.76 H new ATOM 0 HB2 GLU A 51 2.205 11.449 1.026 1.00 0.88 H new ATOM 0 HB3 GLU A 51 0.819 12.282 0.350 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -0.283 12.183 2.618 1.00 1.35 H new ATOM 0 HG3 GLU A 51 1.185 11.475 3.262 1.00 1.35 H new ATOM 828 N ASP A 52 -0.109 9.578 -1.301 1.00 0.66 N ATOM 829 CA ASP A 52 -0.034 8.903 -2.560 1.00 0.65 C ATOM 830 C ASP A 52 0.984 9.503 -3.468 1.00 0.60 C ATOM 831 O ASP A 52 1.712 8.825 -4.192 1.00 0.62 O ATOM 832 CB ASP A 52 -1.445 9.006 -3.164 1.00 0.81 C ATOM 833 CG ASP A 52 -2.505 8.572 -2.163 1.00 0.95 C ATOM 834 OD1 ASP A 52 -2.441 7.479 -1.539 1.00 1.56 O ATOM 835 OD2 ASP A 52 -3.458 9.371 -1.959 1.00 1.44 O ATOM 0 H ASP A 52 -1.009 10.037 -1.161 1.00 0.66 H new ATOM 0 HA ASP A 52 0.281 7.868 -2.426 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.635 10.033 -3.477 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -1.508 8.384 -4.057 1.00 0.81 H new ATOM 840 N GLY A 53 1.204 10.819 -3.300 1.00 0.68 N ATOM 841 CA GLY A 53 2.280 11.574 -3.865 1.00 0.73 C ATOM 842 C GLY A 53 3.569 11.728 -3.135 1.00 0.72 C ATOM 843 O GLY A 53 4.266 12.718 -3.348 1.00 0.97 O ATOM 0 H GLY A 53 0.586 11.396 -2.729 1.00 0.68 H new ATOM 0 HA2 GLY A 53 2.511 11.128 -4.832 1.00 0.73 H new ATOM 0 HA3 GLY A 53 1.900 12.577 -4.059 1.00 0.73 H new ATOM 847 N ARG A 54 4.058 10.756 -2.343 1.00 0.64 N ATOM 848 CA ARG A 54 5.387 10.685 -1.821 1.00 0.63 C ATOM 849 C ARG A 54 5.739 9.269 -2.128 1.00 0.59 C ATOM 850 O ARG A 54 4.912 8.527 -2.655 1.00 0.62 O ATOM 851 CB ARG A 54 5.428 10.849 -0.293 1.00 0.69 C ATOM 852 CG ARG A 54 5.006 12.269 0.088 1.00 0.82 C ATOM 853 CD ARG A 54 5.297 12.553 1.563 1.00 1.18 C ATOM 854 NE ARG A 54 4.471 13.739 1.927 1.00 1.50 N ATOM 855 CZ ARG A 54 4.477 14.999 1.401 1.00 2.00 C ATOM 856 NH1 ARG A 54 5.396 15.481 0.515 1.00 2.48 N ATOM 857 NH2 ARG A 54 3.577 15.926 1.842 1.00 2.49 N ATOM 0 H ARG A 54 3.484 9.966 -2.048 1.00 0.64 H new ATOM 0 HA ARG A 54 6.036 11.458 -2.233 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.764 10.124 0.178 1.00 0.69 H new ATOM 0 HB3 ARG A 54 6.433 10.647 0.077 1.00 0.69 H new ATOM 0 HG2 ARG A 54 5.536 12.989 -0.536 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.942 12.400 -0.108 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.040 11.694 2.183 1.00 1.18 H new ATOM 0 HD3 ARG A 54 6.357 12.754 1.719 1.00 1.18 H new ATOM 0 HE ARG A 54 3.802 13.587 2.681 1.00 1.50 H new ATOM 0 HH11 ARG A 54 6.157 14.883 0.194 1.00 2.48 H new ATOM 0 HH12 ARG A 54 5.322 16.439 0.174 1.00 2.48 H new ATOM 0 HH21 ARG A 54 2.901 15.677 2.564 1.00 2.49 H new ATOM 0 HH22 ARG A 54 3.581 16.867 1.450 1.00 2.49 H new ATOM 871 N THR A 55 6.978 8.823 -1.853 1.00 0.63 N ATOM 872 CA THR A 55 7.462 7.506 -2.128 1.00 0.61 C ATOM 873 C THR A 55 7.622 6.747 -0.856 1.00 0.59 C ATOM 874 O THR A 55 7.252 7.214 0.221 1.00 0.64 O ATOM 875 CB THR A 55 8.818 7.656 -2.748 1.00 0.68 C ATOM 876 OG1 THR A 55 9.749 8.290 -1.883 1.00 0.75 O ATOM 877 CG2 THR A 55 8.894 8.473 -4.050 1.00 0.76 C ATOM 0 H THR A 55 7.682 9.416 -1.413 1.00 0.63 H new ATOM 0 HA THR A 55 6.767 6.978 -2.781 1.00 0.61 H new ATOM 0 HB THR A 55 9.056 6.613 -2.958 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.503 9.232 -1.772 1.00 0.75 H new ATOM 0 HG21 THR A 55 9.926 8.508 -4.398 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.270 8.004 -4.811 1.00 0.76 H new ATOM 0 HG23 THR A 55 8.539 9.487 -3.865 1.00 0.76 H new ATOM 885 N LEU A 56 7.979 5.454 -0.948 1.00 0.58 N ATOM 886 CA LEU A 56 8.306 4.642 0.183 1.00 0.59 C ATOM 887 C LEU A 56 9.568 5.002 0.889 1.00 0.64 C ATOM 888 O LEU A 56 9.680 4.820 2.101 1.00 0.70 O ATOM 889 CB LEU A 56 8.312 3.160 -0.229 1.00 0.60 C ATOM 890 CG LEU A 56 7.202 2.700 -1.188 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.487 1.215 -1.471 1.00 1.05 C ATOM 892 CD2 LEU A 56 5.818 2.728 -0.519 1.00 1.03 C ATOM 0 H LEU A 56 8.042 4.958 -1.837 1.00 0.58 H new ATOM 0 HA LEU A 56 7.524 4.836 0.918 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.274 2.941 -0.693 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.250 2.556 0.676 1.00 0.60 H new ATOM 0 HG LEU A 56 7.195 3.349 -2.064 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.731 0.822 -2.151 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.472 1.114 -1.927 1.00 1.05 H new ATOM 0 HD13 LEU A 56 7.461 0.655 -0.536 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.063 2.396 -1.231 1.00 1.03 H new ATOM 0 HD22 LEU A 56 5.818 2.064 0.346 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.590 3.744 -0.196 1.00 1.03 H new ATOM 904 N SER A 57 10.529 5.667 0.225 1.00 0.68 N ATOM 905 CA SER A 57 11.803 6.109 0.702 1.00 0.75 C ATOM 906 C SER A 57 11.659 7.148 1.761 1.00 0.76 C ATOM 907 O SER A 57 12.328 7.142 2.793 1.00 0.84 O ATOM 908 CB SER A 57 12.574 6.773 -0.451 1.00 0.84 C ATOM 909 OG SER A 57 13.873 7.137 -0.012 1.00 1.19 O ATOM 0 H SER A 57 10.396 5.922 -0.754 1.00 0.68 H new ATOM 0 HA SER A 57 12.321 5.236 1.099 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.644 6.088 -1.296 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.037 7.655 -0.799 1.00 0.84 H new ATOM 0 HG SER A 57 14.362 7.558 -0.750 1.00 1.19 H new ATOM 915 N ASP A 58 10.692 8.061 1.561 1.00 0.75 N ATOM 916 CA ASP A 58 10.398 9.152 2.437 1.00 0.78 C ATOM 917 C ASP A 58 9.773 8.774 3.736 1.00 0.77 C ATOM 918 O ASP A 58 9.896 9.446 4.759 1.00 0.86 O ATOM 919 CB ASP A 58 9.415 10.176 1.845 1.00 0.83 C ATOM 920 CG ASP A 58 9.924 10.553 0.462 1.00 1.23 C ATOM 921 OD1 ASP A 58 11.056 11.101 0.385 1.00 1.90 O ATOM 922 OD2 ASP A 58 9.207 10.350 -0.555 1.00 1.86 O ATOM 0 H ASP A 58 10.083 8.036 0.744 1.00 0.75 H new ATOM 0 HA ASP A 58 11.397 9.563 2.585 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.412 9.753 1.782 1.00 0.83 H new ATOM 0 HB3 ASP A 58 9.350 11.058 2.483 1.00 0.83 H new ATOM 927 N TYR A 59 9.134 7.595 3.833 1.00 0.72 N ATOM 928 CA TYR A 59 8.520 7.023 4.991 1.00 0.73 C ATOM 929 C TYR A 59 9.484 6.079 5.622 1.00 0.76 C ATOM 930 O TYR A 59 9.133 5.444 6.616 1.00 0.89 O ATOM 931 CB TYR A 59 7.202 6.270 4.746 1.00 0.73 C ATOM 932 CG TYR A 59 6.167 7.284 4.400 1.00 0.67 C ATOM 933 CD1 TYR A 59 5.620 8.043 5.408 1.00 0.74 C ATOM 934 CD2 TYR A 59 5.716 7.480 3.115 1.00 0.67 C ATOM 935 CE1 TYR A 59 4.639 8.972 5.153 1.00 0.77 C ATOM 936 CE2 TYR A 59 4.697 8.362 2.843 1.00 0.70 C ATOM 937 CZ TYR A 59 4.157 9.098 3.871 1.00 0.74 C ATOM 938 OH TYR A 59 3.071 9.969 3.639 1.00 0.86 O ATOM 0 H TYR A 59 9.039 6.985 3.021 1.00 0.72 H new ATOM 0 HA TYR A 59 8.264 7.869 5.629 1.00 0.73 H new ATOM 0 HB2 TYR A 59 7.317 5.548 3.938 1.00 0.73 H new ATOM 0 HB3 TYR A 59 6.909 5.710 5.634 1.00 0.73 H new ATOM 0 HD1 TYR A 59 5.968 7.906 6.421 1.00 0.74 H new ATOM 0 HD2 TYR A 59 6.171 6.930 2.304 1.00 0.67 H new ATOM 0 HE1 TYR A 59 4.253 9.593 5.947 1.00 0.77 H new ATOM 0 HE2 TYR A 59 4.326 8.475 1.835 1.00 0.70 H new ATOM 0 HH TYR A 59 3.284 10.565 2.891 1.00 0.86 H new ATOM 948 N ASN A 60 10.657 5.890 4.993 1.00 0.74 N ATOM 949 CA ASN A 60 11.753 5.073 5.417 1.00 0.79 C ATOM 950 C ASN A 60 11.378 3.641 5.592 1.00 0.75 C ATOM 951 O ASN A 60 11.817 3.068 6.588 1.00 0.86 O ATOM 952 CB ASN A 60 12.323 5.548 6.763 1.00 0.95 C ATOM 953 CG ASN A 60 12.804 6.968 6.498 1.00 1.25 C ATOM 954 OD1 ASN A 60 13.628 7.243 5.627 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.332 7.930 7.335 1.00 1.83 N ATOM 0 H ASN A 60 10.855 6.352 4.106 1.00 0.74 H new ATOM 0 HA ASN A 60 12.492 5.165 4.621 1.00 0.79 H new ATOM 0 HB2 ASN A 60 11.564 5.526 7.545 1.00 0.95 H new ATOM 0 HB3 ASN A 60 13.141 4.908 7.095 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.661 8.891 7.244 1.00 1.83 H new ATOM 0 HD22 ASN A 60 11.649 7.690 8.054 1.00 1.83 H new ATOM 962 N ILE A 61 10.559 3.211 4.615 1.00 0.67 N ATOM 963 CA ILE A 61 10.007 1.894 4.543 1.00 0.65 C ATOM 964 C ILE A 61 11.095 1.052 3.971 1.00 0.66 C ATOM 965 O ILE A 61 11.793 1.324 2.995 1.00 0.75 O ATOM 966 CB ILE A 61 8.717 1.839 3.777 1.00 0.63 C ATOM 967 CG1 ILE A 61 7.580 2.506 4.569 1.00 0.70 C ATOM 968 CG2 ILE A 61 8.289 0.430 3.336 1.00 0.72 C ATOM 969 CD1 ILE A 61 6.277 2.742 3.807 1.00 0.82 C ATOM 0 H ILE A 61 10.269 3.809 3.841 1.00 0.67 H new ATOM 0 HA ILE A 61 9.708 1.523 5.523 1.00 0.65 H new ATOM 0 HB ILE A 61 8.914 2.394 2.860 1.00 0.63 H new ATOM 0 HG12 ILE A 61 7.361 1.888 5.440 1.00 0.70 H new ATOM 0 HG13 ILE A 61 7.938 3.466 4.941 1.00 0.70 H new ATOM 0 HG21 ILE A 61 7.347 0.490 2.790 1.00 0.72 H new ATOM 0 HG22 ILE A 61 9.056 0.002 2.690 1.00 0.72 H new ATOM 0 HG23 ILE A 61 8.160 -0.203 4.214 1.00 0.72 H new ATOM 0 HD11 ILE A 61 5.551 3.217 4.467 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.468 3.390 2.951 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.881 1.788 3.458 1.00 0.82 H new ATOM 981 N GLN A 62 11.393 -0.043 4.694 1.00 0.67 N ATOM 982 CA GLN A 62 12.368 -1.048 4.410 1.00 0.70 C ATOM 983 C GLN A 62 11.763 -2.195 3.674 1.00 0.62 C ATOM 984 O GLN A 62 10.561 -2.221 3.416 1.00 0.64 O ATOM 985 CB GLN A 62 13.021 -1.367 5.766 1.00 0.85 C ATOM 986 CG GLN A 62 13.648 -0.123 6.399 1.00 1.27 C ATOM 987 CD GLN A 62 14.031 -0.269 7.864 1.00 1.57 C ATOM 988 OE1 GLN A 62 13.582 -1.201 8.530 1.00 2.08 O ATOM 989 NE2 GLN A 62 14.676 0.828 8.344 1.00 2.16 N ATOM 0 H GLN A 62 10.899 -0.241 5.564 1.00 0.67 H new ATOM 0 HA GLN A 62 13.148 -0.727 3.720 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.273 -1.781 6.442 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.786 -2.131 5.631 1.00 0.85 H new ATOM 0 HG2 GLN A 62 14.539 0.145 5.831 1.00 1.27 H new ATOM 0 HG3 GLN A 62 12.948 0.707 6.303 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.010 1.546 7.701 1.00 2.16 H new ATOM 0 HE22 GLN A 62 14.826 0.933 9.347 1.00 2.16 H new ATOM 998 N LYS A 63 12.599 -3.227 3.469 1.00 0.64 N ATOM 999 CA LYS A 63 12.124 -4.442 2.883 1.00 0.62 C ATOM 1000 C LYS A 63 11.273 -5.211 3.833 1.00 0.59 C ATOM 1001 O LYS A 63 11.432 -5.045 5.041 1.00 0.66 O ATOM 1002 CB LYS A 63 13.363 -5.264 2.491 1.00 0.74 C ATOM 1003 CG LYS A 63 14.098 -5.851 3.698 1.00 0.89 C ATOM 1004 CD LYS A 63 15.151 -6.865 3.249 1.00 1.11 C ATOM 1005 CE LYS A 63 15.820 -7.834 4.227 1.00 1.47 C ATOM 1006 NZ LYS A 63 14.855 -8.562 5.081 1.00 2.12 N ATOM 0 H LYS A 63 13.591 -3.223 3.705 1.00 0.64 H new ATOM 0 HA LYS A 63 11.503 -4.221 2.015 1.00 0.62 H new ATOM 0 HB2 LYS A 63 13.060 -6.074 1.828 1.00 0.74 H new ATOM 0 HB3 LYS A 63 14.049 -4.631 1.928 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.575 -5.051 4.264 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.384 -6.332 4.366 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.688 -7.474 2.472 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.951 -6.297 2.775 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.413 -8.555 3.665 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.511 -7.279 4.862 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 15.271 -9.466 5.382 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 14.631 -7.988 5.919 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 13.984 -8.744 4.543 1.00 2.12 H new ATOM 1020 N GLU A 64 10.326 -5.989 3.278 1.00 0.57 N ATOM 1021 CA GLU A 64 9.482 -6.838 4.060 1.00 0.58 C ATOM 1022 C GLU A 64 8.669 -6.224 5.146 1.00 0.56 C ATOM 1023 O GLU A 64 8.511 -6.769 6.237 1.00 0.70 O ATOM 1024 CB GLU A 64 10.102 -8.173 4.506 1.00 0.72 C ATOM 1025 CG GLU A 64 10.884 -8.974 3.464 1.00 0.96 C ATOM 1026 CD GLU A 64 11.853 -10.017 4.002 1.00 1.18 C ATOM 1027 OE1 GLU A 64 11.401 -11.017 4.622 1.00 1.71 O ATOM 1028 OE2 GLU A 64 13.065 -9.922 3.674 1.00 1.69 O ATOM 0 H GLU A 64 10.144 -6.029 2.275 1.00 0.57 H new ATOM 0 HA GLU A 64 8.749 -7.064 3.286 1.00 0.58 H new ATOM 0 HB2 GLU A 64 10.769 -7.970 5.344 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.299 -8.807 4.884 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.169 -9.476 2.811 1.00 0.96 H new ATOM 0 HG3 GLU A 64 11.444 -8.274 2.845 1.00 0.96 H new ATOM 1035 N SER A 65 8.071 -5.053 4.855 1.00 0.51 N ATOM 1036 CA SER A 65 7.328 -4.263 5.787 1.00 0.51 C ATOM 1037 C SER A 65 5.909 -4.585 5.466 1.00 0.43 C ATOM 1038 O SER A 65 5.632 -4.646 4.269 1.00 0.50 O ATOM 1039 CB SER A 65 7.483 -2.745 5.601 1.00 0.65 C ATOM 1040 OG SER A 65 8.755 -2.151 5.817 1.00 1.04 O ATOM 0 H SER A 65 8.108 -4.638 3.924 1.00 0.51 H new ATOM 0 HA SER A 65 7.668 -4.487 6.798 1.00 0.51 H new ATOM 0 HB2 SER A 65 7.177 -2.505 4.583 1.00 0.65 H new ATOM 0 HB3 SER A 65 6.774 -2.257 6.270 1.00 0.65 H new ATOM 0 HG SER A 65 9.294 -2.226 5.002 1.00 1.04 H new ATOM 1046 N THR A 66 5.029 -4.662 6.480 1.00 0.45 N ATOM 1047 CA THR A 66 3.651 -4.958 6.240 1.00 0.45 C ATOM 1048 C THR A 66 2.877 -3.689 6.346 1.00 0.43 C ATOM 1049 O THR A 66 2.689 -3.059 7.384 1.00 0.58 O ATOM 1050 CB THR A 66 3.047 -5.937 7.202 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.775 -7.145 7.373 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.565 -6.293 6.998 1.00 0.78 C ATOM 0 H THR A 66 5.270 -4.520 7.461 1.00 0.45 H new ATOM 0 HA THR A 66 3.604 -5.414 5.251 1.00 0.45 H new ATOM 0 HB THR A 66 3.115 -5.340 8.112 1.00 0.61 H new ATOM 0 HG1 THR A 66 3.309 -7.719 8.016 1.00 0.79 H new ATOM 0 HG21 THR A 66 1.255 -7.009 7.759 1.00 0.78 H new ATOM 0 HG22 THR A 66 0.959 -5.390 7.080 1.00 0.78 H new ATOM 0 HG23 THR A 66 1.429 -6.732 6.010 1.00 0.78 H new ATOM 1060 N LEU A 67 2.405 -3.283 5.152 1.00 0.38 N ATOM 1061 CA LEU A 67 1.631 -2.130 4.812 1.00 0.38 C ATOM 1062 C LEU A 67 0.171 -2.420 4.751 1.00 0.37 C ATOM 1063 O LEU A 67 -0.243 -3.381 4.104 1.00 0.50 O ATOM 1064 CB LEU A 67 2.034 -1.580 3.434 1.00 0.46 C ATOM 1065 CG LEU A 67 3.180 -0.556 3.362 1.00 0.65 C ATOM 1066 CD1 LEU A 67 4.595 -1.138 3.526 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.027 0.235 2.052 1.00 1.31 C ATOM 0 H LEU A 67 2.595 -3.841 4.320 1.00 0.38 H new ATOM 0 HA LEU A 67 1.830 -1.404 5.601 1.00 0.38 H new ATOM 0 HB2 LEU A 67 2.306 -2.427 2.805 1.00 0.46 H new ATOM 0 HB3 LEU A 67 1.151 -1.122 2.988 1.00 0.46 H new ATOM 0 HG LEU A 67 3.087 0.100 4.227 1.00 0.65 H new ATOM 0 HD11 LEU A 67 5.329 -0.335 3.460 1.00 1.40 H new ATOM 0 HD12 LEU A 67 4.678 -1.626 4.497 1.00 1.40 H new ATOM 0 HD13 LEU A 67 4.782 -1.867 2.737 1.00 1.40 H new ATOM 0 HD21 LEU A 67 3.828 0.970 1.975 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.080 -0.450 1.205 1.00 1.31 H new ATOM 0 HD23 LEU A 67 2.064 0.746 2.046 1.00 1.31 H new ATOM 1079 N HIS A 68 -0.643 -1.820 5.638 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.019 -2.199 5.734 1.00 0.37 C ATOM 1081 C HIS A 68 -2.954 -1.502 4.807 1.00 0.35 C ATOM 1082 O HIS A 68 -3.123 -0.284 4.807 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.528 -1.943 7.163 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.765 -2.843 8.089 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -2.142 -4.110 8.486 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -0.633 -2.539 8.779 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -1.223 -4.502 9.409 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.280 -3.596 9.592 1.00 1.51 N ATOM 0 H HIS A 68 -0.354 -1.082 6.281 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.023 -3.252 5.453 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.382 -0.899 7.439 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.597 -2.144 7.230 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -0.091 -1.608 8.702 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -1.260 -5.446 9.932 1.00 1.41 H new ATOM 0 HE2 HIS A 68 0.534 -3.663 10.203 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.675 -2.247 3.950 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.549 -1.673 2.975 1.00 0.38 C ATOM 1098 C LEU A 69 -5.900 -1.507 3.581 1.00 0.41 C ATOM 1099 O LEU A 69 -6.375 -2.431 4.240 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.506 -2.589 1.740 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.431 -2.170 0.585 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -4.862 -2.726 -0.731 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -6.920 -2.548 0.639 1.00 1.14 C ATOM 0 H LEU A 69 -3.650 -3.267 3.934 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.248 -0.676 2.653 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.482 -2.626 1.370 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.770 -3.601 2.048 1.00 0.48 H new ATOM 0 HG LEU A 69 -5.434 -1.083 0.671 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -5.509 -2.436 -1.559 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -3.862 -2.324 -0.894 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.811 -3.813 -0.675 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -7.423 -2.175 -0.253 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -7.019 -3.633 0.684 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -7.376 -2.105 1.524 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.472 -0.335 3.252 1.00 0.45 N ATOM 1116 CA VAL A 70 -7.814 -0.010 3.620 1.00 0.56 C ATOM 1117 C VAL A 70 -8.632 0.375 2.436 1.00 0.55 C ATOM 1118 O VAL A 70 -8.093 0.695 1.378 1.00 0.58 O ATOM 1119 CB VAL A 70 -7.873 1.030 4.700 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -7.263 0.501 6.009 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -7.255 2.367 4.258 1.00 0.97 C ATOM 0 H VAL A 70 -5.996 0.396 2.724 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.253 -0.917 4.036 1.00 0.56 H new ATOM 0 HB VAL A 70 -8.924 1.240 4.896 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -7.318 1.275 6.775 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -7.817 -0.378 6.340 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -6.220 0.231 5.841 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.322 3.086 5.074 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -6.209 2.214 3.994 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -7.796 2.749 3.392 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.967 0.351 2.600 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.915 0.683 1.581 1.00 0.84 C ATOM 1133 C LEU A 71 -11.402 2.076 1.791 1.00 0.85 C ATOM 1134 O LEU A 71 -11.459 2.627 2.889 1.00 1.03 O ATOM 1135 CB LEU A 71 -12.050 -0.347 1.470 1.00 1.26 C ATOM 1136 CG LEU A 71 -11.543 -1.708 0.964 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -12.676 -2.742 0.843 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -10.746 -1.756 -0.350 1.00 2.78 C ATOM 0 H LEU A 71 -10.405 0.088 3.483 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.416 0.643 0.613 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.521 -0.475 2.445 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.817 0.029 0.793 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.829 -1.945 1.752 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -12.269 -3.687 0.482 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -13.136 -2.894 1.820 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -13.427 -2.379 0.141 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -10.463 -2.786 -0.566 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -11.361 -1.371 -1.163 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -9.848 -1.145 -0.254 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.799 2.685 0.659 1.00 0.92 N ATOM 1151 CA ARG A 72 -12.267 4.029 0.524 1.00 1.10 C ATOM 1152 C ARG A 72 -13.454 4.257 -0.347 1.00 1.35 C ATOM 1153 O ARG A 72 -13.661 3.854 -1.490 1.00 1.56 O ATOM 1154 CB ARG A 72 -11.140 4.849 -0.128 1.00 1.34 C ATOM 1155 CG ARG A 72 -11.122 6.371 0.016 1.00 1.65 C ATOM 1156 CD ARG A 72 -9.745 7.019 -0.149 1.00 1.99 C ATOM 1157 NE ARG A 72 -9.766 8.382 0.451 1.00 2.54 N ATOM 1158 CZ ARG A 72 -9.569 9.485 -0.329 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -9.227 9.407 -1.648 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -9.947 10.693 0.181 1.00 3.75 N ATOM 0 H ARG A 72 -11.791 2.194 -0.235 1.00 0.92 H new ATOM 0 HA ARG A 72 -12.558 4.310 1.536 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -10.196 4.475 0.267 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -11.150 4.624 -1.195 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -11.799 6.799 -0.723 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -11.515 6.633 0.998 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -8.983 6.408 0.335 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -9.483 7.078 -1.205 1.00 1.99 H new ATOM 0 HE ARG A 72 -9.929 8.492 1.452 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -9.108 8.496 -2.091 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -9.090 10.260 -2.191 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -10.359 10.747 1.112 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -9.817 11.542 -0.369 1.00 3.75 H new ATOM 1174 N LEU A 73 -14.312 5.174 0.134 1.00 1.54 N ATOM 1175 CA LEU A 73 -15.488 5.688 -0.495 1.00 1.93 C ATOM 1176 C LEU A 73 -15.128 7.004 -1.095 1.00 2.13 C ATOM 1177 O LEU A 73 -14.142 7.602 -0.669 1.00 2.57 O ATOM 1178 CB LEU A 73 -16.678 5.777 0.476 1.00 2.23 C ATOM 1179 CG LEU A 73 -17.406 4.458 0.785 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -18.529 4.733 1.799 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -18.028 3.973 -0.535 1.00 3.14 C ATOM 0 H LEU A 73 -14.166 5.594 1.052 1.00 1.54 H new ATOM 0 HA LEU A 73 -15.828 5.009 -1.277 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -16.322 6.199 1.416 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -17.403 6.480 0.065 1.00 2.23 H new ATOM 0 HG LEU A 73 -16.724 3.714 1.197 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -19.051 3.803 2.025 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -18.101 5.140 2.715 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -19.232 5.451 1.377 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -18.558 3.036 -0.365 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -18.727 4.723 -0.905 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -17.241 3.816 -1.272 1.00 3.14 H new ATOM 1193 N ARG A 74 -15.910 7.417 -2.107 1.00 2.32 N ATOM 1194 CA ARG A 74 -15.869 8.655 -2.821 1.00 2.55 C ATOM 1195 C ARG A 74 -16.482 9.764 -2.035 1.00 2.58 C ATOM 1196 O ARG A 74 -17.699 9.939 -2.006 1.00 3.08 O ATOM 1197 CB ARG A 74 -16.392 8.453 -4.253 1.00 3.29 C ATOM 1198 CG ARG A 74 -16.448 9.676 -5.170 1.00 4.01 C ATOM 1199 CD ARG A 74 -15.092 10.157 -5.693 1.00 4.67 C ATOM 1200 NE ARG A 74 -14.426 9.084 -6.483 1.00 5.36 N ATOM 1201 CZ ARG A 74 -13.236 9.119 -7.151 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -12.225 9.981 -6.842 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -12.992 8.170 -8.101 1.00 6.80 N ATOM 0 H ARG A 74 -16.652 6.814 -2.462 1.00 2.32 H new ATOM 0 HA ARG A 74 -14.839 8.990 -2.947 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -15.767 7.701 -4.735 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -17.397 8.037 -4.187 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -17.087 9.443 -6.022 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -16.923 10.495 -4.630 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -15.229 11.042 -6.314 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -14.456 10.449 -4.857 1.00 4.67 H new ATOM 0 HE ARG A 74 -14.930 8.199 -6.532 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -12.337 10.645 -6.076 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -11.357 9.961 -7.377 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -13.692 7.455 -8.299 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -12.110 8.176 -8.613 1.00 6.80 H new ATOM 1217 N GLY A 75 -15.622 10.505 -1.315 1.00 2.73 N ATOM 1218 CA GLY A 75 -16.068 11.478 -0.366 1.00 3.22 C ATOM 1219 C GLY A 75 -14.926 11.774 0.543 1.00 3.16 C ATOM 1220 O GLY A 75 -13.757 11.715 0.165 1.00 3.57 O ATOM 0 H GLY A 75 -14.608 10.429 -1.391 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -16.399 12.384 -0.873 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -16.920 11.100 0.199 1.00 3.22 H new ATOM 1224 N GLY A 76 -15.170 12.135 1.815 1.00 3.14 N ATOM 1225 CA GLY A 76 -14.093 12.480 2.689 1.00 3.37 C ATOM 1226 C GLY A 76 -14.548 12.446 4.141 1.00 3.48 C ATOM 1227 O GLY A 76 -15.149 13.424 4.659 1.00 3.87 O ATOM 1228 OXT GLY A 76 -14.514 11.373 4.801 1.00 3.70 O ATOM 0 H GLY A 76 -16.099 12.188 2.234 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -13.265 11.786 2.546 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -13.722 13.475 2.442 1.00 3.37 H new TER 1232 GLY A 76