USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 22 THR OG1 : rot -40:sc= 1.14 USER MOD Set 1.2: A 25 ASN : amide:sc= 1.25 K(o=2.4,f=-3.8!) USER MOD Set 2.1: A 7 THR OG1 : rot 125:sc= 1.4 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.44 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.27 (180deg=1.18) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= 0.817 (180deg=0.558) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -89:sc= 0.687 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 1.35 (180deg=1.04) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.831 K(o=-0.83,f=-1.5) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.289 K(o=-0.29,f=-1.9) USER MOD Single : A 41 GLN : amide:sc= 1.07 K(o=1.1,f=-4!) USER MOD Single : A 48 LYS NZ :NH3+ -135:sc= 1.21 (180deg=0.0386) USER MOD Single : A 49 GLN : amide:sc= -0.861 K(o=-0.86,f=-2.9!) USER MOD Single : A 55 THR OG1 : rot -55:sc= 1.16 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= 0.0972 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 146:sc= 1.22 (180deg=1.12) USER MOD Single : A 65 SER OG : rot -128:sc= 1.16 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.292 -4.839 -3.279 1.00 0.78 N ATOM 2 CA MET A 1 13.025 -5.498 -1.981 1.00 0.70 C ATOM 3 C MET A 1 11.579 -5.854 -1.937 1.00 0.62 C ATOM 4 O MET A 1 10.720 -5.316 -2.634 1.00 0.68 O ATOM 5 CB MET A 1 13.237 -4.564 -0.778 1.00 0.75 C ATOM 6 CG MET A 1 12.375 -3.319 -0.561 1.00 0.79 C ATOM 7 SD MET A 1 13.077 -2.125 0.617 1.00 1.10 S ATOM 8 CE MET A 1 11.804 -0.833 0.531 1.00 0.84 C ATOM 0 H1 MET A 1 14.248 -4.430 -3.270 1.00 0.78 H new ATOM 0 H2 MET A 1 13.222 -5.539 -4.045 1.00 0.78 H new ATOM 0 H3 MET A 1 12.594 -4.084 -3.435 1.00 0.78 H new ATOM 0 HA MET A 1 13.705 -6.347 -1.913 1.00 0.70 H new ATOM 0 HB2 MET A 1 13.137 -5.177 0.118 1.00 0.75 H new ATOM 0 HB3 MET A 1 14.273 -4.227 -0.820 1.00 0.75 H new ATOM 0 HG2 MET A 1 12.226 -2.822 -1.520 1.00 0.79 H new ATOM 0 HG3 MET A 1 11.392 -3.628 -0.206 1.00 0.79 H new ATOM 0 HE1 MET A 1 12.072 -0.013 1.197 1.00 0.84 H new ATOM 0 HE2 MET A 1 11.731 -0.461 -0.491 1.00 0.84 H new ATOM 0 HE3 MET A 1 10.843 -1.248 0.835 1.00 0.84 H new ATOM 20 N GLN A 2 11.182 -6.872 -1.154 1.00 0.59 N ATOM 21 CA GLN A 2 9.823 -7.307 -1.049 1.00 0.56 C ATOM 22 C GLN A 2 9.125 -6.649 0.091 1.00 0.50 C ATOM 23 O GLN A 2 9.696 -6.464 1.164 1.00 0.60 O ATOM 24 CB GLN A 2 9.738 -8.839 -0.948 1.00 0.71 C ATOM 25 CG GLN A 2 10.420 -9.399 -2.198 1.00 1.15 C ATOM 26 CD GLN A 2 10.299 -10.915 -2.162 1.00 1.30 C ATOM 27 OE1 GLN A 2 10.214 -11.585 -1.133 1.00 1.87 O ATOM 28 NE2 GLN A 2 10.220 -11.477 -3.397 1.00 1.72 N ATOM 0 H GLN A 2 11.827 -7.410 -0.575 1.00 0.59 H new ATOM 0 HA GLN A 2 9.310 -7.005 -1.962 1.00 0.56 H new ATOM 0 HB2 GLN A 2 10.232 -9.196 -0.044 1.00 0.71 H new ATOM 0 HB3 GLN A 2 8.700 -9.167 -0.894 1.00 0.71 H new ATOM 0 HG2 GLN A 2 9.952 -9.001 -3.098 1.00 1.15 H new ATOM 0 HG3 GLN A 2 11.468 -9.101 -2.226 1.00 1.15 H new ATOM 0 HE21 GLN A 2 10.294 -10.892 -4.229 1.00 1.72 H new ATOM 0 HE22 GLN A 2 10.086 -12.484 -3.492 1.00 1.72 H new ATOM 37 N ILE A 3 7.875 -6.166 -0.027 1.00 0.44 N ATOM 38 CA ILE A 3 7.055 -5.629 1.013 1.00 0.42 C ATOM 39 C ILE A 3 5.740 -6.309 0.847 1.00 0.40 C ATOM 40 O ILE A 3 5.481 -6.995 -0.139 1.00 0.50 O ATOM 41 CB ILE A 3 6.867 -4.143 0.927 1.00 0.48 C ATOM 42 CG1 ILE A 3 6.196 -3.547 -0.321 1.00 0.55 C ATOM 43 CG2 ILE A 3 8.256 -3.498 1.067 1.00 0.61 C ATOM 44 CD1 ILE A 3 5.661 -2.127 -0.140 1.00 0.72 C ATOM 0 H ILE A 3 7.399 -6.151 -0.929 1.00 0.44 H new ATOM 0 HA ILE A 3 7.524 -5.800 1.982 1.00 0.42 H new ATOM 0 HB ILE A 3 6.156 -3.923 1.724 1.00 0.48 H new ATOM 0 HG12 ILE A 3 6.916 -3.548 -1.140 1.00 0.55 H new ATOM 0 HG13 ILE A 3 5.373 -4.196 -0.619 1.00 0.55 H new ATOM 0 HG21 ILE A 3 8.161 -2.414 1.009 1.00 0.61 H new ATOM 0 HG22 ILE A 3 8.690 -3.774 2.028 1.00 0.61 H new ATOM 0 HG23 ILE A 3 8.903 -3.849 0.263 1.00 0.61 H new ATOM 0 HD11 ILE A 3 5.205 -1.789 -1.070 1.00 0.72 H new ATOM 0 HD12 ILE A 3 4.914 -2.118 0.654 1.00 0.72 H new ATOM 0 HD13 ILE A 3 6.481 -1.460 0.126 1.00 0.72 H new ATOM 56 N PHE A 4 4.954 -6.243 1.937 1.00 0.37 N ATOM 57 CA PHE A 4 3.751 -7.012 2.009 1.00 0.38 C ATOM 58 C PHE A 4 2.617 -6.069 2.221 1.00 0.39 C ATOM 59 O PHE A 4 2.747 -5.054 2.904 1.00 0.60 O ATOM 60 CB PHE A 4 3.711 -7.952 3.225 1.00 0.45 C ATOM 61 CG PHE A 4 4.932 -8.804 3.251 1.00 0.51 C ATOM 62 CD1 PHE A 4 5.423 -9.377 2.101 1.00 1.16 C ATOM 63 CD2 PHE A 4 5.628 -8.914 4.432 1.00 1.30 C ATOM 64 CE1 PHE A 4 6.574 -10.125 2.184 1.00 1.23 C ATOM 65 CE2 PHE A 4 6.767 -9.678 4.532 1.00 1.40 C ATOM 66 CZ PHE A 4 7.244 -10.255 3.378 1.00 0.85 C ATOM 0 H PHE A 4 5.147 -5.667 2.756 1.00 0.37 H new ATOM 0 HA PHE A 4 3.694 -7.595 1.090 1.00 0.38 H new ATOM 0 HB2 PHE A 4 3.645 -7.369 4.144 1.00 0.45 H new ATOM 0 HB3 PHE A 4 2.821 -8.579 3.181 1.00 0.45 H new ATOM 0 HD1 PHE A 4 4.917 -9.243 1.156 1.00 1.16 H new ATOM 0 HD2 PHE A 4 5.271 -8.386 5.304 1.00 1.30 H new ATOM 0 HE1 PHE A 4 6.956 -10.616 1.301 1.00 1.23 H new ATOM 0 HE2 PHE A 4 7.267 -9.819 5.479 1.00 1.40 H new ATOM 0 HZ PHE A 4 8.163 -10.821 3.410 1.00 0.85 H new ATOM 76 N VAL A 5 1.488 -6.386 1.564 1.00 0.35 N ATOM 77 CA VAL A 5 0.298 -5.615 1.752 1.00 0.35 C ATOM 78 C VAL A 5 -0.657 -6.596 2.341 1.00 0.35 C ATOM 79 O VAL A 5 -0.837 -7.681 1.790 1.00 0.46 O ATOM 80 CB VAL A 5 -0.215 -5.041 0.466 1.00 0.44 C ATOM 81 CG1 VAL A 5 -1.301 -4.006 0.805 1.00 0.58 C ATOM 82 CG2 VAL A 5 0.851 -4.350 -0.402 1.00 0.56 C ATOM 0 H VAL A 5 1.398 -7.165 0.911 1.00 0.35 H new ATOM 0 HA VAL A 5 0.460 -4.744 2.387 1.00 0.35 H new ATOM 0 HB VAL A 5 -0.589 -5.881 -0.119 1.00 0.44 H new ATOM 0 HG11 VAL A 5 -1.691 -3.573 -0.116 1.00 0.58 H new ATOM 0 HG12 VAL A 5 -2.111 -4.493 1.348 1.00 0.58 H new ATOM 0 HG13 VAL A 5 -0.872 -3.218 1.423 1.00 0.58 H new ATOM 0 HG21 VAL A 5 0.387 -3.966 -1.311 1.00 0.56 H new ATOM 0 HG22 VAL A 5 1.295 -3.525 0.155 1.00 0.56 H new ATOM 0 HG23 VAL A 5 1.627 -5.069 -0.666 1.00 0.56 H new ATOM 92 N LYS A 6 -1.180 -6.337 3.552 1.00 0.36 N ATOM 93 CA LYS A 6 -2.172 -7.220 4.084 1.00 0.39 C ATOM 94 C LYS A 6 -3.515 -6.655 3.774 1.00 0.46 C ATOM 95 O LYS A 6 -3.726 -5.455 3.946 1.00 0.53 O ATOM 96 CB LYS A 6 -2.077 -7.391 5.609 1.00 0.54 C ATOM 97 CG LYS A 6 -3.094 -8.349 6.233 1.00 1.22 C ATOM 98 CD LYS A 6 -2.726 -8.778 7.655 1.00 1.37 C ATOM 99 CE LYS A 6 -2.627 -7.627 8.658 1.00 1.93 C ATOM 100 NZ LYS A 6 -2.319 -8.104 10.024 1.00 2.09 N ATOM 0 H LYS A 6 -0.929 -5.546 4.145 1.00 0.36 H new ATOM 0 HA LYS A 6 -2.010 -8.197 3.629 1.00 0.39 H new ATOM 0 HB2 LYS A 6 -1.075 -7.743 5.855 1.00 0.54 H new ATOM 0 HB3 LYS A 6 -2.194 -6.412 6.074 1.00 0.54 H new ATOM 0 HG2 LYS A 6 -4.073 -7.870 6.247 1.00 1.22 H new ATOM 0 HG3 LYS A 6 -3.182 -9.235 5.604 1.00 1.22 H new ATOM 0 HD2 LYS A 6 -3.471 -9.490 8.010 1.00 1.37 H new ATOM 0 HD3 LYS A 6 -1.771 -9.303 7.627 1.00 1.37 H new ATOM 0 HE2 LYS A 6 -1.853 -6.931 8.335 1.00 1.93 H new ATOM 0 HE3 LYS A 6 -3.567 -7.076 8.670 1.00 1.93 H new ATOM 0 HZ1 LYS A 6 -2.261 -7.292 10.671 1.00 2.09 H new ATOM 0 HZ2 LYS A 6 -3.070 -8.749 10.344 1.00 2.09 H new ATOM 0 HZ3 LYS A 6 -1.409 -8.608 10.019 1.00 2.09 H new ATOM 114 N THR A 7 -4.480 -7.407 3.216 1.00 0.58 N ATOM 115 CA THR A 7 -5.798 -6.908 2.970 1.00 0.78 C ATOM 116 C THR A 7 -6.730 -6.978 4.131 1.00 0.94 C ATOM 117 O THR A 7 -6.293 -7.515 5.148 1.00 0.99 O ATOM 118 CB THR A 7 -6.372 -7.596 1.766 1.00 0.90 C ATOM 119 OG1 THR A 7 -6.639 -8.971 1.993 1.00 0.90 O ATOM 120 CG2 THR A 7 -5.360 -7.379 0.627 1.00 0.92 C ATOM 0 H THR A 7 -4.344 -8.377 2.931 1.00 0.58 H new ATOM 0 HA THR A 7 -5.690 -5.839 2.784 1.00 0.78 H new ATOM 0 HB THR A 7 -7.345 -7.174 1.512 1.00 0.90 H new ATOM 0 HG1 THR A 7 -7.577 -9.161 1.784 1.00 0.90 H new ATOM 0 HG21 THR A 7 -5.725 -7.860 -0.281 1.00 0.92 H new ATOM 0 HG22 THR A 7 -5.238 -6.311 0.448 1.00 0.92 H new ATOM 0 HG23 THR A 7 -4.400 -7.812 0.906 1.00 0.92 H new ATOM 128 N LEU A 8 -8.013 -6.607 3.981 1.00 1.17 N ATOM 129 CA LEU A 8 -8.991 -6.806 5.005 1.00 1.39 C ATOM 130 C LEU A 8 -9.252 -8.265 5.161 1.00 1.44 C ATOM 131 O LEU A 8 -9.294 -8.744 6.294 1.00 1.60 O ATOM 132 CB LEU A 8 -10.330 -6.114 4.699 1.00 1.66 C ATOM 133 CG LEU A 8 -9.985 -4.618 4.789 1.00 2.11 C ATOM 134 CD1 LEU A 8 -10.820 -3.862 3.742 1.00 2.53 C ATOM 135 CD2 LEU A 8 -10.153 -4.060 6.212 1.00 2.43 C ATOM 0 H LEU A 8 -8.377 -6.163 3.138 1.00 1.17 H new ATOM 0 HA LEU A 8 -8.584 -6.368 5.916 1.00 1.39 H new ATOM 0 HB2 LEU A 8 -10.704 -6.382 3.711 1.00 1.66 H new ATOM 0 HB3 LEU A 8 -11.100 -6.393 5.418 1.00 1.66 H new ATOM 0 HG LEU A 8 -8.928 -4.475 4.565 1.00 2.11 H new ATOM 0 HD11 LEU A 8 -10.588 -2.798 3.791 1.00 2.53 H new ATOM 0 HD12 LEU A 8 -10.584 -4.239 2.747 1.00 2.53 H new ATOM 0 HD13 LEU A 8 -11.880 -4.012 3.945 1.00 2.53 H new ATOM 0 HD21 LEU A 8 -9.897 -3.001 6.220 1.00 2.43 H new ATOM 0 HD22 LEU A 8 -11.187 -4.186 6.532 1.00 2.43 H new ATOM 0 HD23 LEU A 8 -9.494 -4.598 6.894 1.00 2.43 H new ATOM 147 N THR A 9 -9.336 -9.003 4.041 1.00 1.41 N ATOM 148 CA THR A 9 -9.601 -10.405 3.928 1.00 1.51 C ATOM 149 C THR A 9 -8.386 -11.137 4.384 1.00 1.37 C ATOM 150 O THR A 9 -8.487 -12.347 4.579 1.00 1.62 O ATOM 151 CB THR A 9 -10.071 -10.824 2.567 1.00 1.65 C ATOM 152 OG1 THR A 9 -9.377 -10.113 1.553 1.00 1.89 O ATOM 153 CG2 THR A 9 -11.548 -10.412 2.433 1.00 2.08 C ATOM 0 H THR A 9 -9.205 -8.574 3.125 1.00 1.41 H new ATOM 0 HA THR A 9 -10.444 -10.661 4.569 1.00 1.51 H new ATOM 0 HB THR A 9 -9.910 -11.897 2.458 1.00 1.65 H new ATOM 0 HG1 THR A 9 -9.697 -10.402 0.673 1.00 1.89 H new ATOM 0 HG21 THR A 9 -11.920 -10.704 1.451 1.00 2.08 H new ATOM 0 HG22 THR A 9 -12.136 -10.908 3.206 1.00 2.08 H new ATOM 0 HG23 THR A 9 -11.636 -9.332 2.548 1.00 2.08 H new ATOM 161 N GLY A 10 -7.214 -10.495 4.538 1.00 1.18 N ATOM 162 CA GLY A 10 -6.031 -11.112 5.052 1.00 1.22 C ATOM 163 C GLY A 10 -5.137 -11.660 3.994 1.00 0.99 C ATOM 164 O GLY A 10 -4.418 -12.628 4.236 1.00 1.31 O ATOM 0 H GLY A 10 -7.086 -9.512 4.296 1.00 1.18 H new ATOM 0 HA2 GLY A 10 -5.477 -10.382 5.642 1.00 1.22 H new ATOM 0 HA3 GLY A 10 -6.316 -11.918 5.729 1.00 1.22 H new ATOM 168 N LYS A 11 -5.061 -11.110 2.769 1.00 0.73 N ATOM 169 CA LYS A 11 -4.350 -11.721 1.689 1.00 0.60 C ATOM 170 C LYS A 11 -2.991 -11.112 1.653 1.00 0.51 C ATOM 171 O LYS A 11 -2.800 -9.908 1.824 1.00 0.63 O ATOM 172 CB LYS A 11 -5.023 -11.385 0.347 1.00 0.75 C ATOM 173 CG LYS A 11 -4.407 -12.104 -0.854 1.00 0.87 C ATOM 174 CD LYS A 11 -5.228 -11.997 -2.140 1.00 1.04 C ATOM 175 CE LYS A 11 -4.678 -12.786 -3.330 1.00 1.30 C ATOM 176 NZ LYS A 11 -5.649 -13.146 -4.388 1.00 1.40 N ATOM 0 H LYS A 11 -5.502 -10.224 2.524 1.00 0.73 H new ATOM 0 HA LYS A 11 -4.327 -12.801 1.834 1.00 0.60 H new ATOM 0 HB2 LYS A 11 -6.081 -11.642 0.408 1.00 0.75 H new ATOM 0 HB3 LYS A 11 -4.965 -10.309 0.182 1.00 0.75 H new ATOM 0 HG2 LYS A 11 -3.413 -11.696 -1.036 1.00 0.87 H new ATOM 0 HG3 LYS A 11 -4.278 -13.157 -0.605 1.00 0.87 H new ATOM 0 HD2 LYS A 11 -6.242 -12.340 -1.935 1.00 1.04 H new ATOM 0 HD3 LYS A 11 -5.297 -10.946 -2.422 1.00 1.04 H new ATOM 0 HE2 LYS A 11 -3.877 -12.203 -3.785 1.00 1.30 H new ATOM 0 HE3 LYS A 11 -4.229 -13.704 -2.952 1.00 1.30 H new ATOM 0 HZ1 LYS A 11 -5.281 -13.948 -4.939 1.00 1.40 H new ATOM 0 HZ2 LYS A 11 -6.555 -13.412 -3.952 1.00 1.40 H new ATOM 0 HZ3 LYS A 11 -5.794 -12.331 -5.018 1.00 1.40 H new ATOM 190 N THR A 12 -1.934 -11.933 1.520 1.00 0.49 N ATOM 191 CA THR A 12 -0.583 -11.484 1.377 1.00 0.48 C ATOM 192 C THR A 12 -0.080 -11.165 0.012 1.00 0.52 C ATOM 193 O THR A 12 0.356 -12.069 -0.700 1.00 0.72 O ATOM 194 CB THR A 12 0.370 -12.397 2.089 1.00 0.64 C ATOM 195 OG1 THR A 12 -0.181 -12.729 3.356 1.00 0.77 O ATOM 196 CG2 THR A 12 1.791 -11.827 2.231 1.00 0.78 C ATOM 0 H THR A 12 -2.023 -12.949 1.512 1.00 0.49 H new ATOM 0 HA THR A 12 -0.623 -10.503 1.850 1.00 0.48 H new ATOM 0 HB THR A 12 0.489 -13.292 1.478 1.00 0.64 H new ATOM 0 HG1 THR A 12 0.431 -13.328 3.832 1.00 0.77 H new ATOM 0 HG21 THR A 12 2.420 -12.545 2.756 1.00 0.78 H new ATOM 0 HG22 THR A 12 2.207 -11.635 1.242 1.00 0.78 H new ATOM 0 HG23 THR A 12 1.755 -10.895 2.796 1.00 0.78 H new ATOM 204 N ILE A 13 -0.266 -9.880 -0.336 1.00 0.48 N ATOM 205 CA ILE A 13 0.212 -9.339 -1.570 1.00 0.55 C ATOM 206 C ILE A 13 1.666 -9.035 -1.451 1.00 0.51 C ATOM 207 O ILE A 13 2.005 -8.134 -0.686 1.00 0.56 O ATOM 208 CB ILE A 13 -0.582 -8.206 -2.149 1.00 0.69 C ATOM 209 CG1 ILE A 13 -2.053 -8.601 -2.362 1.00 1.15 C ATOM 210 CG2 ILE A 13 0.041 -7.691 -3.458 1.00 1.13 C ATOM 211 CD1 ILE A 13 -2.357 -9.650 -3.430 1.00 1.55 C ATOM 0 H ILE A 13 -0.757 -9.204 0.250 1.00 0.48 H new ATOM 0 HA ILE A 13 0.062 -10.118 -2.317 1.00 0.55 H new ATOM 0 HB ILE A 13 -0.555 -7.392 -1.424 1.00 0.69 H new ATOM 0 HG12 ILE A 13 -2.444 -8.966 -1.412 1.00 1.15 H new ATOM 0 HG13 ILE A 13 -2.611 -7.698 -2.610 1.00 1.15 H new ATOM 0 HG21 ILE A 13 -0.561 -6.870 -3.849 1.00 1.13 H new ATOM 0 HG22 ILE A 13 1.054 -7.338 -3.265 1.00 1.13 H new ATOM 0 HG23 ILE A 13 0.072 -8.499 -4.189 1.00 1.13 H new ATOM 0 HD11 ILE A 13 -3.432 -9.829 -3.469 1.00 1.55 H new ATOM 0 HD12 ILE A 13 -2.013 -9.292 -4.400 1.00 1.55 H new ATOM 0 HD13 ILE A 13 -1.844 -10.579 -3.184 1.00 1.55 H new ATOM 223 N THR A 14 2.618 -9.707 -2.123 1.00 0.55 N ATOM 224 CA THR A 14 4.015 -9.419 -2.018 1.00 0.54 C ATOM 225 C THR A 14 4.471 -8.677 -3.227 1.00 0.55 C ATOM 226 O THR A 14 4.350 -9.158 -4.352 1.00 0.72 O ATOM 227 CB THR A 14 4.888 -10.600 -1.715 1.00 0.67 C ATOM 228 OG1 THR A 14 4.647 -11.203 -0.451 1.00 1.08 O ATOM 229 CG2 THR A 14 6.376 -10.207 -1.738 1.00 1.03 C ATOM 0 H THR A 14 2.409 -10.476 -2.760 1.00 0.55 H new ATOM 0 HA THR A 14 4.129 -8.786 -1.138 1.00 0.54 H new ATOM 0 HB THR A 14 4.638 -11.318 -2.496 1.00 0.67 H new ATOM 0 HG1 THR A 14 5.208 -10.774 0.228 1.00 1.08 H new ATOM 0 HG21 THR A 14 6.987 -11.082 -1.515 1.00 1.03 H new ATOM 0 HG22 THR A 14 6.636 -9.825 -2.725 1.00 1.03 H new ATOM 0 HG23 THR A 14 6.560 -9.436 -0.990 1.00 1.03 H new ATOM 237 N LEU A 15 4.880 -7.404 -3.077 1.00 0.50 N ATOM 238 CA LEU A 15 5.334 -6.566 -4.143 1.00 0.55 C ATOM 239 C LEU A 15 6.812 -6.406 -4.049 1.00 0.52 C ATOM 240 O LEU A 15 7.406 -6.377 -2.972 1.00 0.58 O ATOM 241 CB LEU A 15 4.669 -5.184 -4.031 1.00 0.69 C ATOM 242 CG LEU A 15 3.136 -5.303 -4.079 1.00 0.76 C ATOM 243 CD1 LEU A 15 2.458 -3.936 -3.889 1.00 1.38 C ATOM 244 CD2 LEU A 15 2.631 -6.084 -5.305 1.00 1.55 C ATOM 0 H LEU A 15 4.895 -6.938 -2.170 1.00 0.50 H new ATOM 0 HA LEU A 15 5.072 -7.021 -5.098 1.00 0.55 H new ATOM 0 HB2 LEU A 15 4.971 -4.706 -3.099 1.00 0.69 H new ATOM 0 HB3 LEU A 15 5.013 -4.544 -4.844 1.00 0.69 H new ATOM 0 HG LEU A 15 2.834 -5.912 -3.227 1.00 0.76 H new ATOM 0 HD11 LEU A 15 1.376 -4.058 -3.929 1.00 1.38 H new ATOM 0 HD12 LEU A 15 2.741 -3.521 -2.922 1.00 1.38 H new ATOM 0 HD13 LEU A 15 2.776 -3.259 -4.682 1.00 1.38 H new ATOM 0 HD21 LEU A 15 1.542 -6.133 -5.282 1.00 1.55 H new ATOM 0 HD22 LEU A 15 2.952 -5.579 -6.216 1.00 1.55 H new ATOM 0 HD23 LEU A 15 3.040 -7.094 -5.287 1.00 1.55 H new ATOM 256 N GLU A 16 7.492 -6.355 -5.209 1.00 0.59 N ATOM 257 CA GLU A 16 8.876 -6.002 -5.268 1.00 0.63 C ATOM 258 C GLU A 16 8.864 -4.533 -5.516 1.00 0.65 C ATOM 259 O GLU A 16 8.223 -4.079 -6.462 1.00 0.81 O ATOM 260 CB GLU A 16 9.584 -6.784 -6.388 1.00 0.76 C ATOM 261 CG GLU A 16 11.051 -6.450 -6.666 1.00 1.41 C ATOM 262 CD GLU A 16 11.591 -7.408 -7.717 1.00 1.52 C ATOM 263 OE1 GLU A 16 11.879 -8.569 -7.319 1.00 1.95 O ATOM 264 OE2 GLU A 16 11.849 -6.980 -8.873 1.00 1.92 O ATOM 0 H GLU A 16 7.076 -6.561 -6.117 1.00 0.59 H new ATOM 0 HA GLU A 16 9.426 -6.248 -4.359 1.00 0.63 H new ATOM 0 HB2 GLU A 16 9.521 -7.845 -6.149 1.00 0.76 H new ATOM 0 HB3 GLU A 16 9.024 -6.631 -7.310 1.00 0.76 H new ATOM 0 HG2 GLU A 16 11.143 -5.421 -7.013 1.00 1.41 H new ATOM 0 HG3 GLU A 16 11.635 -6.530 -5.749 1.00 1.41 H new ATOM 271 N VAL A 17 9.525 -3.754 -4.641 1.00 0.61 N ATOM 272 CA VAL A 17 9.548 -2.325 -4.671 1.00 0.63 C ATOM 273 C VAL A 17 10.955 -1.872 -4.491 1.00 0.65 C ATOM 274 O VAL A 17 11.688 -2.651 -3.883 1.00 0.76 O ATOM 275 CB VAL A 17 8.707 -1.613 -3.651 1.00 0.70 C ATOM 276 CG1 VAL A 17 7.204 -1.752 -3.942 1.00 0.96 C ATOM 277 CG2 VAL A 17 9.021 -2.158 -2.247 1.00 0.92 C ATOM 0 H VAL A 17 10.072 -4.142 -3.873 1.00 0.61 H new ATOM 0 HA VAL A 17 9.114 -2.065 -5.637 1.00 0.63 H new ATOM 0 HB VAL A 17 8.953 -0.552 -3.702 1.00 0.70 H new ATOM 0 HG11 VAL A 17 6.635 -1.221 -3.179 1.00 0.96 H new ATOM 0 HG12 VAL A 17 6.982 -1.327 -4.921 1.00 0.96 H new ATOM 0 HG13 VAL A 17 6.928 -2.806 -3.933 1.00 0.96 H new ATOM 0 HG21 VAL A 17 8.409 -1.639 -1.510 1.00 0.92 H new ATOM 0 HG22 VAL A 17 8.802 -3.225 -2.214 1.00 0.92 H new ATOM 0 HG23 VAL A 17 10.075 -1.997 -2.021 1.00 0.92 H new ATOM 287 N GLU A 18 11.309 -0.629 -4.867 1.00 0.68 N ATOM 288 CA GLU A 18 12.468 0.071 -4.408 1.00 0.74 C ATOM 289 C GLU A 18 11.940 1.148 -3.524 1.00 0.71 C ATOM 290 O GLU A 18 10.752 1.461 -3.583 1.00 0.74 O ATOM 291 CB GLU A 18 13.286 0.677 -5.561 1.00 0.88 C ATOM 292 CG GLU A 18 13.924 -0.338 -6.512 1.00 1.16 C ATOM 293 CD GLU A 18 14.753 -1.477 -5.938 1.00 1.71 C ATOM 294 OE1 GLU A 18 15.380 -1.205 -4.879 1.00 2.33 O ATOM 295 OE2 GLU A 18 14.950 -2.615 -6.445 1.00 2.35 O ATOM 0 H GLU A 18 10.755 -0.084 -5.528 1.00 0.68 H new ATOM 0 HA GLU A 18 13.151 -0.605 -3.893 1.00 0.74 H new ATOM 0 HB2 GLU A 18 12.637 1.334 -6.139 1.00 0.88 H new ATOM 0 HB3 GLU A 18 14.074 1.300 -5.138 1.00 0.88 H new ATOM 0 HG2 GLU A 18 13.123 -0.782 -7.103 1.00 1.16 H new ATOM 0 HG3 GLU A 18 14.561 0.215 -7.202 1.00 1.16 H new ATOM 302 N PRO A 19 12.722 1.722 -2.659 1.00 0.74 N ATOM 303 CA PRO A 19 12.248 2.747 -1.776 1.00 0.74 C ATOM 304 C PRO A 19 12.014 4.058 -2.444 1.00 0.70 C ATOM 305 O PRO A 19 11.224 4.834 -1.909 1.00 0.74 O ATOM 306 CB PRO A 19 13.294 2.843 -0.667 1.00 0.86 C ATOM 307 CG PRO A 19 14.629 2.429 -1.304 1.00 0.95 C ATOM 308 CD PRO A 19 14.129 1.463 -2.390 1.00 0.82 C ATOM 0 HA PRO A 19 11.263 2.486 -1.388 1.00 0.74 H new ATOM 0 HB2 PRO A 19 13.349 3.857 -0.270 1.00 0.86 H new ATOM 0 HB3 PRO A 19 13.040 2.188 0.166 1.00 0.86 H new ATOM 0 HG2 PRO A 19 15.171 3.278 -1.721 1.00 0.95 H new ATOM 0 HG3 PRO A 19 15.296 1.944 -0.592 1.00 0.95 H new ATOM 0 HD2 PRO A 19 14.714 1.589 -3.301 1.00 0.82 H new ATOM 0 HD3 PRO A 19 14.264 0.432 -2.065 1.00 0.82 H new ATOM 316 N SER A 20 12.531 4.232 -3.673 1.00 0.70 N ATOM 317 CA SER A 20 12.279 5.378 -4.491 1.00 0.74 C ATOM 318 C SER A 20 10.928 5.388 -5.121 1.00 0.71 C ATOM 319 O SER A 20 10.334 6.451 -5.287 1.00 0.80 O ATOM 320 CB SER A 20 13.398 5.602 -5.523 1.00 0.89 C ATOM 321 OG SER A 20 13.634 4.635 -6.536 1.00 1.45 O ATOM 0 H SER A 20 13.148 3.549 -4.114 1.00 0.70 H new ATOM 0 HA SER A 20 12.283 6.228 -3.808 1.00 0.74 H new ATOM 0 HB2 SER A 20 13.195 6.550 -6.021 1.00 0.89 H new ATOM 0 HB3 SER A 20 14.329 5.726 -4.970 1.00 0.89 H new ATOM 0 HG SER A 20 14.374 4.932 -7.105 1.00 1.45 H new ATOM 327 N ASP A 21 10.294 4.222 -5.342 1.00 0.70 N ATOM 328 CA ASP A 21 9.002 4.218 -5.955 1.00 0.73 C ATOM 329 C ASP A 21 7.942 4.912 -5.170 1.00 0.64 C ATOM 330 O ASP A 21 8.010 5.055 -3.951 1.00 0.66 O ATOM 331 CB ASP A 21 8.510 2.805 -6.314 1.00 0.87 C ATOM 332 CG ASP A 21 9.405 2.300 -7.437 1.00 1.05 C ATOM 333 OD1 ASP A 21 9.598 3.008 -8.461 1.00 1.69 O ATOM 334 OD2 ASP A 21 10.138 1.292 -7.256 1.00 1.50 O ATOM 0 H ASP A 21 10.665 3.302 -5.103 1.00 0.70 H new ATOM 0 HA ASP A 21 9.164 4.788 -6.870 1.00 0.73 H new ATOM 0 HB2 ASP A 21 8.566 2.145 -5.449 1.00 0.87 H new ATOM 0 HB3 ASP A 21 7.467 2.828 -6.631 1.00 0.87 H new ATOM 339 N THR A 22 6.832 5.303 -5.821 1.00 0.63 N ATOM 340 CA THR A 22 5.757 5.979 -5.165 1.00 0.58 C ATOM 341 C THR A 22 4.615 5.179 -4.642 1.00 0.53 C ATOM 342 O THR A 22 4.408 4.032 -5.037 1.00 0.58 O ATOM 343 CB THR A 22 5.219 7.210 -5.831 1.00 0.63 C ATOM 344 OG1 THR A 22 4.447 6.917 -6.985 1.00 0.70 O ATOM 345 CG2 THR A 22 6.330 8.186 -6.256 1.00 0.75 C ATOM 0 H THR A 22 6.679 5.148 -6.817 1.00 0.63 H new ATOM 0 HA THR A 22 6.345 6.277 -4.297 1.00 0.58 H new ATOM 0 HB THR A 22 4.588 7.672 -5.072 1.00 0.63 H new ATOM 0 HG1 THR A 22 4.870 6.188 -7.485 1.00 0.70 H new ATOM 0 HG21 THR A 22 5.884 9.059 -6.733 1.00 0.75 H new ATOM 0 HG22 THR A 22 6.894 8.500 -5.378 1.00 0.75 H new ATOM 0 HG23 THR A 22 7.000 7.691 -6.959 1.00 0.75 H new ATOM 353 N ILE A 23 3.776 5.810 -3.800 1.00 0.51 N ATOM 354 CA ILE A 23 2.594 5.241 -3.230 1.00 0.48 C ATOM 355 C ILE A 23 1.527 5.079 -4.256 1.00 0.48 C ATOM 356 O ILE A 23 0.846 4.055 -4.245 1.00 0.51 O ATOM 357 CB ILE A 23 2.066 6.138 -2.150 1.00 0.52 C ATOM 358 CG1 ILE A 23 3.202 6.429 -1.155 1.00 0.60 C ATOM 359 CG2 ILE A 23 0.778 5.678 -1.446 1.00 0.61 C ATOM 360 CD1 ILE A 23 3.778 5.279 -0.329 1.00 0.73 C ATOM 0 H ILE A 23 3.932 6.772 -3.500 1.00 0.51 H new ATOM 0 HA ILE A 23 2.861 4.265 -2.825 1.00 0.48 H new ATOM 0 HB ILE A 23 1.739 7.052 -2.646 1.00 0.52 H new ATOM 0 HG12 ILE A 23 4.024 6.875 -1.715 1.00 0.60 H new ATOM 0 HG13 ILE A 23 2.843 7.187 -0.458 1.00 0.60 H new ATOM 0 HG21 ILE A 23 0.497 6.408 -0.687 1.00 0.61 H new ATOM 0 HG22 ILE A 23 -0.025 5.589 -2.178 1.00 0.61 H new ATOM 0 HG23 ILE A 23 0.947 4.711 -0.973 1.00 0.61 H new ATOM 0 HD11 ILE A 23 4.568 5.657 0.320 1.00 0.73 H new ATOM 0 HD12 ILE A 23 2.989 4.837 0.280 1.00 0.73 H new ATOM 0 HD13 ILE A 23 4.188 4.521 -0.997 1.00 0.73 H new ATOM 372 N GLU A 24 1.438 5.994 -5.239 1.00 0.50 N ATOM 373 CA GLU A 24 0.654 5.771 -6.414 1.00 0.53 C ATOM 374 C GLU A 24 1.017 4.600 -7.262 1.00 0.50 C ATOM 375 O GLU A 24 0.117 3.911 -7.740 1.00 0.55 O ATOM 376 CB GLU A 24 0.806 6.976 -7.356 1.00 0.64 C ATOM 377 CG GLU A 24 -0.003 7.036 -8.653 1.00 0.95 C ATOM 378 CD GLU A 24 -0.162 8.407 -9.294 1.00 1.05 C ATOM 379 OE1 GLU A 24 0.766 8.992 -9.914 1.00 1.56 O ATOM 380 OE2 GLU A 24 -1.285 8.957 -9.141 1.00 1.62 O ATOM 0 H GLU A 24 1.914 6.896 -5.218 1.00 0.50 H new ATOM 0 HA GLU A 24 -0.344 5.598 -6.011 1.00 0.53 H new ATOM 0 HB2 GLU A 24 0.565 7.870 -6.781 1.00 0.64 H new ATOM 0 HB3 GLU A 24 1.860 7.046 -7.627 1.00 0.64 H new ATOM 0 HG2 GLU A 24 0.468 6.373 -9.379 1.00 0.95 H new ATOM 0 HG3 GLU A 24 -0.997 6.636 -8.453 1.00 0.95 H new ATOM 387 N ASN A 25 2.298 4.217 -7.405 1.00 0.51 N ATOM 388 CA ASN A 25 2.674 3.025 -8.100 1.00 0.52 C ATOM 389 C ASN A 25 2.343 1.772 -7.366 1.00 0.47 C ATOM 390 O ASN A 25 1.853 0.819 -7.970 1.00 0.53 O ATOM 391 CB ASN A 25 4.177 2.903 -8.404 1.00 0.64 C ATOM 392 CG ASN A 25 4.768 4.088 -9.155 1.00 1.23 C ATOM 393 OD1 ASN A 25 5.477 4.909 -8.572 1.00 2.13 O ATOM 394 ND2 ASN A 25 4.435 4.211 -10.468 1.00 1.57 N ATOM 0 H ASN A 25 3.087 4.744 -7.031 1.00 0.51 H new ATOM 0 HA ASN A 25 2.096 3.127 -9.018 1.00 0.52 H new ATOM 0 HB2 ASN A 25 4.716 2.779 -7.465 1.00 0.64 H new ATOM 0 HB3 ASN A 25 4.344 1.999 -8.989 1.00 0.64 H new ATOM 0 HD21 ASN A 25 4.775 5.006 -11.008 1.00 1.57 H new ATOM 0 HD22 ASN A 25 3.845 3.508 -10.913 1.00 1.57 H new ATOM 401 N VAL A 26 2.549 1.761 -6.036 1.00 0.45 N ATOM 402 CA VAL A 26 2.169 0.678 -5.183 1.00 0.44 C ATOM 403 C VAL A 26 0.700 0.432 -5.225 1.00 0.40 C ATOM 404 O VAL A 26 0.273 -0.719 -5.148 1.00 0.44 O ATOM 405 CB VAL A 26 2.684 0.936 -3.799 1.00 0.50 C ATOM 406 CG1 VAL A 26 2.152 -0.094 -2.789 1.00 0.60 C ATOM 407 CG2 VAL A 26 4.220 1.020 -3.827 1.00 0.62 C ATOM 0 H VAL A 26 2.995 2.532 -5.538 1.00 0.45 H new ATOM 0 HA VAL A 26 2.624 -0.245 -5.543 1.00 0.44 H new ATOM 0 HB VAL A 26 2.307 1.898 -3.451 1.00 0.50 H new ATOM 0 HG11 VAL A 26 2.549 0.129 -1.799 1.00 0.60 H new ATOM 0 HG12 VAL A 26 1.063 -0.048 -2.762 1.00 0.60 H new ATOM 0 HG13 VAL A 26 2.466 -1.094 -3.089 1.00 0.60 H new ATOM 0 HG21 VAL A 26 4.593 1.208 -2.820 1.00 0.62 H new ATOM 0 HG22 VAL A 26 4.629 0.079 -4.196 1.00 0.62 H new ATOM 0 HG23 VAL A 26 4.528 1.833 -4.485 1.00 0.62 H new ATOM 417 N LYS A 27 -0.202 1.427 -5.285 1.00 0.40 N ATOM 418 CA LYS A 27 -1.587 1.340 -5.628 1.00 0.41 C ATOM 419 C LYS A 27 -1.858 0.826 -6.999 1.00 0.38 C ATOM 420 O LYS A 27 -2.779 0.028 -7.171 1.00 0.42 O ATOM 421 CB LYS A 27 -2.271 2.708 -5.473 1.00 0.51 C ATOM 422 CG LYS A 27 -2.348 3.028 -3.978 1.00 0.76 C ATOM 423 CD LYS A 27 -3.044 4.372 -3.749 1.00 0.82 C ATOM 424 CE LYS A 27 -3.270 4.839 -2.310 1.00 1.22 C ATOM 425 NZ LYS A 27 -4.083 6.074 -2.383 1.00 1.11 N ATOM 0 H LYS A 27 0.068 2.387 -5.072 1.00 0.40 H new ATOM 0 HA LYS A 27 -1.999 0.611 -4.930 1.00 0.41 H new ATOM 0 HB2 LYS A 27 -1.708 3.478 -6.000 1.00 0.51 H new ATOM 0 HB3 LYS A 27 -3.269 2.688 -5.911 1.00 0.51 H new ATOM 0 HG2 LYS A 27 -2.891 2.238 -3.459 1.00 0.76 H new ATOM 0 HG3 LYS A 27 -1.344 3.056 -3.554 1.00 0.76 H new ATOM 0 HD2 LYS A 27 -2.461 5.139 -4.259 1.00 0.82 H new ATOM 0 HD3 LYS A 27 -4.016 4.331 -4.241 1.00 0.82 H new ATOM 0 HE2 LYS A 27 -3.784 4.072 -1.731 1.00 1.22 H new ATOM 0 HE3 LYS A 27 -2.319 5.031 -1.812 1.00 1.22 H new ATOM 0 HZ1 LYS A 27 -3.842 6.696 -1.585 1.00 1.11 H new ATOM 0 HZ2 LYS A 27 -3.887 6.566 -3.278 1.00 1.11 H new ATOM 0 HZ3 LYS A 27 -5.093 5.828 -2.337 1.00 1.11 H new ATOM 439 N ALA A 28 -1.088 1.219 -8.029 1.00 0.39 N ATOM 440 CA ALA A 28 -1.266 0.613 -9.312 1.00 0.39 C ATOM 441 C ALA A 28 -0.910 -0.832 -9.344 1.00 0.36 C ATOM 442 O ALA A 28 -1.555 -1.675 -9.966 1.00 0.42 O ATOM 443 CB ALA A 28 -0.325 1.251 -10.349 1.00 0.51 C ATOM 0 H ALA A 28 -0.363 1.935 -7.979 1.00 0.39 H new ATOM 0 HA ALA A 28 -2.324 0.757 -9.531 1.00 0.39 H new ATOM 0 HB1 ALA A 28 -0.476 0.776 -11.318 1.00 0.51 H new ATOM 0 HB2 ALA A 28 -0.541 2.316 -10.429 1.00 0.51 H new ATOM 0 HB3 ALA A 28 0.710 1.113 -10.035 1.00 0.51 H new ATOM 449 N LYS A 29 0.097 -1.259 -8.560 1.00 0.39 N ATOM 450 CA LYS A 29 0.427 -2.642 -8.408 1.00 0.43 C ATOM 451 C LYS A 29 -0.649 -3.557 -7.934 1.00 0.44 C ATOM 452 O LYS A 29 -0.867 -4.663 -8.427 1.00 0.54 O ATOM 453 CB LYS A 29 1.693 -2.916 -7.579 1.00 0.54 C ATOM 454 CG LYS A 29 2.959 -2.361 -8.235 1.00 0.65 C ATOM 455 CD LYS A 29 4.267 -2.910 -7.663 1.00 1.08 C ATOM 456 CE LYS A 29 5.548 -2.252 -8.180 1.00 1.24 C ATOM 457 NZ LYS A 29 5.906 -2.577 -9.579 1.00 1.44 N ATOM 0 H LYS A 29 0.693 -0.631 -8.021 1.00 0.39 H new ATOM 0 HA LYS A 29 0.608 -2.886 -9.455 1.00 0.43 H new ATOM 0 HB2 LYS A 29 1.577 -2.474 -6.590 1.00 0.54 H new ATOM 0 HB3 LYS A 29 1.804 -3.991 -7.437 1.00 0.54 H new ATOM 0 HG2 LYS A 29 2.925 -2.580 -9.302 1.00 0.65 H new ATOM 0 HG3 LYS A 29 2.960 -1.276 -8.132 1.00 0.65 H new ATOM 0 HD2 LYS A 29 4.239 -2.805 -6.578 1.00 1.08 H new ATOM 0 HD3 LYS A 29 4.316 -3.977 -7.879 1.00 1.08 H new ATOM 0 HE2 LYS A 29 5.443 -1.171 -8.091 1.00 1.24 H new ATOM 0 HE3 LYS A 29 6.375 -2.546 -7.533 1.00 1.24 H new ATOM 0 HZ1 LYS A 29 6.786 -2.085 -9.835 1.00 1.44 H new ATOM 0 HZ2 LYS A 29 6.043 -3.604 -9.673 1.00 1.44 H new ATOM 0 HZ3 LYS A 29 5.141 -2.271 -10.213 1.00 1.44 H new ATOM 471 N ILE A 30 -1.336 -3.100 -6.873 1.00 0.41 N ATOM 472 CA ILE A 30 -2.491 -3.739 -6.321 1.00 0.44 C ATOM 473 C ILE A 30 -3.690 -3.710 -7.205 1.00 0.45 C ATOM 474 O ILE A 30 -4.510 -4.620 -7.325 1.00 0.56 O ATOM 475 CB ILE A 30 -2.844 -3.215 -4.960 1.00 0.45 C ATOM 476 CG1 ILE A 30 -1.593 -3.291 -4.068 1.00 0.52 C ATOM 477 CG2 ILE A 30 -4.032 -3.903 -4.271 1.00 0.56 C ATOM 478 CD1 ILE A 30 -1.715 -2.354 -2.866 1.00 1.32 C ATOM 0 H ILE A 30 -1.076 -2.247 -6.377 1.00 0.41 H new ATOM 0 HA ILE A 30 -2.193 -4.783 -6.229 1.00 0.44 H new ATOM 0 HB ILE A 30 -3.178 -2.188 -5.107 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -1.451 -4.315 -3.722 1.00 0.52 H new ATOM 0 HG13 ILE A 30 -0.711 -3.027 -4.651 1.00 0.52 H new ATOM 0 HG21 ILE A 30 -4.200 -3.447 -3.295 1.00 0.56 H new ATOM 0 HG22 ILE A 30 -4.925 -3.787 -4.885 1.00 0.56 H new ATOM 0 HG23 ILE A 30 -3.814 -4.963 -4.144 1.00 0.56 H new ATOM 0 HD11 ILE A 30 -0.816 -2.429 -2.254 1.00 1.32 H new ATOM 0 HD12 ILE A 30 -1.832 -1.328 -3.215 1.00 1.32 H new ATOM 0 HD13 ILE A 30 -2.584 -2.636 -2.271 1.00 1.32 H new ATOM 490 N GLN A 31 -3.955 -2.604 -7.921 1.00 0.41 N ATOM 491 CA GLN A 31 -4.987 -2.550 -8.910 1.00 0.48 C ATOM 492 C GLN A 31 -4.798 -3.579 -9.970 1.00 0.52 C ATOM 493 O GLN A 31 -5.727 -4.263 -10.400 1.00 0.66 O ATOM 494 CB GLN A 31 -5.132 -1.186 -9.605 1.00 0.52 C ATOM 495 CG GLN A 31 -6.363 -1.045 -10.502 1.00 0.70 C ATOM 496 CD GLN A 31 -6.553 0.329 -11.126 1.00 0.97 C ATOM 497 OE1 GLN A 31 -5.692 1.206 -11.173 1.00 1.70 O ATOM 498 NE2 GLN A 31 -7.724 0.535 -11.786 1.00 1.43 N ATOM 0 H GLN A 31 -3.442 -1.729 -7.811 1.00 0.41 H new ATOM 0 HA GLN A 31 -5.896 -2.741 -8.340 1.00 0.48 H new ATOM 0 HB2 GLN A 31 -5.166 -0.408 -8.842 1.00 0.52 H new ATOM 0 HB3 GLN A 31 -4.241 -1.005 -10.206 1.00 0.52 H new ATOM 0 HG2 GLN A 31 -6.298 -1.784 -11.301 1.00 0.70 H new ATOM 0 HG3 GLN A 31 -7.250 -1.287 -9.916 1.00 0.70 H new ATOM 0 HE21 GLN A 31 -8.454 -0.177 -11.763 1.00 1.43 H new ATOM 0 HE22 GLN A 31 -7.872 1.401 -12.304 1.00 1.43 H new ATOM 507 N ASP A 32 -3.528 -3.811 -10.350 1.00 0.50 N ATOM 508 CA ASP A 32 -3.134 -4.792 -11.313 1.00 0.60 C ATOM 509 C ASP A 32 -3.356 -6.198 -10.873 1.00 0.65 C ATOM 510 O ASP A 32 -3.743 -7.130 -11.577 1.00 0.81 O ATOM 511 CB ASP A 32 -1.697 -4.529 -11.792 1.00 0.67 C ATOM 512 CG ASP A 32 -1.254 -5.441 -12.928 1.00 0.91 C ATOM 513 OD1 ASP A 32 -2.068 -5.690 -13.857 1.00 1.51 O ATOM 514 OD2 ASP A 32 -0.121 -5.991 -12.881 1.00 1.55 O ATOM 0 H ASP A 32 -2.739 -3.290 -9.967 1.00 0.50 H new ATOM 0 HA ASP A 32 -3.799 -4.679 -12.169 1.00 0.60 H new ATOM 0 HB2 ASP A 32 -1.616 -3.492 -12.118 1.00 0.67 H new ATOM 0 HB3 ASP A 32 -1.015 -4.653 -10.951 1.00 0.67 H new ATOM 519 N LYS A 33 -3.165 -6.496 -9.576 1.00 0.62 N ATOM 520 CA LYS A 33 -3.259 -7.790 -8.977 1.00 0.73 C ATOM 521 C LYS A 33 -4.692 -8.076 -8.685 1.00 0.69 C ATOM 522 O LYS A 33 -5.043 -9.241 -8.862 1.00 0.83 O ATOM 523 CB LYS A 33 -2.554 -7.760 -7.611 1.00 0.85 C ATOM 524 CG LYS A 33 -1.029 -7.747 -7.729 1.00 1.31 C ATOM 525 CD LYS A 33 -0.320 -9.099 -7.830 1.00 1.71 C ATOM 526 CE LYS A 33 1.196 -8.892 -7.793 1.00 2.26 C ATOM 527 NZ LYS A 33 1.732 -8.530 -9.124 1.00 2.62 N ATOM 0 H LYS A 33 -2.926 -5.775 -8.895 1.00 0.62 H new ATOM 0 HA LYS A 33 -2.819 -8.528 -9.647 1.00 0.73 H new ATOM 0 HB2 LYS A 33 -2.878 -6.877 -7.060 1.00 0.85 H new ATOM 0 HB3 LYS A 33 -2.861 -8.630 -7.030 1.00 0.85 H new ATOM 0 HG2 LYS A 33 -0.764 -7.161 -8.609 1.00 1.31 H new ATOM 0 HG3 LYS A 33 -0.628 -7.220 -6.863 1.00 1.31 H new ATOM 0 HD2 LYS A 33 -0.629 -9.744 -7.008 1.00 1.71 H new ATOM 0 HD3 LYS A 33 -0.605 -9.602 -8.754 1.00 1.71 H new ATOM 0 HE2 LYS A 33 1.439 -8.107 -7.077 1.00 2.26 H new ATOM 0 HE3 LYS A 33 1.679 -9.804 -7.442 1.00 2.26 H new ATOM 0 HZ1 LYS A 33 2.762 -8.398 -9.059 1.00 2.62 H new ATOM 0 HZ2 LYS A 33 1.522 -9.291 -9.801 1.00 2.62 H new ATOM 0 HZ3 LYS A 33 1.289 -7.646 -9.448 1.00 2.62 H new ATOM 541 N GLU A 34 -5.503 -7.160 -8.128 1.00 0.63 N ATOM 542 CA GLU A 34 -6.778 -7.543 -7.607 1.00 0.67 C ATOM 543 C GLU A 34 -7.905 -6.746 -8.169 1.00 0.69 C ATOM 544 O GLU A 34 -9.050 -7.183 -8.059 1.00 0.95 O ATOM 545 CB GLU A 34 -6.630 -7.280 -6.099 1.00 0.73 C ATOM 546 CG GLU A 34 -5.706 -8.237 -5.342 1.00 0.83 C ATOM 547 CD GLU A 34 -6.263 -9.651 -5.253 1.00 0.95 C ATOM 548 OE1 GLU A 34 -7.158 -9.751 -4.371 1.00 1.48 O ATOM 549 OE2 GLU A 34 -5.815 -10.643 -5.887 1.00 1.37 O ATOM 0 H GLU A 34 -5.281 -6.168 -8.039 1.00 0.63 H new ATOM 0 HA GLU A 34 -7.024 -8.574 -7.860 1.00 0.67 H new ATOM 0 HB2 GLU A 34 -6.260 -6.264 -5.961 1.00 0.73 H new ATOM 0 HB3 GLU A 34 -7.619 -7.324 -5.643 1.00 0.73 H new ATOM 0 HG2 GLU A 34 -4.735 -8.265 -5.837 1.00 0.83 H new ATOM 0 HG3 GLU A 34 -5.540 -7.853 -4.335 1.00 0.83 H new ATOM 556 N GLY A 35 -7.679 -5.577 -8.793 1.00 0.63 N ATOM 557 CA GLY A 35 -8.659 -4.800 -9.487 1.00 0.68 C ATOM 558 C GLY A 35 -9.184 -3.652 -8.695 1.00 0.76 C ATOM 559 O GLY A 35 -10.325 -3.227 -8.872 1.00 1.12 O ATOM 0 H GLY A 35 -6.754 -5.148 -8.814 1.00 0.63 H new ATOM 0 HA2 GLY A 35 -8.222 -4.423 -10.412 1.00 0.68 H new ATOM 0 HA3 GLY A 35 -9.490 -5.447 -9.768 1.00 0.68 H new ATOM 563 N ILE A 36 -8.396 -3.094 -7.759 1.00 0.70 N ATOM 564 CA ILE A 36 -8.930 -2.109 -6.871 1.00 0.76 C ATOM 565 C ILE A 36 -8.543 -0.754 -7.356 1.00 0.71 C ATOM 566 O ILE A 36 -7.345 -0.497 -7.474 1.00 0.73 O ATOM 567 CB ILE A 36 -8.376 -2.340 -5.496 1.00 0.88 C ATOM 568 CG1 ILE A 36 -8.498 -3.787 -4.993 1.00 0.91 C ATOM 569 CG2 ILE A 36 -9.157 -1.476 -4.492 1.00 1.55 C ATOM 570 CD1 ILE A 36 -7.970 -4.081 -3.589 1.00 1.16 C ATOM 0 H ILE A 36 -7.411 -3.318 -7.618 1.00 0.70 H new ATOM 0 HA ILE A 36 -10.017 -2.181 -6.838 1.00 0.76 H new ATOM 0 HB ILE A 36 -7.317 -2.090 -5.567 1.00 0.88 H new ATOM 0 HG12 ILE A 36 -9.550 -4.069 -5.025 1.00 0.91 H new ATOM 0 HG13 ILE A 36 -7.973 -4.435 -5.695 1.00 0.91 H new ATOM 0 HG21 ILE A 36 -8.762 -1.637 -3.489 1.00 1.55 H new ATOM 0 HG22 ILE A 36 -9.053 -0.424 -4.759 1.00 1.55 H new ATOM 0 HG23 ILE A 36 -10.211 -1.754 -4.516 1.00 1.55 H new ATOM 0 HD11 ILE A 36 -8.117 -5.136 -3.359 1.00 1.16 H new ATOM 0 HD12 ILE A 36 -6.907 -3.844 -3.543 1.00 1.16 H new ATOM 0 HD13 ILE A 36 -8.509 -3.473 -2.863 1.00 1.16 H new ATOM 582 N PRO A 37 -9.411 0.159 -7.678 1.00 0.75 N ATOM 583 CA PRO A 37 -9.083 1.476 -8.141 1.00 0.79 C ATOM 584 C PRO A 37 -8.320 2.256 -7.128 1.00 0.75 C ATOM 585 O PRO A 37 -8.604 2.184 -5.933 1.00 0.75 O ATOM 586 CB PRO A 37 -10.431 2.151 -8.381 1.00 0.95 C ATOM 587 CG PRO A 37 -11.556 1.109 -8.497 1.00 1.02 C ATOM 588 CD PRO A 37 -10.851 -0.036 -7.752 1.00 0.85 C ATOM 0 HA PRO A 37 -8.454 1.426 -9.030 1.00 0.79 H new ATOM 0 HB2 PRO A 37 -10.649 2.837 -7.563 1.00 0.95 H new ATOM 0 HB3 PRO A 37 -10.386 2.746 -9.293 1.00 0.95 H new ATOM 0 HG2 PRO A 37 -12.482 1.425 -8.016 1.00 1.02 H new ATOM 0 HG3 PRO A 37 -11.802 0.859 -9.529 1.00 1.02 H new ATOM 0 HD2 PRO A 37 -11.257 -0.115 -6.744 1.00 0.85 H new ATOM 0 HD3 PRO A 37 -11.063 -0.979 -8.256 1.00 0.85 H new ATOM 596 N PRO A 38 -7.280 2.981 -7.415 1.00 0.81 N ATOM 597 CA PRO A 38 -6.467 3.710 -6.484 1.00 0.85 C ATOM 598 C PRO A 38 -7.132 4.704 -5.596 1.00 0.89 C ATOM 599 O PRO A 38 -6.540 5.156 -4.617 1.00 0.99 O ATOM 600 CB PRO A 38 -5.346 4.366 -7.286 1.00 1.01 C ATOM 601 CG PRO A 38 -5.091 3.281 -8.344 1.00 1.25 C ATOM 602 CD PRO A 38 -6.523 2.814 -8.648 1.00 0.98 C ATOM 0 HA PRO A 38 -6.118 2.973 -5.761 1.00 0.85 H new ATOM 0 HB2 PRO A 38 -5.652 5.314 -7.729 1.00 1.01 H new ATOM 0 HB3 PRO A 38 -4.464 4.568 -6.678 1.00 1.01 H new ATOM 0 HG2 PRO A 38 -4.592 3.678 -9.228 1.00 1.25 H new ATOM 0 HG3 PRO A 38 -4.467 2.473 -7.962 1.00 1.25 H new ATOM 0 HD2 PRO A 38 -6.960 3.402 -9.455 1.00 0.98 H new ATOM 0 HD3 PRO A 38 -6.532 1.773 -8.971 1.00 0.98 H new ATOM 610 N ASP A 39 -8.377 5.087 -5.932 1.00 0.96 N ATOM 611 CA ASP A 39 -9.168 5.933 -5.091 1.00 1.11 C ATOM 612 C ASP A 39 -9.722 5.184 -3.928 1.00 1.00 C ATOM 613 O ASP A 39 -10.015 5.748 -2.876 1.00 1.14 O ATOM 614 CB ASP A 39 -10.348 6.579 -5.836 1.00 1.39 C ATOM 615 CG ASP A 39 -10.109 7.809 -6.701 1.00 1.73 C ATOM 616 OD1 ASP A 39 -9.580 8.889 -6.324 1.00 2.23 O ATOM 617 OD2 ASP A 39 -10.546 7.638 -7.870 1.00 2.25 O ATOM 0 H ASP A 39 -8.841 4.807 -6.796 1.00 0.96 H new ATOM 0 HA ASP A 39 -8.488 6.714 -4.753 1.00 1.11 H new ATOM 0 HB2 ASP A 39 -10.790 5.813 -6.473 1.00 1.39 H new ATOM 0 HB3 ASP A 39 -11.098 6.845 -5.091 1.00 1.39 H new ATOM 622 N GLN A 40 -9.914 3.858 -4.053 1.00 0.87 N ATOM 623 CA GLN A 40 -10.480 3.033 -3.031 1.00 0.84 C ATOM 624 C GLN A 40 -9.377 2.631 -2.113 1.00 0.67 C ATOM 625 O GLN A 40 -9.525 2.376 -0.920 1.00 0.80 O ATOM 626 CB GLN A 40 -11.101 1.741 -3.587 1.00 0.95 C ATOM 627 CG GLN A 40 -12.388 1.991 -4.376 1.00 1.32 C ATOM 628 CD GLN A 40 -13.043 0.696 -4.836 1.00 1.48 C ATOM 629 OE1 GLN A 40 -12.547 -0.418 -4.681 1.00 1.70 O ATOM 630 NE2 GLN A 40 -14.285 0.916 -5.344 1.00 2.02 N ATOM 0 H GLN A 40 -9.666 3.342 -4.897 1.00 0.87 H new ATOM 0 HA GLN A 40 -11.265 3.605 -2.537 1.00 0.84 H new ATOM 0 HB2 GLN A 40 -10.376 1.244 -4.232 1.00 0.95 H new ATOM 0 HB3 GLN A 40 -11.313 1.061 -2.762 1.00 0.95 H new ATOM 0 HG2 GLN A 40 -13.089 2.550 -3.756 1.00 1.32 H new ATOM 0 HG3 GLN A 40 -12.165 2.611 -5.244 1.00 1.32 H new ATOM 0 HE21 GLN A 40 -14.633 1.869 -5.445 1.00 2.02 H new ATOM 0 HE22 GLN A 40 -14.868 0.128 -5.624 1.00 2.02 H new ATOM 639 N GLN A 41 -8.125 2.502 -2.588 1.00 0.56 N ATOM 640 CA GLN A 41 -7.001 2.061 -1.822 1.00 0.51 C ATOM 641 C GLN A 41 -6.514 3.112 -0.886 1.00 0.49 C ATOM 642 O GLN A 41 -6.169 4.211 -1.319 1.00 0.65 O ATOM 643 CB GLN A 41 -5.851 1.728 -2.786 1.00 0.67 C ATOM 644 CG GLN A 41 -6.335 0.560 -3.647 1.00 0.69 C ATOM 645 CD GLN A 41 -5.103 0.092 -4.408 1.00 0.56 C ATOM 646 OE1 GLN A 41 -3.988 -0.106 -3.930 1.00 0.66 O ATOM 647 NE2 GLN A 41 -5.290 0.090 -5.755 1.00 0.61 N ATOM 0 H GLN A 41 -7.885 2.716 -3.556 1.00 0.56 H new ATOM 0 HA GLN A 41 -7.315 1.194 -1.241 1.00 0.51 H new ATOM 0 HB2 GLN A 41 -5.601 2.590 -3.405 1.00 0.67 H new ATOM 0 HB3 GLN A 41 -4.949 1.458 -2.236 1.00 0.67 H new ATOM 0 HG2 GLN A 41 -6.746 -0.240 -3.031 1.00 0.69 H new ATOM 0 HG3 GLN A 41 -7.125 0.874 -4.330 1.00 0.69 H new ATOM 0 HE21 GLN A 41 -6.220 0.255 -6.141 1.00 0.61 H new ATOM 0 HE22 GLN A 41 -4.501 -0.077 -6.379 1.00 0.61 H new ATOM 656 N ARG A 42 -6.539 2.881 0.439 1.00 0.47 N ATOM 657 CA ARG A 42 -5.916 3.744 1.395 1.00 0.55 C ATOM 658 C ARG A 42 -4.939 2.893 2.129 1.00 0.46 C ATOM 659 O ARG A 42 -5.308 1.949 2.828 1.00 0.52 O ATOM 660 CB ARG A 42 -6.965 4.367 2.331 1.00 0.73 C ATOM 661 CG ARG A 42 -6.303 5.439 3.197 1.00 1.04 C ATOM 662 CD ARG A 42 -6.948 5.601 4.575 1.00 1.28 C ATOM 663 NE ARG A 42 -8.381 5.950 4.360 1.00 1.69 N ATOM 664 CZ ARG A 42 -8.793 7.243 4.505 1.00 2.19 C ATOM 665 NH1 ARG A 42 -7.962 8.324 4.433 1.00 2.34 N ATOM 666 NH2 ARG A 42 -10.121 7.476 4.718 1.00 2.78 N ATOM 0 H ARG A 42 -7.004 2.075 0.856 1.00 0.47 H new ATOM 0 HA ARG A 42 -5.411 4.586 0.921 1.00 0.55 H new ATOM 0 HB2 ARG A 42 -7.775 4.805 1.747 1.00 0.73 H new ATOM 0 HB3 ARG A 42 -7.408 3.597 2.962 1.00 0.73 H new ATOM 0 HG2 ARG A 42 -5.250 5.190 3.326 1.00 1.04 H new ATOM 0 HG3 ARG A 42 -6.343 6.394 2.672 1.00 1.04 H new ATOM 0 HD2 ARG A 42 -6.860 4.679 5.150 1.00 1.28 H new ATOM 0 HD3 ARG A 42 -6.444 6.382 5.145 1.00 1.28 H new ATOM 0 HE ARG A 42 -9.052 5.225 4.105 1.00 1.69 H new ATOM 0 HH11 ARG A 42 -6.965 8.191 4.261 1.00 2.34 H new ATOM 0 HH12 ARG A 42 -8.338 9.265 4.551 1.00 2.34 H new ATOM 0 HH21 ARG A 42 -10.775 6.694 4.765 1.00 2.78 H new ATOM 0 HH22 ARG A 42 -10.460 8.432 4.830 1.00 2.78 H new ATOM 680 N LEU A 43 -3.648 3.240 1.984 1.00 0.46 N ATOM 681 CA LEU A 43 -2.628 2.485 2.643 1.00 0.42 C ATOM 682 C LEU A 43 -2.233 3.217 3.879 1.00 0.43 C ATOM 683 O LEU A 43 -2.061 4.436 3.866 1.00 0.55 O ATOM 684 CB LEU A 43 -1.330 2.318 1.836 1.00 0.55 C ATOM 685 CG LEU A 43 -1.571 1.660 0.467 1.00 0.65 C ATOM 686 CD1 LEU A 43 -0.394 1.894 -0.495 1.00 1.17 C ATOM 687 CD2 LEU A 43 -1.816 0.144 0.560 1.00 1.12 C ATOM 0 H LEU A 43 -3.315 4.025 1.424 1.00 0.46 H new ATOM 0 HA LEU A 43 -3.057 1.498 2.812 1.00 0.42 H new ATOM 0 HB2 LEU A 43 -0.868 3.294 1.690 1.00 0.55 H new ATOM 0 HB3 LEU A 43 -0.625 1.714 2.407 1.00 0.55 H new ATOM 0 HG LEU A 43 -2.472 2.139 0.083 1.00 0.65 H new ATOM 0 HD11 LEU A 43 -0.604 1.413 -1.450 1.00 1.17 H new ATOM 0 HD12 LEU A 43 -0.258 2.964 -0.650 1.00 1.17 H new ATOM 0 HD13 LEU A 43 0.515 1.471 -0.068 1.00 1.17 H new ATOM 0 HD21 LEU A 43 -1.979 -0.260 -0.439 1.00 1.12 H new ATOM 0 HD22 LEU A 43 -0.948 -0.338 1.009 1.00 1.12 H new ATOM 0 HD23 LEU A 43 -2.695 -0.045 1.176 1.00 1.12 H new ATOM 699 N ILE A 44 -2.209 2.468 4.994 1.00 0.42 N ATOM 700 CA ILE A 44 -1.769 2.877 6.292 1.00 0.46 C ATOM 701 C ILE A 44 -0.538 2.154 6.720 1.00 0.42 C ATOM 702 O ILE A 44 -0.535 0.925 6.769 1.00 0.53 O ATOM 703 CB ILE A 44 -2.862 2.881 7.319 1.00 0.58 C ATOM 704 CG1 ILE A 44 -4.221 3.227 6.686 1.00 1.05 C ATOM 705 CG2 ILE A 44 -2.488 3.791 8.501 1.00 1.38 C ATOM 706 CD1 ILE A 44 -5.278 3.480 7.761 1.00 1.27 C ATOM 0 H ILE A 44 -2.523 1.498 4.987 1.00 0.42 H new ATOM 0 HA ILE A 44 -1.482 3.925 6.204 1.00 0.46 H new ATOM 0 HB ILE A 44 -2.972 1.875 7.724 1.00 0.58 H new ATOM 0 HG12 ILE A 44 -4.118 4.111 6.057 1.00 1.05 H new ATOM 0 HG13 ILE A 44 -4.543 2.411 6.039 1.00 1.05 H new ATOM 0 HG21 ILE A 44 -3.293 3.782 9.236 1.00 1.38 H new ATOM 0 HG22 ILE A 44 -1.570 3.428 8.963 1.00 1.38 H new ATOM 0 HG23 ILE A 44 -2.336 4.809 8.143 1.00 1.38 H new ATOM 0 HD11 ILE A 44 -6.229 3.722 7.286 1.00 1.27 H new ATOM 0 HD12 ILE A 44 -5.396 2.586 8.373 1.00 1.27 H new ATOM 0 HD13 ILE A 44 -4.964 4.312 8.391 1.00 1.27 H new ATOM 718 N PHE A 45 0.587 2.842 6.987 1.00 0.42 N ATOM 719 CA PHE A 45 1.759 2.212 7.507 1.00 0.46 C ATOM 720 C PHE A 45 1.891 2.822 8.860 1.00 0.68 C ATOM 721 O PHE A 45 1.851 4.033 9.072 1.00 1.50 O ATOM 722 CB PHE A 45 2.971 2.602 6.645 1.00 0.56 C ATOM 723 CG PHE A 45 4.264 2.053 7.139 1.00 0.64 C ATOM 724 CD1 PHE A 45 4.436 0.690 7.212 1.00 1.08 C ATOM 725 CD2 PHE A 45 5.247 2.915 7.565 1.00 1.19 C ATOM 726 CE1 PHE A 45 5.667 0.179 7.549 1.00 1.20 C ATOM 727 CE2 PHE A 45 6.415 2.367 8.040 1.00 1.33 C ATOM 728 CZ PHE A 45 6.656 1.013 8.014 1.00 1.02 C ATOM 0 H PHE A 45 0.684 3.847 6.840 1.00 0.42 H new ATOM 0 HA PHE A 45 1.703 1.124 7.523 1.00 0.46 H new ATOM 0 HB2 PHE A 45 2.806 2.255 5.625 1.00 0.56 H new ATOM 0 HB3 PHE A 45 3.041 3.689 6.604 1.00 0.56 H new ATOM 0 HD1 PHE A 45 3.610 0.026 7.006 1.00 1.08 H new ATOM 0 HD2 PHE A 45 5.106 3.985 7.528 1.00 1.19 H new ATOM 0 HE1 PHE A 45 5.857 -0.879 7.448 1.00 1.20 H new ATOM 0 HE2 PHE A 45 7.170 3.023 8.448 1.00 1.33 H new ATOM 0 HZ PHE A 45 7.601 0.614 8.351 1.00 1.02 H new ATOM 738 N ALA A 46 2.105 2.027 9.925 1.00 0.81 N ATOM 739 CA ALA A 46 2.325 2.315 11.309 1.00 0.96 C ATOM 740 C ALA A 46 1.234 3.186 11.830 1.00 0.97 C ATOM 741 O ALA A 46 0.175 2.661 12.165 1.00 1.21 O ATOM 742 CB ALA A 46 3.728 2.855 11.633 1.00 1.20 C ATOM 0 H ALA A 46 2.125 1.017 9.782 1.00 0.81 H new ATOM 0 HA ALA A 46 2.291 1.362 11.837 1.00 0.96 H new ATOM 0 HB1 ALA A 46 3.806 3.046 12.703 1.00 1.20 H new ATOM 0 HB2 ALA A 46 4.477 2.120 11.340 1.00 1.20 H new ATOM 0 HB3 ALA A 46 3.896 3.783 11.086 1.00 1.20 H new ATOM 748 N GLY A 47 1.388 4.523 11.855 1.00 0.99 N ATOM 749 CA GLY A 47 0.449 5.530 12.241 1.00 1.10 C ATOM 750 C GLY A 47 0.243 6.568 11.193 1.00 1.03 C ATOM 751 O GLY A 47 -0.516 7.523 11.353 1.00 1.30 O ATOM 0 H GLY A 47 2.274 4.942 11.571 1.00 0.99 H new ATOM 0 HA2 GLY A 47 -0.507 5.059 12.470 1.00 1.10 H new ATOM 0 HA3 GLY A 47 0.795 6.010 13.156 1.00 1.10 H new ATOM 755 N LYS A 48 0.790 6.367 9.981 1.00 0.98 N ATOM 756 CA LYS A 48 0.769 7.206 8.823 1.00 1.05 C ATOM 757 C LYS A 48 -0.156 6.669 7.786 1.00 0.84 C ATOM 758 O LYS A 48 -0.125 5.477 7.484 1.00 0.81 O ATOM 759 CB LYS A 48 2.202 7.415 8.305 1.00 1.42 C ATOM 760 CG LYS A 48 3.062 8.163 9.326 1.00 1.61 C ATOM 761 CD LYS A 48 4.563 8.352 9.099 1.00 1.87 C ATOM 762 CE LYS A 48 5.352 7.058 8.886 1.00 2.22 C ATOM 763 NZ LYS A 48 6.796 7.331 8.702 1.00 2.55 N ATOM 0 H LYS A 48 1.310 5.510 9.794 1.00 0.98 H new ATOM 0 HA LYS A 48 0.376 8.186 9.093 1.00 1.05 H new ATOM 0 HB2 LYS A 48 2.655 6.449 8.084 1.00 1.42 H new ATOM 0 HB3 LYS A 48 2.174 7.975 7.370 1.00 1.42 H new ATOM 0 HG2 LYS A 48 2.629 9.156 9.443 1.00 1.61 H new ATOM 0 HG3 LYS A 48 2.945 7.650 10.280 1.00 1.61 H new ATOM 0 HD2 LYS A 48 4.706 8.994 8.230 1.00 1.87 H new ATOM 0 HD3 LYS A 48 4.982 8.878 9.957 1.00 1.87 H new ATOM 0 HE2 LYS A 48 5.211 6.399 9.742 1.00 2.22 H new ATOM 0 HE3 LYS A 48 4.965 6.533 8.012 1.00 2.22 H new ATOM 0 HZ1 LYS A 48 7.157 6.769 7.905 1.00 2.55 H new ATOM 0 HZ2 LYS A 48 6.936 8.342 8.504 1.00 2.55 H new ATOM 0 HZ3 LYS A 48 7.311 7.073 9.568 1.00 2.55 H new ATOM 777 N GLN A 49 -0.929 7.575 7.160 1.00 0.84 N ATOM 778 CA GLN A 49 -1.723 7.298 6.004 1.00 0.80 C ATOM 779 C GLN A 49 -1.003 7.875 4.835 1.00 0.72 C ATOM 780 O GLN A 49 -0.560 9.021 4.762 1.00 0.83 O ATOM 781 CB GLN A 49 -3.166 7.812 6.148 1.00 1.03 C ATOM 782 CG GLN A 49 -3.979 6.947 7.115 1.00 1.67 C ATOM 783 CD GLN A 49 -5.384 7.374 7.510 1.00 1.92 C ATOM 784 OE1 GLN A 49 -6.238 6.568 7.876 1.00 2.24 O ATOM 785 NE2 GLN A 49 -5.598 8.714 7.416 1.00 2.48 N ATOM 0 H GLN A 49 -1.003 8.543 7.474 1.00 0.84 H new ATOM 0 HA GLN A 49 -1.842 6.223 5.866 1.00 0.80 H new ATOM 0 HB2 GLN A 49 -3.152 8.842 6.504 1.00 1.03 H new ATOM 0 HB3 GLN A 49 -3.649 7.819 5.171 1.00 1.03 H new ATOM 0 HG2 GLN A 49 -4.052 5.951 6.678 1.00 1.67 H new ATOM 0 HG3 GLN A 49 -3.398 6.850 8.032 1.00 1.67 H new ATOM 0 HE21 GLN A 49 -4.847 9.330 7.105 1.00 2.48 H new ATOM 0 HE22 GLN A 49 -6.510 9.103 7.656 1.00 2.48 H new ATOM 794 N LEU A 50 -0.544 6.977 3.945 1.00 0.69 N ATOM 795 CA LEU A 50 0.330 7.237 2.844 1.00 0.66 C ATOM 796 C LEU A 50 -0.288 8.069 1.773 1.00 0.72 C ATOM 797 O LEU A 50 -1.331 7.717 1.225 1.00 0.90 O ATOM 798 CB LEU A 50 0.904 5.918 2.302 1.00 0.65 C ATOM 799 CG LEU A 50 1.335 4.918 3.389 1.00 0.64 C ATOM 800 CD1 LEU A 50 1.926 3.667 2.719 1.00 0.77 C ATOM 801 CD2 LEU A 50 2.298 5.458 4.461 1.00 0.74 C ATOM 0 H LEU A 50 -0.806 5.993 4.001 1.00 0.69 H new ATOM 0 HA LEU A 50 1.152 7.844 3.223 1.00 0.66 H new ATOM 0 HB2 LEU A 50 0.156 5.445 1.666 1.00 0.65 H new ATOM 0 HB3 LEU A 50 1.764 6.142 1.670 1.00 0.65 H new ATOM 0 HG LEU A 50 0.426 4.685 3.944 1.00 0.64 H new ATOM 0 HD11 LEU A 50 2.233 2.955 3.485 1.00 0.77 H new ATOM 0 HD12 LEU A 50 1.174 3.208 2.078 1.00 0.77 H new ATOM 0 HD13 LEU A 50 2.791 3.950 2.119 1.00 0.77 H new ATOM 0 HD21 LEU A 50 2.532 4.666 5.172 1.00 0.74 H new ATOM 0 HD22 LEU A 50 3.217 5.801 3.985 1.00 0.74 H new ATOM 0 HD23 LEU A 50 1.829 6.290 4.986 1.00 0.74 H new ATOM 813 N GLU A 51 0.365 9.182 1.393 1.00 0.70 N ATOM 814 CA GLU A 51 -0.048 10.011 0.304 1.00 0.76 C ATOM 815 C GLU A 51 0.551 9.652 -1.012 1.00 0.77 C ATOM 816 O GLU A 51 1.706 9.242 -1.115 1.00 1.23 O ATOM 817 CB GLU A 51 0.067 11.510 0.633 1.00 0.88 C ATOM 818 CG GLU A 51 -0.641 11.889 1.934 1.00 1.35 C ATOM 819 CD GLU A 51 -0.526 13.359 2.313 1.00 1.46 C ATOM 820 OE1 GLU A 51 -0.485 14.312 1.490 1.00 1.94 O ATOM 821 OE2 GLU A 51 -0.504 13.592 3.551 1.00 1.89 O ATOM 0 H GLU A 51 1.208 9.516 1.859 1.00 0.70 H new ATOM 0 HA GLU A 51 -1.109 9.799 0.176 1.00 0.76 H new ATOM 0 HB2 GLU A 51 1.120 11.781 0.706 1.00 0.88 H new ATOM 0 HB3 GLU A 51 -0.355 12.090 -0.187 1.00 0.88 H new ATOM 0 HG2 GLU A 51 -1.696 11.631 1.846 1.00 1.35 H new ATOM 0 HG3 GLU A 51 -0.232 11.285 2.744 1.00 1.35 H new ATOM 828 N ASP A 52 -0.271 9.598 -2.076 1.00 0.66 N ATOM 829 CA ASP A 52 0.043 9.123 -3.388 1.00 0.65 C ATOM 830 C ASP A 52 1.295 9.571 -4.060 1.00 0.60 C ATOM 831 O ASP A 52 2.139 8.802 -4.517 1.00 0.62 O ATOM 832 CB ASP A 52 -1.117 9.291 -4.384 1.00 0.81 C ATOM 833 CG ASP A 52 -2.467 8.744 -3.943 1.00 0.95 C ATOM 834 OD1 ASP A 52 -3.145 9.488 -3.185 1.00 1.44 O ATOM 835 OD2 ASP A 52 -2.785 7.569 -4.266 1.00 1.56 O ATOM 0 H ASP A 52 -1.238 9.915 -2.010 1.00 0.66 H new ATOM 0 HA ASP A 52 0.230 8.080 -3.133 1.00 0.65 H new ATOM 0 HB2 ASP A 52 -1.232 10.353 -4.600 1.00 0.81 H new ATOM 0 HB3 ASP A 52 -0.839 8.804 -5.319 1.00 0.81 H new ATOM 840 N GLY A 53 1.546 10.890 -4.149 1.00 0.68 N ATOM 841 CA GLY A 53 2.797 11.320 -4.693 1.00 0.73 C ATOM 842 C GLY A 53 3.792 11.608 -3.623 1.00 0.72 C ATOM 843 O GLY A 53 4.123 12.790 -3.554 1.00 0.97 O ATOM 0 H GLY A 53 0.911 11.633 -3.857 1.00 0.68 H new ATOM 0 HA2 GLY A 53 3.189 10.550 -5.357 1.00 0.73 H new ATOM 0 HA3 GLY A 53 2.643 12.214 -5.297 1.00 0.73 H new ATOM 847 N ARG A 54 4.270 10.574 -2.907 1.00 0.64 N ATOM 848 CA ARG A 54 5.399 10.679 -2.036 1.00 0.63 C ATOM 849 C ARG A 54 6.124 9.402 -2.291 1.00 0.59 C ATOM 850 O ARG A 54 5.524 8.489 -2.856 1.00 0.62 O ATOM 851 CB ARG A 54 4.846 10.641 -0.602 1.00 0.69 C ATOM 852 CG ARG A 54 3.778 11.672 -0.229 1.00 0.82 C ATOM 853 CD ARG A 54 4.263 13.118 -0.339 1.00 1.18 C ATOM 854 NE ARG A 54 3.122 14.014 -0.002 1.00 1.50 N ATOM 855 CZ ARG A 54 2.242 14.496 -0.929 1.00 2.00 C ATOM 856 NH1 ARG A 54 2.372 14.305 -2.274 1.00 2.48 N ATOM 857 NH2 ARG A 54 1.091 15.129 -0.561 1.00 2.49 N ATOM 0 H ARG A 54 3.860 9.640 -2.935 1.00 0.64 H new ATOM 0 HA ARG A 54 6.015 11.567 -2.178 1.00 0.63 H new ATOM 0 HB2 ARG A 54 4.431 9.648 -0.428 1.00 0.69 H new ATOM 0 HB3 ARG A 54 5.684 10.761 0.085 1.00 0.69 H new ATOM 0 HG2 ARG A 54 2.912 11.537 -0.877 1.00 0.82 H new ATOM 0 HG3 ARG A 54 3.445 11.485 0.792 1.00 0.82 H new ATOM 0 HD2 ARG A 54 5.098 13.292 0.340 1.00 1.18 H new ATOM 0 HD3 ARG A 54 4.624 13.323 -1.347 1.00 1.18 H new ATOM 0 HE ARG A 54 2.991 14.282 0.973 1.00 1.50 H new ATOM 0 HH11 ARG A 54 3.163 13.775 -2.640 1.00 2.48 H new ATOM 0 HH12 ARG A 54 1.678 14.692 -2.914 1.00 2.48 H new ATOM 0 HH21 ARG A 54 0.870 15.252 0.427 1.00 2.49 H new ATOM 0 HH22 ARG A 54 0.451 15.479 -1.274 1.00 2.49 H new ATOM 871 N THR A 55 7.398 9.292 -1.873 1.00 0.63 N ATOM 872 CA THR A 55 7.994 8.001 -2.023 1.00 0.61 C ATOM 873 C THR A 55 7.807 7.254 -0.747 1.00 0.59 C ATOM 874 O THR A 55 7.379 7.736 0.300 1.00 0.64 O ATOM 875 CB THR A 55 9.441 7.936 -2.413 1.00 0.68 C ATOM 876 OG1 THR A 55 10.239 8.479 -1.371 1.00 0.75 O ATOM 877 CG2 THR A 55 9.617 8.864 -3.627 1.00 0.76 C ATOM 0 H THR A 55 7.975 10.027 -1.465 1.00 0.63 H new ATOM 0 HA THR A 55 7.479 7.564 -2.878 1.00 0.61 H new ATOM 0 HB THR A 55 9.730 6.905 -2.618 1.00 0.68 H new ATOM 0 HG1 THR A 55 9.932 9.386 -1.163 1.00 0.75 H new ATOM 0 HG21 THR A 55 10.659 8.850 -3.948 1.00 0.76 H new ATOM 0 HG22 THR A 55 8.981 8.520 -4.443 1.00 0.76 H new ATOM 0 HG23 THR A 55 9.336 9.881 -3.352 1.00 0.76 H new ATOM 885 N LEU A 56 8.062 5.938 -0.857 1.00 0.58 N ATOM 886 CA LEU A 56 8.155 4.960 0.183 1.00 0.59 C ATOM 887 C LEU A 56 9.246 5.351 1.119 1.00 0.64 C ATOM 888 O LEU A 56 9.092 5.202 2.331 1.00 0.70 O ATOM 889 CB LEU A 56 8.446 3.526 -0.290 1.00 0.60 C ATOM 890 CG LEU A 56 7.311 2.875 -1.098 1.00 0.63 C ATOM 891 CD1 LEU A 56 7.803 1.892 -2.173 1.00 1.05 C ATOM 892 CD2 LEU A 56 6.347 2.067 -0.213 1.00 1.03 C ATOM 0 H LEU A 56 8.219 5.517 -1.773 1.00 0.58 H new ATOM 0 HA LEU A 56 7.170 4.944 0.650 1.00 0.59 H new ATOM 0 HB2 LEU A 56 9.349 3.535 -0.900 1.00 0.60 H new ATOM 0 HB3 LEU A 56 8.656 2.906 0.581 1.00 0.60 H new ATOM 0 HG LEU A 56 6.815 3.728 -1.560 1.00 0.63 H new ATOM 0 HD11 LEU A 56 6.947 1.473 -2.702 1.00 1.05 H new ATOM 0 HD12 LEU A 56 8.444 2.418 -2.880 1.00 1.05 H new ATOM 0 HD13 LEU A 56 8.367 1.088 -1.700 1.00 1.05 H new ATOM 0 HD21 LEU A 56 5.565 1.629 -0.833 1.00 1.03 H new ATOM 0 HD22 LEU A 56 6.896 1.273 0.293 1.00 1.03 H new ATOM 0 HD23 LEU A 56 5.895 2.726 0.529 1.00 1.03 H new ATOM 904 N SER A 57 10.389 5.856 0.624 1.00 0.68 N ATOM 905 CA SER A 57 11.508 6.354 1.363 1.00 0.75 C ATOM 906 C SER A 57 11.147 7.420 2.340 1.00 0.76 C ATOM 907 O SER A 57 11.554 7.336 3.497 1.00 0.84 O ATOM 908 CB SER A 57 12.620 6.910 0.456 1.00 0.84 C ATOM 909 OG SER A 57 13.826 7.194 1.148 1.00 1.19 O ATOM 0 H SER A 57 10.542 5.921 -0.382 1.00 0.68 H new ATOM 0 HA SER A 57 11.870 5.480 1.904 1.00 0.75 H new ATOM 0 HB2 SER A 57 12.826 6.190 -0.336 1.00 0.84 H new ATOM 0 HB3 SER A 57 12.264 7.821 -0.026 1.00 0.84 H new ATOM 0 HG SER A 57 14.491 7.542 0.517 1.00 1.19 H new ATOM 915 N ASP A 58 10.379 8.430 1.895 1.00 0.75 N ATOM 916 CA ASP A 58 9.759 9.457 2.674 1.00 0.78 C ATOM 917 C ASP A 58 8.946 9.061 3.859 1.00 0.77 C ATOM 918 O ASP A 58 8.853 9.792 4.843 1.00 0.86 O ATOM 919 CB ASP A 58 8.877 10.333 1.770 1.00 0.83 C ATOM 920 CG ASP A 58 9.696 11.025 0.691 1.00 1.23 C ATOM 921 OD1 ASP A 58 10.676 11.697 1.110 1.00 1.86 O ATOM 922 OD2 ASP A 58 9.350 10.951 -0.519 1.00 1.90 O ATOM 0 H ASP A 58 10.175 8.536 0.901 1.00 0.75 H new ATOM 0 HA ASP A 58 10.619 9.976 3.098 1.00 0.78 H new ATOM 0 HB2 ASP A 58 8.107 9.717 1.305 1.00 0.83 H new ATOM 0 HB3 ASP A 58 8.365 11.081 2.375 1.00 0.83 H new ATOM 927 N TYR A 59 8.272 7.903 3.741 1.00 0.72 N ATOM 928 CA TYR A 59 7.462 7.314 4.762 1.00 0.73 C ATOM 929 C TYR A 59 8.280 6.396 5.604 1.00 0.76 C ATOM 930 O TYR A 59 7.713 5.816 6.530 1.00 0.89 O ATOM 931 CB TYR A 59 6.151 6.730 4.211 1.00 0.73 C ATOM 932 CG TYR A 59 5.187 7.838 3.954 1.00 0.67 C ATOM 933 CD1 TYR A 59 4.571 8.517 4.978 1.00 0.74 C ATOM 934 CD2 TYR A 59 4.780 8.173 2.685 1.00 0.67 C ATOM 935 CE1 TYR A 59 3.600 9.473 4.794 1.00 0.77 C ATOM 936 CE2 TYR A 59 3.888 9.194 2.455 1.00 0.70 C ATOM 937 CZ TYR A 59 3.302 9.855 3.508 1.00 0.74 C ATOM 938 OH TYR A 59 2.364 10.865 3.206 1.00 0.86 O ATOM 0 H TYR A 59 8.294 7.347 2.886 1.00 0.72 H new ATOM 0 HA TYR A 59 7.112 8.093 5.439 1.00 0.73 H new ATOM 0 HB2 TYR A 59 6.344 6.179 3.290 1.00 0.73 H new ATOM 0 HB3 TYR A 59 5.727 6.022 4.923 1.00 0.73 H new ATOM 0 HD1 TYR A 59 4.868 8.285 5.990 1.00 0.74 H new ATOM 0 HD2 TYR A 59 5.172 7.619 1.845 1.00 0.67 H new ATOM 0 HE1 TYR A 59 3.086 9.911 5.637 1.00 0.77 H new ATOM 0 HE2 TYR A 59 3.647 9.478 1.441 1.00 0.70 H new ATOM 0 HH TYR A 59 2.832 11.653 2.859 1.00 0.86 H new ATOM 948 N ASN A 60 9.595 6.229 5.376 1.00 0.74 N ATOM 949 CA ASN A 60 10.491 5.312 6.010 1.00 0.79 C ATOM 950 C ASN A 60 10.044 3.891 6.015 1.00 0.75 C ATOM 951 O ASN A 60 10.135 3.170 7.008 1.00 0.86 O ATOM 952 CB ASN A 60 10.946 5.889 7.361 1.00 0.95 C ATOM 953 CG ASN A 60 11.247 7.379 7.290 1.00 1.25 C ATOM 954 OD1 ASN A 60 10.272 8.047 7.630 1.00 1.84 O ATOM 955 ND2 ASN A 60 12.479 7.864 6.975 1.00 1.83 N ATOM 0 H ASN A 60 10.077 6.794 4.677 1.00 0.74 H new ATOM 0 HA ASN A 60 11.383 5.224 5.390 1.00 0.79 H new ATOM 0 HB2 ASN A 60 10.170 5.714 8.106 1.00 0.95 H new ATOM 0 HB3 ASN A 60 11.837 5.358 7.697 1.00 0.95 H new ATOM 0 HD21 ASN A 60 12.656 8.868 7.010 1.00 1.83 H new ATOM 0 HD22 ASN A 60 13.225 7.224 6.704 1.00 1.83 H new ATOM 962 N ILE A 61 9.521 3.410 4.873 1.00 0.67 N ATOM 963 CA ILE A 61 9.096 2.055 4.711 1.00 0.65 C ATOM 964 C ILE A 61 10.161 1.158 4.181 1.00 0.66 C ATOM 965 O ILE A 61 10.681 1.199 3.067 1.00 0.75 O ATOM 966 CB ILE A 61 7.868 2.049 3.850 1.00 0.63 C ATOM 967 CG1 ILE A 61 6.624 2.812 4.338 1.00 0.70 C ATOM 968 CG2 ILE A 61 7.411 0.621 3.504 1.00 0.72 C ATOM 969 CD1 ILE A 61 5.724 3.284 3.197 1.00 0.82 C ATOM 0 H ILE A 61 9.390 3.981 4.038 1.00 0.67 H new ATOM 0 HA ILE A 61 8.863 1.644 5.693 1.00 0.65 H new ATOM 0 HB ILE A 61 8.239 2.603 2.988 1.00 0.63 H new ATOM 0 HG12 ILE A 61 6.049 2.169 5.004 1.00 0.70 H new ATOM 0 HG13 ILE A 61 6.941 3.675 4.923 1.00 0.70 H new ATOM 0 HG21 ILE A 61 6.519 0.666 2.879 1.00 0.72 H new ATOM 0 HG22 ILE A 61 8.206 0.105 2.965 1.00 0.72 H new ATOM 0 HG23 ILE A 61 7.184 0.079 4.422 1.00 0.72 H new ATOM 0 HD11 ILE A 61 4.865 3.815 3.607 1.00 0.82 H new ATOM 0 HD12 ILE A 61 6.285 3.952 2.543 1.00 0.82 H new ATOM 0 HD13 ILE A 61 5.379 2.422 2.625 1.00 0.82 H new ATOM 981 N GLN A 62 10.558 0.196 5.033 1.00 0.67 N ATOM 982 CA GLN A 62 11.631 -0.681 4.677 1.00 0.70 C ATOM 983 C GLN A 62 11.206 -1.979 4.081 1.00 0.62 C ATOM 984 O GLN A 62 10.014 -2.259 3.968 1.00 0.64 O ATOM 985 CB GLN A 62 12.592 -0.895 5.858 1.00 0.85 C ATOM 986 CG GLN A 62 13.107 0.397 6.497 1.00 1.27 C ATOM 987 CD GLN A 62 13.948 1.293 5.599 1.00 1.57 C ATOM 988 OE1 GLN A 62 13.526 2.374 5.190 1.00 2.08 O ATOM 989 NE2 GLN A 62 15.261 0.973 5.443 1.00 2.16 N ATOM 0 H GLN A 62 10.146 0.026 5.951 1.00 0.67 H new ATOM 0 HA GLN A 62 12.163 -0.166 3.877 1.00 0.70 H new ATOM 0 HB2 GLN A 62 12.085 -1.486 6.621 1.00 0.85 H new ATOM 0 HB3 GLN A 62 13.445 -1.481 5.515 1.00 0.85 H new ATOM 0 HG2 GLN A 62 12.251 0.971 6.851 1.00 1.27 H new ATOM 0 HG3 GLN A 62 13.699 0.135 7.374 1.00 1.27 H new ATOM 0 HE21 GLN A 62 15.611 0.077 5.782 1.00 2.16 H new ATOM 0 HE22 GLN A 62 15.895 1.629 4.987 1.00 2.16 H new ATOM 998 N LYS A 63 12.057 -2.961 3.734 1.00 0.64 N ATOM 999 CA LYS A 63 11.712 -4.295 3.353 1.00 0.62 C ATOM 1000 C LYS A 63 11.025 -5.129 4.380 1.00 0.59 C ATOM 1001 O LYS A 63 11.055 -4.983 5.601 1.00 0.66 O ATOM 1002 CB LYS A 63 13.065 -4.987 3.118 1.00 0.74 C ATOM 1003 CG LYS A 63 13.935 -5.156 4.366 1.00 0.89 C ATOM 1004 CD LYS A 63 14.801 -6.414 4.271 1.00 1.11 C ATOM 1005 CE LYS A 63 15.637 -6.698 5.520 1.00 1.47 C ATOM 1006 NZ LYS A 63 14.863 -7.192 6.681 1.00 2.12 N ATOM 0 H LYS A 63 13.065 -2.808 3.719 1.00 0.64 H new ATOM 0 HA LYS A 63 11.021 -4.215 2.514 1.00 0.62 H new ATOM 0 HB2 LYS A 63 12.882 -5.971 2.686 1.00 0.74 H new ATOM 0 HB3 LYS A 63 13.625 -4.414 2.379 1.00 0.74 H new ATOM 0 HG2 LYS A 63 14.573 -4.281 4.489 1.00 0.89 H new ATOM 0 HG3 LYS A 63 13.300 -5.214 5.250 1.00 0.89 H new ATOM 0 HD2 LYS A 63 14.156 -7.271 4.077 1.00 1.11 H new ATOM 0 HD3 LYS A 63 15.469 -6.317 3.415 1.00 1.11 H new ATOM 0 HE2 LYS A 63 16.401 -7.434 5.270 1.00 1.47 H new ATOM 0 HE3 LYS A 63 16.157 -5.784 5.809 1.00 1.47 H new ATOM 0 HZ1 LYS A 63 15.441 -7.866 7.223 1.00 2.12 H new ATOM 0 HZ2 LYS A 63 14.602 -6.391 7.291 1.00 2.12 H new ATOM 0 HZ3 LYS A 63 14.001 -7.667 6.346 1.00 2.12 H new ATOM 1020 N GLU A 64 10.231 -6.078 3.854 1.00 0.57 N ATOM 1021 CA GLU A 64 9.540 -7.092 4.588 1.00 0.58 C ATOM 1022 C GLU A 64 8.473 -6.550 5.476 1.00 0.56 C ATOM 1023 O GLU A 64 7.979 -7.182 6.408 1.00 0.70 O ATOM 1024 CB GLU A 64 10.400 -8.168 5.273 1.00 0.72 C ATOM 1025 CG GLU A 64 11.429 -8.982 4.487 1.00 0.96 C ATOM 1026 CD GLU A 64 12.404 -9.815 5.305 1.00 1.18 C ATOM 1027 OE1 GLU A 64 13.298 -9.265 6.002 1.00 1.71 O ATOM 1028 OE2 GLU A 64 12.360 -11.067 5.171 1.00 1.69 O ATOM 0 H GLU A 64 10.061 -6.140 2.850 1.00 0.57 H new ATOM 0 HA GLU A 64 9.049 -7.654 3.794 1.00 0.58 H new ATOM 0 HB2 GLU A 64 10.936 -7.677 6.085 1.00 0.72 H new ATOM 0 HB3 GLU A 64 9.713 -8.880 5.730 1.00 0.72 H new ATOM 0 HG2 GLU A 64 10.893 -9.649 3.812 1.00 0.96 H new ATOM 0 HG3 GLU A 64 12.004 -8.296 3.866 1.00 0.96 H new ATOM 1035 N SER A 65 8.074 -5.302 5.167 1.00 0.51 N ATOM 1036 CA SER A 65 7.174 -4.525 5.960 1.00 0.51 C ATOM 1037 C SER A 65 5.758 -4.747 5.555 1.00 0.43 C ATOM 1038 O SER A 65 5.351 -5.296 4.532 1.00 0.50 O ATOM 1039 CB SER A 65 7.568 -3.040 5.883 1.00 0.65 C ATOM 1040 OG SER A 65 7.581 -2.503 4.569 1.00 1.04 O ATOM 0 H SER A 65 8.393 -4.815 4.329 1.00 0.51 H new ATOM 0 HA SER A 65 7.251 -4.848 6.998 1.00 0.51 H new ATOM 0 HB2 SER A 65 6.874 -2.461 6.492 1.00 0.65 H new ATOM 0 HB3 SER A 65 8.558 -2.916 6.323 1.00 0.65 H new ATOM 0 HG SER A 65 8.440 -2.061 4.405 1.00 1.04 H new ATOM 1046 N THR A 66 4.769 -4.342 6.372 1.00 0.45 N ATOM 1047 CA THR A 66 3.379 -4.546 6.102 1.00 0.45 C ATOM 1048 C THR A 66 2.603 -3.277 6.033 1.00 0.43 C ATOM 1049 O THR A 66 2.471 -2.570 7.032 1.00 0.58 O ATOM 1050 CB THR A 66 2.749 -5.479 7.093 1.00 0.61 C ATOM 1051 OG1 THR A 66 3.159 -6.831 6.951 1.00 0.79 O ATOM 1052 CG2 THR A 66 1.212 -5.488 7.061 1.00 0.78 C ATOM 0 H THR A 66 4.943 -3.855 7.251 1.00 0.45 H new ATOM 0 HA THR A 66 3.342 -5.005 5.114 1.00 0.45 H new ATOM 0 HB THR A 66 3.102 -5.072 8.041 1.00 0.61 H new ATOM 0 HG1 THR A 66 2.712 -7.381 7.628 1.00 0.79 H new ATOM 0 HG21 THR A 66 0.837 -6.188 7.807 1.00 0.78 H new ATOM 0 HG22 THR A 66 0.838 -4.488 7.281 1.00 0.78 H new ATOM 0 HG23 THR A 66 0.870 -5.794 6.072 1.00 0.78 H new ATOM 1060 N LEU A 67 2.156 -2.863 4.834 1.00 0.38 N ATOM 1061 CA LEU A 67 1.186 -1.832 4.634 1.00 0.38 C ATOM 1062 C LEU A 67 -0.216 -2.305 4.797 1.00 0.37 C ATOM 1063 O LEU A 67 -0.553 -3.408 4.370 1.00 0.50 O ATOM 1064 CB LEU A 67 1.419 -1.234 3.235 1.00 0.46 C ATOM 1065 CG LEU A 67 2.861 -0.855 2.863 1.00 0.65 C ATOM 1066 CD1 LEU A 67 2.745 -0.326 1.423 1.00 1.40 C ATOM 1067 CD2 LEU A 67 3.632 0.106 3.783 1.00 1.31 C ATOM 0 H LEU A 67 2.489 -3.269 3.959 1.00 0.38 H new ATOM 0 HA LEU A 67 1.317 -1.072 5.404 1.00 0.38 H new ATOM 0 HB2 LEU A 67 1.057 -1.950 2.497 1.00 0.46 H new ATOM 0 HB3 LEU A 67 0.801 -0.341 3.142 1.00 0.46 H new ATOM 0 HG LEU A 67 3.488 -1.739 2.980 1.00 0.65 H new ATOM 0 HD11 LEU A 67 3.730 -0.027 1.065 1.00 1.40 H new ATOM 0 HD12 LEU A 67 2.347 -1.110 0.779 1.00 1.40 H new ATOM 0 HD13 LEU A 67 2.076 0.534 1.404 1.00 1.40 H new ATOM 0 HD21 LEU A 67 4.632 0.271 3.381 1.00 1.31 H new ATOM 0 HD22 LEU A 67 3.103 1.057 3.841 1.00 1.31 H new ATOM 0 HD23 LEU A 67 3.709 -0.328 4.780 1.00 1.31 H new ATOM 1079 N HIS A 68 -1.068 -1.514 5.474 1.00 0.35 N ATOM 1080 CA HIS A 68 -2.421 -1.910 5.718 1.00 0.37 C ATOM 1081 C HIS A 68 -3.332 -1.283 4.719 1.00 0.35 C ATOM 1082 O HIS A 68 -3.492 -0.064 4.684 1.00 0.48 O ATOM 1083 CB HIS A 68 -2.876 -1.473 7.120 1.00 0.49 C ATOM 1084 CG HIS A 68 -1.931 -2.000 8.159 1.00 0.75 C ATOM 1085 ND1 HIS A 68 -1.501 -1.174 9.177 1.00 1.35 N ATOM 1086 CD2 HIS A 68 -1.314 -3.191 8.383 1.00 1.48 C ATOM 1087 CE1 HIS A 68 -0.639 -1.869 9.967 1.00 1.41 C ATOM 1088 NE2 HIS A 68 -0.556 -3.114 9.535 1.00 1.51 N ATOM 0 H HIS A 68 -0.820 -0.600 5.853 1.00 0.35 H new ATOM 0 HA HIS A 68 -2.464 -2.996 5.639 1.00 0.37 H new ATOM 0 HB2 HIS A 68 -2.918 -0.385 7.174 1.00 0.49 H new ATOM 0 HB3 HIS A 68 -3.884 -1.841 7.314 1.00 0.49 H new ATOM 0 HD2 HIS A 68 -1.403 -4.065 7.755 1.00 1.48 H new ATOM 0 HE1 HIS A 68 -0.106 -1.466 10.815 1.00 1.41 H new ATOM 0 HE2 HIS A 68 -0.032 -3.874 9.969 1.00 1.51 H new ATOM 1096 N LEU A 69 -3.928 -2.186 3.919 1.00 0.36 N ATOM 1097 CA LEU A 69 -4.787 -1.744 2.864 1.00 0.38 C ATOM 1098 C LEU A 69 -6.175 -1.748 3.406 1.00 0.41 C ATOM 1099 O LEU A 69 -6.659 -2.780 3.868 1.00 0.56 O ATOM 1100 CB LEU A 69 -4.610 -2.621 1.614 1.00 0.48 C ATOM 1101 CG LEU A 69 -5.596 -2.150 0.532 1.00 0.56 C ATOM 1102 CD1 LEU A 69 -5.370 -0.780 -0.133 1.00 1.01 C ATOM 1103 CD2 LEU A 69 -5.681 -3.185 -0.602 1.00 1.14 C ATOM 0 H LEU A 69 -3.820 -3.197 3.998 1.00 0.36 H new ATOM 0 HA LEU A 69 -4.540 -0.735 2.534 1.00 0.38 H new ATOM 0 HB2 LEU A 69 -3.586 -2.552 1.247 1.00 0.48 H new ATOM 0 HB3 LEU A 69 -4.791 -3.668 1.859 1.00 0.48 H new ATOM 0 HG LEU A 69 -6.511 -2.038 1.114 1.00 0.56 H new ATOM 0 HD11 LEU A 69 -6.152 -0.600 -0.871 1.00 1.01 H new ATOM 0 HD12 LEU A 69 -5.401 0.002 0.626 1.00 1.01 H new ATOM 0 HD13 LEU A 69 -4.397 -0.770 -0.625 1.00 1.01 H new ATOM 0 HD21 LEU A 69 -6.383 -2.837 -1.360 1.00 1.14 H new ATOM 0 HD22 LEU A 69 -4.696 -3.314 -1.051 1.00 1.14 H new ATOM 0 HD23 LEU A 69 -6.024 -4.138 -0.200 1.00 1.14 H new ATOM 1115 N VAL A 70 -6.699 -0.515 3.530 1.00 0.45 N ATOM 1116 CA VAL A 70 -8.025 -0.147 3.918 1.00 0.56 C ATOM 1117 C VAL A 70 -8.696 0.207 2.636 1.00 0.55 C ATOM 1118 O VAL A 70 -8.072 0.752 1.728 1.00 0.58 O ATOM 1119 CB VAL A 70 -8.056 1.033 4.843 1.00 0.77 C ATOM 1120 CG1 VAL A 70 -9.452 0.939 5.484 1.00 1.23 C ATOM 1121 CG2 VAL A 70 -6.984 0.865 5.932 1.00 0.97 C ATOM 0 H VAL A 70 -6.130 0.309 3.337 1.00 0.45 H new ATOM 0 HA VAL A 70 -8.508 -0.958 4.463 1.00 0.56 H new ATOM 0 HB VAL A 70 -7.869 1.981 4.340 1.00 0.77 H new ATOM 0 HG11 VAL A 70 -9.586 1.762 6.186 1.00 1.23 H new ATOM 0 HG12 VAL A 70 -10.214 0.998 4.707 1.00 1.23 H new ATOM 0 HG13 VAL A 70 -9.546 -0.009 6.014 1.00 1.23 H new ATOM 0 HG21 VAL A 70 -7.009 1.724 6.603 1.00 0.97 H new ATOM 0 HG22 VAL A 70 -7.181 -0.044 6.500 1.00 0.97 H new ATOM 0 HG23 VAL A 70 -6.001 0.796 5.467 1.00 0.97 H new ATOM 1131 N LEU A 71 -9.994 -0.119 2.490 1.00 0.73 N ATOM 1132 CA LEU A 71 -10.737 0.271 1.332 1.00 0.84 C ATOM 1133 C LEU A 71 -11.611 1.422 1.692 1.00 0.85 C ATOM 1134 O LEU A 71 -12.604 1.257 2.399 1.00 1.03 O ATOM 1135 CB LEU A 71 -11.585 -0.897 0.801 1.00 1.26 C ATOM 1136 CG LEU A 71 -10.773 -2.035 0.162 1.00 1.86 C ATOM 1137 CD1 LEU A 71 -11.600 -3.151 -0.500 1.00 1.95 C ATOM 1138 CD2 LEU A 71 -9.667 -1.582 -0.807 1.00 2.78 C ATOM 0 H LEU A 71 -10.529 -0.653 3.175 1.00 0.73 H new ATOM 0 HA LEU A 71 -10.045 0.561 0.542 1.00 0.84 H new ATOM 0 HB2 LEU A 71 -12.174 -1.305 1.623 1.00 1.26 H new ATOM 0 HB3 LEU A 71 -12.290 -0.512 0.064 1.00 1.26 H new ATOM 0 HG LEU A 71 -10.297 -2.460 1.046 1.00 1.86 H new ATOM 0 HD11 LEU A 71 -10.929 -3.901 -0.918 1.00 1.95 H new ATOM 0 HD12 LEU A 71 -12.245 -3.616 0.245 1.00 1.95 H new ATOM 0 HD13 LEU A 71 -12.212 -2.727 -1.296 1.00 1.95 H new ATOM 0 HD21 LEU A 71 -9.152 -2.456 -1.205 1.00 2.78 H new ATOM 0 HD22 LEU A 71 -10.111 -1.018 -1.627 1.00 2.78 H new ATOM 0 HD23 LEU A 71 -8.954 -0.951 -0.276 1.00 2.78 H new ATOM 1150 N ARG A 72 -11.304 2.586 1.091 1.00 0.92 N ATOM 1151 CA ARG A 72 -12.013 3.807 1.320 1.00 1.10 C ATOM 1152 C ARG A 72 -13.287 3.787 0.546 1.00 1.35 C ATOM 1153 O ARG A 72 -13.290 3.202 -0.535 1.00 1.56 O ATOM 1154 CB ARG A 72 -11.066 4.938 0.889 1.00 1.34 C ATOM 1155 CG ARG A 72 -11.420 6.281 1.532 1.00 1.65 C ATOM 1156 CD ARG A 72 -10.391 7.376 1.237 1.00 1.99 C ATOM 1157 NE ARG A 72 -10.922 8.681 1.722 1.00 2.54 N ATOM 1158 CZ ARG A 72 -10.143 9.801 1.769 1.00 2.98 C ATOM 1159 NH1 ARG A 72 -8.984 9.898 1.055 1.00 2.89 N ATOM 1160 NH2 ARG A 72 -10.530 10.933 2.427 1.00 3.75 N ATOM 0 H ARG A 72 -10.538 2.680 0.424 1.00 0.92 H new ATOM 0 HA ARG A 72 -12.293 3.950 2.364 1.00 1.10 H new ATOM 0 HB2 ARG A 72 -10.043 4.671 1.154 1.00 1.34 H new ATOM 0 HB3 ARG A 72 -11.098 5.039 -0.196 1.00 1.34 H new ATOM 0 HG2 ARG A 72 -12.398 6.603 1.173 1.00 1.65 H new ATOM 0 HG3 ARG A 72 -11.504 6.150 2.611 1.00 1.65 H new ATOM 0 HD2 ARG A 72 -9.446 7.147 1.729 1.00 1.99 H new ATOM 0 HD3 ARG A 72 -10.189 7.425 0.167 1.00 1.99 H new ATOM 0 HE ARG A 72 -11.894 8.739 2.027 1.00 2.54 H new ATOM 0 HH11 ARG A 72 -8.680 9.121 0.467 1.00 2.89 H new ATOM 0 HH12 ARG A 72 -8.421 10.747 1.109 1.00 2.89 H new ATOM 0 HH21 ARG A 72 -11.430 10.962 2.906 1.00 3.75 H new ATOM 0 HH22 ARG A 72 -9.919 11.750 2.439 1.00 3.75 H new ATOM 1174 N LEU A 73 -14.376 4.400 1.042 1.00 1.54 N ATOM 1175 CA LEU A 73 -15.605 4.568 0.330 1.00 1.93 C ATOM 1176 C LEU A 73 -15.748 5.957 -0.188 1.00 2.13 C ATOM 1177 O LEU A 73 -15.068 6.889 0.241 1.00 2.57 O ATOM 1178 CB LEU A 73 -16.826 4.346 1.238 1.00 2.23 C ATOM 1179 CG LEU A 73 -16.970 2.890 1.710 1.00 2.50 C ATOM 1180 CD1 LEU A 73 -18.153 2.812 2.689 1.00 2.79 C ATOM 1181 CD2 LEU A 73 -17.296 2.035 0.473 1.00 3.14 C ATOM 0 H LEU A 73 -14.401 4.796 1.981 1.00 1.54 H new ATOM 0 HA LEU A 73 -15.571 3.837 -0.477 1.00 1.93 H new ATOM 0 HB2 LEU A 73 -16.747 4.998 2.108 1.00 2.23 H new ATOM 0 HB3 LEU A 73 -17.728 4.639 0.701 1.00 2.23 H new ATOM 0 HG LEU A 73 -16.059 2.540 2.197 1.00 2.50 H new ATOM 0 HD11 LEU A 73 -18.271 1.785 3.035 1.00 2.79 H new ATOM 0 HD12 LEU A 73 -17.963 3.463 3.542 1.00 2.79 H new ATOM 0 HD13 LEU A 73 -19.065 3.132 2.184 1.00 2.79 H new ATOM 0 HD21 LEU A 73 -17.406 0.992 0.770 1.00 3.14 H new ATOM 0 HD22 LEU A 73 -18.226 2.384 0.024 1.00 3.14 H new ATOM 0 HD23 LEU A 73 -16.488 2.122 -0.253 1.00 3.14 H new ATOM 1193 N ARG A 74 -16.703 6.208 -1.101 1.00 2.32 N ATOM 1194 CA ARG A 74 -17.034 7.487 -1.648 1.00 2.55 C ATOM 1195 C ARG A 74 -18.125 8.184 -0.911 1.00 2.58 C ATOM 1196 O ARG A 74 -19.327 8.036 -1.124 1.00 3.08 O ATOM 1197 CB ARG A 74 -17.503 7.206 -3.086 1.00 3.29 C ATOM 1198 CG ARG A 74 -17.776 8.488 -3.876 1.00 4.01 C ATOM 1199 CD ARG A 74 -18.521 8.137 -5.166 1.00 4.67 C ATOM 1200 NE ARG A 74 -17.467 7.657 -6.103 1.00 5.36 N ATOM 1201 CZ ARG A 74 -17.832 6.901 -7.179 1.00 6.04 C ATOM 1202 NH1 ARG A 74 -19.100 6.490 -7.469 1.00 6.20 N ATOM 1203 NH2 ARG A 74 -16.826 6.194 -7.770 1.00 6.80 N ATOM 0 H ARG A 74 -17.285 5.463 -1.484 1.00 2.32 H new ATOM 0 HA ARG A 74 -16.166 8.143 -1.586 1.00 2.55 H new ATOM 0 HB2 ARG A 74 -16.744 6.619 -3.604 1.00 3.29 H new ATOM 0 HB3 ARG A 74 -18.409 6.601 -3.057 1.00 3.29 H new ATOM 0 HG2 ARG A 74 -18.369 9.179 -3.277 1.00 4.01 H new ATOM 0 HG3 ARG A 74 -16.838 8.992 -4.109 1.00 4.01 H new ATOM 0 HD2 ARG A 74 -19.273 7.368 -4.990 1.00 4.67 H new ATOM 0 HD3 ARG A 74 -19.042 9.005 -5.570 1.00 4.67 H new ATOM 0 HE ARG A 74 -16.487 7.890 -5.943 1.00 5.36 H new ATOM 0 HH11 ARG A 74 -19.873 6.748 -6.855 1.00 6.20 H new ATOM 0 HH12 ARG A 74 -19.276 5.925 -8.300 1.00 6.20 H new ATOM 0 HH21 ARG A 74 -15.877 6.253 -7.402 1.00 6.80 H new ATOM 0 HH22 ARG A 74 -17.023 5.606 -8.580 1.00 6.80 H new ATOM 1217 N GLY A 75 -17.762 9.040 0.061 1.00 2.73 N ATOM 1218 CA GLY A 75 -18.655 9.713 0.953 1.00 3.22 C ATOM 1219 C GLY A 75 -17.862 10.521 1.922 1.00 3.16 C ATOM 1220 O GLY A 75 -17.543 11.689 1.707 1.00 3.57 O ATOM 0 H GLY A 75 -16.785 9.276 0.234 1.00 2.73 H new ATOM 0 HA2 GLY A 75 -19.332 10.357 0.392 1.00 3.22 H new ATOM 0 HA3 GLY A 75 -19.272 8.988 1.484 1.00 3.22 H new ATOM 1224 N GLY A 76 -17.625 9.896 3.090 1.00 3.14 N ATOM 1225 CA GLY A 76 -16.796 10.565 4.045 1.00 3.37 C ATOM 1226 C GLY A 76 -15.953 9.581 4.843 1.00 3.48 C ATOM 1227 O GLY A 76 -14.758 9.355 4.516 1.00 3.87 O ATOM 1228 OXT GLY A 76 -16.509 8.947 5.780 1.00 3.70 O ATOM 0 H GLY A 76 -17.983 8.981 3.364 1.00 3.14 H new ATOM 0 HA2 GLY A 76 -16.143 11.270 3.530 1.00 3.37 H new ATOM 0 HA3 GLY A 76 -17.419 11.146 4.725 1.00 3.37 H new TER 1232 GLY A 76