USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 57 SER OG : rot -75:sc= 0.509 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 173:sc= 0.644 (180deg=0) USER MOD Set 2.2: A 12 THR OG1 : rot 160:sc= 0.575 USER MOD Single : A 1 MET CE :methyl -137:sc= -0.0845 (180deg=-0.835) USER MOD Single : A 1 MET N :NH3+ -172:sc= 2.49 (180deg=2.36) USER MOD Single : A 2 GLN : amide:sc= 0.359 X(o=0.36,f=-0.0061) USER MOD Single : A 7 THR OG1 : rot 170:sc= 0.478 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 142:sc= 1.16 (180deg=-1.53!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -145:sc= 1.18 (180deg=0.32) USER MOD Single : A 29 LYS NZ :NH3+ 135:sc= 1.31 (180deg=1.06) USER MOD Single : A 31 GLN : amide:sc= -0.0639 K(o=-0.064,f=-0.8) USER MOD Single : A 33 LYS NZ :NH3+ 140:sc= 0.00904 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0064 K(o=-0.0064,f=-1.3) USER MOD Single : A 41 GLN : amide:sc= 0.884 K(o=0.88,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.368 X(o=-0.37,f=-0.37) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.891 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.0418) USER MOD Single : A 65 SER OG : rot 85:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.198 K(o=0.2,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.553 -7.211 -4.773 1.00 9.67 N ATOM 2 CA MET A 1 11.424 -7.015 -3.312 1.00 10.38 C ATOM 3 C MET A 1 10.026 -7.382 -2.871 1.00 9.62 C ATOM 4 O MET A 1 9.061 -6.941 -3.468 1.00 9.62 O ATOM 5 CB MET A 1 11.661 -5.555 -2.878 1.00 13.77 C ATOM 6 CG MET A 1 11.859 -5.328 -1.354 1.00 16.29 C ATOM 7 SD MET A 1 12.338 -3.637 -0.899 1.00 17.17 S ATOM 8 CE MET A 1 10.703 -2.914 -0.923 1.00 16.11 C ATOM 0 H1 MET A 1 12.547 -7.089 -5.053 1.00 9.67 H new ATOM 0 H2 MET A 1 11.237 -8.170 -5.024 1.00 9.67 H new ATOM 0 H3 MET A 1 10.965 -6.512 -5.270 1.00 9.67 H new ATOM 0 HA MET A 1 12.183 -7.649 -2.853 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.541 -5.179 -3.400 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.813 -4.955 -3.209 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.932 -5.580 -0.839 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.622 -6.018 -0.993 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.742 -1.942 -1.414 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.024 -3.569 -1.468 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.345 -2.790 0.099 1.00 16.11 H new ATOM 20 N GLN A 2 9.874 -8.229 -1.834 1.00 9.27 N ATOM 21 CA GLN A 2 8.578 -8.788 -1.426 1.00 9.07 C ATOM 22 C GLN A 2 8.204 -8.139 -0.122 1.00 8.72 C ATOM 23 O GLN A 2 8.965 -8.075 0.834 1.00 8.22 O ATOM 24 CB GLN A 2 8.707 -10.341 -1.411 1.00 14.46 C ATOM 25 CG GLN A 2 7.427 -11.166 -1.103 1.00 17.01 C ATOM 26 CD GLN A 2 7.663 -12.595 -1.567 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.589 -13.536 -0.760 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.818 -12.806 -2.866 1.00 19.49 N ATOM 0 H GLN A 2 10.653 -8.544 -1.256 1.00 9.27 H new ATOM 0 HA GLN A 2 7.758 -8.577 -2.112 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.084 -10.656 -2.384 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.464 -10.608 -0.674 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.208 -11.144 -0.036 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.565 -10.737 -1.615 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.876 -12.015 -3.508 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.879 -13.759 -3.224 1.00 19.49 H new ATOM 37 N ILE A 3 6.950 -7.665 -0.101 1.00 5.87 N ATOM 38 CA ILE A 3 6.420 -7.033 1.103 1.00 5.07 C ATOM 39 C ILE A 3 5.053 -7.608 1.432 1.00 4.01 C ATOM 40 O ILE A 3 4.437 -8.245 0.591 1.00 4.61 O ATOM 41 CB ILE A 3 6.318 -5.492 0.995 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.468 -5.074 -0.240 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.787 -5.041 0.936 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.186 -3.514 -0.307 1.00 10.83 C ATOM 0 H ILE A 3 6.301 -7.708 -0.887 1.00 5.87 H new ATOM 0 HA ILE A 3 7.130 -7.249 1.902 1.00 5.07 H new ATOM 0 HB ILE A 3 5.799 -5.018 1.828 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.984 -5.383 -1.149 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.518 -5.608 -0.216 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.831 -3.955 0.858 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.302 -5.361 1.842 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.270 -5.487 0.067 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.589 -3.290 -1.191 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.643 -3.204 0.586 1.00 10.83 H new ATOM 0 HD13 ILE A 3 6.132 -2.975 -0.362 1.00 10.83 H new ATOM 56 N PHE A 4 4.439 -7.353 2.626 1.00 4.55 N ATOM 57 CA PHE A 4 3.153 -7.877 3.041 1.00 4.68 C ATOM 58 C PHE A 4 2.209 -6.689 3.267 1.00 5.30 C ATOM 59 O PHE A 4 2.663 -5.647 3.769 1.00 5.58 O ATOM 60 CB PHE A 4 3.268 -8.779 4.319 1.00 4.83 C ATOM 61 CG PHE A 4 4.378 -9.749 4.263 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.699 -10.488 3.101 1.00 6.69 C ATOM 63 CD2 PHE A 4 4.972 -10.059 5.498 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.724 -11.421 3.160 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.113 -10.906 5.523 1.00 10.61 C ATOM 66 CZ PHE A 4 6.459 -11.617 4.370 1.00 8.90 C ATOM 0 H PHE A 4 4.863 -6.752 3.333 1.00 4.55 H new ATOM 0 HA PHE A 4 2.754 -8.525 2.260 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.399 -8.141 5.193 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.332 -9.320 4.457 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.155 -10.329 2.182 1.00 6.69 H new ATOM 0 HD2 PHE A 4 4.567 -9.659 6.416 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.969 -12.004 2.284 1.00 9.10 H new ATOM 0 HE2 PHE A 4 6.705 -10.999 6.421 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.283 -12.315 4.394 1.00 8.90 H new ATOM 76 N VAL A 5 0.979 -6.834 2.776 1.00 4.44 N ATOM 77 CA VAL A 5 -0.021 -5.816 3.095 1.00 3.87 C ATOM 78 C VAL A 5 -1.121 -6.454 3.964 1.00 4.93 C ATOM 79 O VAL A 5 -1.694 -7.469 3.598 1.00 6.84 O ATOM 80 CB VAL A 5 -0.611 -5.296 1.781 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.864 -4.424 1.953 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.561 -4.582 1.092 1.00 9.13 C ATOM 0 H VAL A 5 0.661 -7.603 2.186 1.00 4.44 H new ATOM 0 HA VAL A 5 0.426 -4.988 3.645 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.002 -6.109 1.169 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.217 -4.098 0.975 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.645 -5.003 2.446 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.620 -3.552 2.560 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.229 -4.175 0.137 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.917 -3.771 1.727 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.370 -5.292 0.922 1.00 9.13 H new ATOM 92 N LYS A 6 -1.409 -5.829 5.118 1.00 6.04 N ATOM 93 CA LYS A 6 -2.172 -6.414 6.218 1.00 6.12 C ATOM 94 C LYS A 6 -3.533 -5.732 6.318 1.00 6.57 C ATOM 95 O LYS A 6 -3.691 -4.517 6.340 1.00 5.76 O ATOM 96 CB LYS A 6 -1.441 -6.408 7.562 1.00 7.45 C ATOM 97 CG LYS A 6 -2.170 -7.117 8.726 1.00 11.12 C ATOM 98 CD LYS A 6 -1.981 -8.632 8.648 1.00 14.54 C ATOM 99 CE LYS A 6 -0.653 -9.036 9.300 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.700 -10.459 9.517 1.00 20.55 N ATOM 0 H LYS A 6 -1.105 -4.874 5.310 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.306 -7.469 5.981 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.467 -6.879 7.427 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.257 -5.373 7.850 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.788 -6.748 9.678 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.233 -6.877 8.694 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.808 -9.135 9.149 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.996 -8.954 7.607 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.187 -8.773 8.657 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.511 -8.508 10.243 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 0.228 -10.790 9.849 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.422 -10.677 10.233 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.940 -10.938 8.626 1.00 20.55 H new ATOM 114 N THR A 7 -4.642 -6.476 6.203 1.00 7.41 N ATOM 115 CA THR A 7 -5.977 -5.914 6.154 1.00 7.48 C ATOM 116 C THR A 7 -6.608 -5.858 7.546 1.00 8.75 C ATOM 117 O THR A 7 -6.139 -6.513 8.472 1.00 8.58 O ATOM 118 CB THR A 7 -6.945 -6.778 5.318 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.111 -8.111 5.777 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.466 -6.832 3.841 1.00 9.17 C ATOM 0 H THR A 7 -4.625 -7.494 6.142 1.00 7.41 H new ATOM 0 HA THR A 7 -5.848 -4.924 5.717 1.00 7.48 H new ATOM 0 HB THR A 7 -7.913 -6.288 5.419 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.853 -8.533 5.295 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.154 -7.444 3.257 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.439 -5.823 3.430 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.468 -7.268 3.798 1.00 9.17 H new ATOM 128 N LEU A 8 -7.707 -5.133 7.706 1.00 9.84 N ATOM 129 CA LEU A 8 -8.481 -5.061 8.941 1.00 14.15 C ATOM 130 C LEU A 8 -8.965 -6.422 9.456 1.00 17.37 C ATOM 131 O LEU A 8 -8.828 -6.755 10.658 1.00 17.01 O ATOM 132 CB LEU A 8 -9.775 -4.235 8.656 1.00 16.63 C ATOM 133 CG LEU A 8 -10.852 -4.068 9.762 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.409 -3.314 11.029 1.00 19.31 C ATOM 135 CD2 LEU A 8 -12.090 -3.368 9.327 1.00 18.59 C ATOM 0 H LEU A 8 -8.098 -4.561 6.958 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.820 -4.622 9.688 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.461 -3.235 8.356 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.264 -4.687 7.793 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.036 -5.119 9.986 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -11.242 -3.259 11.730 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.577 -3.843 11.495 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.093 -2.306 10.761 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -12.783 -3.299 10.166 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -11.839 -2.366 8.980 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -12.558 -3.926 8.516 1.00 18.59 H new ATOM 147 N THR A 9 -9.480 -7.299 8.577 1.00 18.33 N ATOM 148 CA THR A 9 -9.879 -8.631 9.020 1.00 19.24 C ATOM 149 C THR A 9 -8.752 -9.675 9.020 1.00 19.48 C ATOM 150 O THR A 9 -9.063 -10.859 9.133 1.00 23.14 O ATOM 151 CB THR A 9 -11.051 -9.148 8.239 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.880 -9.293 6.844 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.217 -8.160 8.464 1.00 19.70 C ATOM 0 H THR A 9 -9.624 -7.111 7.585 1.00 18.33 H new ATOM 0 HA THR A 9 -10.165 -8.490 10.062 1.00 19.24 H new ATOM 0 HB THR A 9 -11.220 -10.160 8.608 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.707 -9.637 6.447 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.093 -8.499 7.912 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.454 -8.113 9.527 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.928 -7.170 8.113 1.00 19.70 H new ATOM 161 N GLY A 10 -7.441 -9.294 9.034 1.00 19.43 N ATOM 162 CA GLY A 10 -6.250 -10.159 9.108 1.00 18.74 C ATOM 163 C GLY A 10 -6.046 -11.090 7.951 1.00 17.62 C ATOM 164 O GLY A 10 -5.708 -12.281 8.087 1.00 19.74 O ATOM 0 H GLY A 10 -7.184 -8.308 8.991 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.369 -9.524 9.199 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.311 -10.752 10.021 1.00 18.74 H new ATOM 168 N LYS A 11 -6.212 -10.649 6.693 1.00 13.56 N ATOM 169 CA LYS A 11 -5.531 -11.207 5.504 1.00 11.91 C ATOM 170 C LYS A 11 -4.224 -10.612 5.262 1.00 10.18 C ATOM 171 O LYS A 11 -4.006 -9.463 5.474 1.00 9.10 O ATOM 172 CB LYS A 11 -6.438 -10.881 4.327 1.00 13.43 C ATOM 173 CG LYS A 11 -5.981 -11.570 3.014 1.00 16.69 C ATOM 174 CD LYS A 11 -7.016 -11.551 1.902 1.00 17.92 C ATOM 175 CE LYS A 11 -6.600 -12.381 0.692 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.532 -12.261 -0.430 1.00 21.93 N ATOM 0 H LYS A 11 -6.838 -9.876 6.465 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.361 -12.274 5.649 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.456 -11.192 4.561 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.460 -9.801 4.178 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.074 -11.081 2.658 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.720 -12.605 3.233 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.963 -11.928 2.287 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.187 -10.521 1.589 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.607 -12.069 0.368 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.525 -13.428 0.985 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.000 -12.248 -1.323 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.184 -13.071 -0.428 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.075 -11.379 -0.337 1.00 21.93 H new ATOM 190 N THR A 12 -3.196 -11.385 4.853 1.00 9.63 N ATOM 191 CA THR A 12 -1.877 -10.849 4.678 1.00 9.85 C ATOM 192 C THR A 12 -1.482 -11.039 3.228 1.00 11.66 C ATOM 193 O THR A 12 -1.168 -12.176 2.807 1.00 12.33 O ATOM 194 CB THR A 12 -0.860 -11.542 5.528 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.356 -11.638 6.844 1.00 10.91 O ATOM 196 CG2 THR A 12 0.368 -10.644 5.561 1.00 9.63 C ATOM 0 H THR A 12 -3.279 -12.380 4.644 1.00 9.63 H new ATOM 0 HA THR A 12 -1.900 -9.799 4.969 1.00 9.85 H new ATOM 0 HB THR A 12 -0.634 -12.534 5.138 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.876 -12.345 7.324 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.142 -11.108 6.172 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.742 -10.502 4.547 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.100 -9.677 5.988 1.00 9.63 H new ATOM 204 N ILE A 13 -1.522 -10.024 2.439 1.00 10.42 N ATOM 205 CA ILE A 13 -1.442 -10.031 0.987 1.00 11.84 C ATOM 206 C ILE A 13 0.008 -9.998 0.685 1.00 10.55 C ATOM 207 O ILE A 13 0.626 -9.090 1.131 1.00 11.92 O ATOM 208 CB ILE A 13 -2.146 -8.861 0.231 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.531 -8.529 0.868 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.417 -9.359 -1.220 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.230 -7.267 0.188 1.00 16.46 C ATOM 0 H ILE A 13 -1.620 -9.077 2.806 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.978 -10.912 0.635 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.514 -7.974 0.271 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.186 -9.396 0.777 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.401 -8.338 1.933 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.910 -8.571 -1.789 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.472 -9.615 -1.699 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.058 -10.240 -1.189 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.190 -7.080 0.669 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.590 -6.392 0.302 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.388 -7.466 -0.872 1.00 16.46 H new ATOM 223 N THR A 14 0.557 -10.965 -0.081 1.00 9.39 N ATOM 224 CA THR A 14 1.961 -10.982 -0.567 1.00 9.63 C ATOM 225 C THR A 14 2.148 -10.183 -1.828 1.00 11.20 C ATOM 226 O THR A 14 1.608 -10.533 -2.872 1.00 11.63 O ATOM 227 CB THR A 14 2.530 -12.385 -0.861 1.00 10.38 C ATOM 228 OG1 THR A 14 2.344 -13.187 0.297 1.00 16.30 O ATOM 229 CG2 THR A 14 4.039 -12.229 -1.106 1.00 11.66 C ATOM 0 H THR A 14 0.025 -11.779 -0.389 1.00 9.39 H new ATOM 0 HA THR A 14 2.501 -10.543 0.272 1.00 9.63 H new ATOM 0 HB THR A 14 2.040 -12.839 -1.722 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.697 -14.086 0.132 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.476 -13.205 -1.318 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.203 -11.566 -1.955 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.510 -11.805 -0.219 1.00 11.66 H new ATOM 237 N LEU A 15 2.998 -9.095 -1.833 1.00 8.29 N ATOM 238 CA LEU A 15 3.223 -8.366 -3.079 1.00 9.03 C ATOM 239 C LEU A 15 4.675 -8.427 -3.509 1.00 8.59 C ATOM 240 O LEU A 15 5.597 -8.265 -2.696 1.00 7.79 O ATOM 241 CB LEU A 15 2.864 -6.858 -2.918 1.00 11.08 C ATOM 242 CG LEU A 15 1.392 -6.576 -2.473 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.013 -5.114 -2.642 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.434 -7.377 -3.335 1.00 15.27 C ATOM 0 H LEU A 15 3.501 -8.740 -1.020 1.00 8.29 H new ATOM 0 HA LEU A 15 2.586 -8.841 -3.825 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.540 -6.414 -2.187 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.044 -6.353 -3.867 1.00 11.08 H new ATOM 0 HG LEU A 15 1.326 -6.853 -1.421 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.018 -4.966 -2.320 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.675 -4.494 -2.037 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.110 -4.832 -3.690 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.591 -7.178 -3.022 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.557 -7.089 -4.379 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.647 -8.440 -3.224 1.00 15.27 H new ATOM 256 N GLU A 16 4.977 -8.653 -4.832 1.00 11.04 N ATOM 257 CA GLU A 16 6.300 -8.359 -5.346 1.00 11.50 C ATOM 258 C GLU A 16 6.418 -6.946 -5.981 1.00 10.13 C ATOM 259 O GLU A 16 5.643 -6.520 -6.801 1.00 9.83 O ATOM 260 CB GLU A 16 6.799 -9.384 -6.398 1.00 17.22 C ATOM 261 CG GLU A 16 8.294 -9.449 -6.714 1.00 23.33 C ATOM 262 CD GLU A 16 9.152 -10.053 -5.607 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.810 -11.126 -5.049 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.240 -9.508 -5.412 1.00 28.90 O ATOM 0 H GLU A 16 4.322 -9.027 -5.519 1.00 11.04 H new ATOM 0 HA GLU A 16 6.926 -8.415 -4.456 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.489 -10.375 -6.066 1.00 17.22 H new ATOM 0 HB3 GLU A 16 6.273 -9.181 -7.331 1.00 17.22 H new ATOM 0 HG2 GLU A 16 8.434 -10.033 -7.624 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.652 -8.441 -6.924 1.00 23.33 H new ATOM 271 N VAL A 17 7.319 -6.138 -5.401 1.00 8.99 N ATOM 272 CA VAL A 17 7.514 -4.735 -5.713 1.00 8.85 C ATOM 273 C VAL A 17 9.030 -4.394 -5.933 1.00 8.04 C ATOM 274 O VAL A 17 9.925 -5.197 -5.577 1.00 8.99 O ATOM 275 CB VAL A 17 6.968 -3.808 -4.576 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.389 -3.991 -4.274 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.669 -3.972 -3.208 1.00 10.54 C ATOM 0 H VAL A 17 7.952 -6.469 -4.673 1.00 8.99 H new ATOM 0 HA VAL A 17 6.959 -4.554 -6.634 1.00 8.85 H new ATOM 0 HB VAL A 17 7.179 -2.824 -4.995 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.091 -3.313 -3.474 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.818 -3.764 -5.174 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.193 -5.019 -3.970 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.222 -3.289 -2.486 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.550 -4.998 -2.859 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.730 -3.745 -3.313 1.00 10.54 H new ATOM 287 N GLU A 18 9.302 -3.185 -6.422 1.00 7.29 N ATOM 288 CA GLU A 18 10.598 -2.584 -6.634 1.00 7.08 C ATOM 289 C GLU A 18 10.681 -1.377 -5.678 1.00 6.45 C ATOM 290 O GLU A 18 9.715 -0.639 -5.748 1.00 5.28 O ATOM 291 CB GLU A 18 10.729 -1.958 -8.060 1.00 10.28 C ATOM 292 CG GLU A 18 12.117 -1.465 -8.467 1.00 12.65 C ATOM 293 CD GLU A 18 12.276 -1.066 -9.909 1.00 14.15 C ATOM 294 OE1 GLU A 18 11.254 -1.086 -10.671 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.424 -0.748 -10.337 1.00 14.33 O ATOM 0 H GLU A 18 8.550 -2.555 -6.701 1.00 7.29 H new ATOM 0 HA GLU A 18 11.358 -3.352 -6.488 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.404 -2.700 -8.789 1.00 10.28 H new ATOM 0 HB3 GLU A 18 10.036 -1.119 -8.129 1.00 10.28 H new ATOM 0 HG2 GLU A 18 12.375 -0.609 -7.843 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.840 -2.250 -8.246 1.00 12.65 H new ATOM 302 N PRO A 19 11.717 -1.072 -4.956 1.00 7.24 N ATOM 303 CA PRO A 19 12.034 0.220 -4.313 1.00 7.07 C ATOM 304 C PRO A 19 11.561 1.476 -5.091 1.00 6.65 C ATOM 305 O PRO A 19 11.222 2.521 -4.489 1.00 6.37 O ATOM 306 CB PRO A 19 13.558 0.207 -4.178 1.00 7.61 C ATOM 307 CG PRO A 19 13.811 -1.281 -3.829 1.00 8.16 C ATOM 308 CD PRO A 19 12.867 -2.053 -4.739 1.00 7.49 C ATOM 0 HA PRO A 19 11.502 0.302 -3.365 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.056 0.505 -5.101 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.908 0.880 -3.395 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.850 -1.559 -4.007 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.603 -1.483 -2.778 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.347 -2.326 -5.679 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.526 -2.978 -4.274 1.00 7.49 H new ATOM 316 N SER A 20 11.581 1.553 -6.399 1.00 6.80 N ATOM 317 CA SER A 20 11.195 2.659 -7.284 1.00 6.28 C ATOM 318 C SER A 20 9.740 2.682 -7.697 1.00 8.45 C ATOM 319 O SER A 20 9.303 3.588 -8.401 1.00 7.26 O ATOM 320 CB SER A 20 12.044 2.642 -8.528 1.00 8.57 C ATOM 321 OG SER A 20 13.397 2.717 -8.242 1.00 11.13 O ATOM 0 H SER A 20 11.904 0.755 -6.946 1.00 6.80 H new ATOM 0 HA SER A 20 11.357 3.558 -6.689 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.844 1.729 -9.089 1.00 8.57 H new ATOM 0 HB3 SER A 20 11.763 3.478 -9.168 1.00 8.57 H new ATOM 0 HG SER A 20 13.909 2.701 -9.077 1.00 11.13 H new ATOM 327 N ASP A 21 8.948 1.699 -7.366 1.00 7.50 N ATOM 328 CA ASP A 21 7.514 1.677 -7.562 1.00 7.70 C ATOM 329 C ASP A 21 6.862 2.726 -6.718 1.00 7.08 C ATOM 330 O ASP A 21 7.132 2.856 -5.490 1.00 8.11 O ATOM 331 CB ASP A 21 6.842 0.334 -7.303 1.00 11.00 C ATOM 332 CG ASP A 21 7.291 -0.806 -8.215 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.819 -0.508 -9.311 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.136 -1.999 -7.836 1.00 14.36 O ATOM 0 H ASP A 21 9.298 0.846 -6.930 1.00 7.50 H new ATOM 0 HA ASP A 21 7.375 1.878 -8.624 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.030 0.046 -6.269 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.764 0.459 -7.408 1.00 11.00 H new ATOM 339 N THR A 22 6.051 3.571 -7.379 1.00 5.37 N ATOM 340 CA THR A 22 5.237 4.521 -6.619 1.00 6.01 C ATOM 341 C THR A 22 4.108 3.852 -5.849 1.00 8.01 C ATOM 342 O THR A 22 3.790 2.672 -6.076 1.00 8.11 O ATOM 343 CB THR A 22 4.593 5.707 -7.413 1.00 8.92 C ATOM 344 OG1 THR A 22 3.764 5.246 -8.505 1.00 10.22 O ATOM 345 CG2 THR A 22 5.664 6.600 -8.020 1.00 9.65 C ATOM 0 H THR A 22 5.946 3.614 -8.393 1.00 5.37 H new ATOM 0 HA THR A 22 5.995 4.942 -5.958 1.00 6.01 H new ATOM 0 HB THR A 22 3.987 6.253 -6.690 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.380 6.017 -8.973 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.191 7.416 -8.566 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.289 7.009 -7.226 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.281 6.016 -8.703 1.00 9.65 H new ATOM 353 N ILE A 23 3.496 4.500 -4.851 1.00 8.32 N ATOM 354 CA ILE A 23 2.485 3.964 -4.009 1.00 9.92 C ATOM 355 C ILE A 23 1.245 3.656 -4.871 1.00 10.01 C ATOM 356 O ILE A 23 0.593 2.613 -4.803 1.00 8.71 O ATOM 357 CB ILE A 23 2.096 4.847 -2.772 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.303 5.316 -1.905 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.039 4.169 -1.887 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.464 4.310 -1.724 1.00 12.30 C ATOM 0 H ILE A 23 3.725 5.466 -4.617 1.00 8.32 H new ATOM 0 HA ILE A 23 2.901 3.060 -3.565 1.00 9.92 H new ATOM 0 HB ILE A 23 1.668 5.747 -3.212 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.708 6.225 -2.349 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.928 5.584 -0.917 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.801 4.817 -1.043 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.137 3.988 -2.471 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.428 3.220 -1.517 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.239 4.757 -1.102 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.090 3.406 -1.244 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.882 4.057 -2.699 1.00 12.30 H new ATOM 372 N GLU A 24 0.881 4.578 -5.812 1.00 9.54 N ATOM 373 CA GLU A 24 -0.174 4.421 -6.785 1.00 11.81 C ATOM 374 C GLU A 24 -0.095 3.132 -7.515 1.00 11.14 C ATOM 375 O GLU A 24 -1.059 2.355 -7.616 1.00 10.62 O ATOM 376 CB GLU A 24 -0.313 5.669 -7.758 1.00 19.24 C ATOM 377 CG GLU A 24 -1.620 5.768 -8.471 1.00 27.76 C ATOM 378 CD GLU A 24 -1.667 6.958 -9.433 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.641 8.089 -8.890 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.787 6.772 -10.670 1.00 36.51 O ATOM 0 H GLU A 24 1.353 5.479 -5.892 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.101 4.387 -6.212 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.161 6.580 -7.180 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.486 5.625 -8.498 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.799 4.847 -9.026 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.424 5.862 -7.741 1.00 27.76 H new ATOM 387 N ASN A 25 1.146 2.818 -7.966 1.00 9.43 N ATOM 388 CA ASN A 25 1.581 1.574 -8.670 1.00 10.96 C ATOM 389 C ASN A 25 1.270 0.399 -7.769 1.00 9.68 C ATOM 390 O ASN A 25 0.808 -0.626 -8.295 1.00 9.33 O ATOM 391 CB ASN A 25 3.108 1.548 -8.910 1.00 16.78 C ATOM 392 CG ASN A 25 3.439 0.461 -9.911 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.880 -0.615 -9.525 1.00 25.66 O ATOM 394 ND2 ASN A 25 3.247 0.753 -11.245 1.00 24.70 N ATOM 0 H ASN A 25 1.924 3.466 -7.842 1.00 9.43 H new ATOM 0 HA ASN A 25 1.064 1.533 -9.629 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.446 2.515 -9.281 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.632 1.366 -7.972 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.475 0.059 -11.957 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.877 1.663 -11.520 1.00 24.70 H new ATOM 401 N VAL A 26 1.612 0.492 -6.467 1.00 6.52 N ATOM 402 CA VAL A 26 1.577 -0.573 -5.495 1.00 5.53 C ATOM 403 C VAL A 26 0.062 -0.837 -5.193 1.00 4.42 C ATOM 404 O VAL A 26 -0.426 -1.914 -5.027 1.00 3.40 O ATOM 405 CB VAL A 26 2.312 -0.233 -4.204 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.939 -1.022 -2.972 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.844 -0.243 -4.491 1.00 8.12 C ATOM 0 H VAL A 26 1.936 1.371 -6.063 1.00 6.52 H new ATOM 0 HA VAL A 26 2.085 -1.449 -5.899 1.00 5.53 H new ATOM 0 HB VAL A 26 1.976 0.764 -3.919 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.536 -0.680 -2.126 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.881 -0.876 -2.753 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.130 -2.081 -3.146 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.387 -0.001 -3.577 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.142 -1.232 -4.840 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.076 0.497 -5.257 1.00 8.12 H new ATOM 417 N LYS A 27 -0.712 0.250 -5.097 1.00 2.64 N ATOM 418 CA LYS A 27 -2.175 0.136 -4.961 1.00 4.14 C ATOM 419 C LYS A 27 -2.931 -0.547 -6.130 1.00 5.58 C ATOM 420 O LYS A 27 -3.848 -1.381 -5.948 1.00 4.11 O ATOM 421 CB LYS A 27 -2.883 1.419 -4.665 1.00 3.97 C ATOM 422 CG LYS A 27 -2.443 2.187 -3.375 1.00 7.45 C ATOM 423 CD LYS A 27 -3.141 3.558 -3.359 1.00 9.02 C ATOM 424 CE LYS A 27 -2.870 4.389 -2.081 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.829 5.521 -1.963 1.00 15.47 N ATOM 0 H LYS A 27 -0.360 1.207 -5.110 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.217 -0.525 -4.095 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.751 2.084 -5.518 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.950 1.208 -4.588 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.709 1.616 -2.485 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.360 2.313 -3.360 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.815 4.130 -4.228 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.216 3.408 -3.461 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.950 3.748 -1.203 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.850 4.773 -2.103 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.349 6.340 -1.538 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.181 5.778 -2.907 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.628 5.238 -1.361 1.00 15.47 H new ATOM 439 N ALA A 28 -2.515 -0.303 -7.388 1.00 6.61 N ATOM 440 CA ALA A 28 -3.095 -1.026 -8.469 1.00 7.74 C ATOM 441 C ALA A 28 -2.703 -2.524 -8.513 1.00 9.17 C ATOM 442 O ALA A 28 -3.528 -3.348 -8.964 1.00 11.45 O ATOM 443 CB ALA A 28 -2.656 -0.419 -9.724 1.00 7.68 C ATOM 0 H ALA A 28 -1.798 0.375 -7.648 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.174 -0.977 -8.325 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -3.092 -0.962 -10.563 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.979 0.621 -9.758 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.569 -0.463 -9.789 1.00 7.68 H new ATOM 449 N LYS A 29 -1.532 -2.952 -7.953 1.00 8.96 N ATOM 450 CA LYS A 29 -1.251 -4.354 -7.576 1.00 7.90 C ATOM 451 C LYS A 29 -2.227 -4.945 -6.533 1.00 6.92 C ATOM 452 O LYS A 29 -2.657 -6.071 -6.691 1.00 6.87 O ATOM 453 CB LYS A 29 0.251 -4.521 -7.209 1.00 10.28 C ATOM 454 CG LYS A 29 0.839 -5.981 -7.407 1.00 14.94 C ATOM 455 CD LYS A 29 2.306 -5.954 -7.440 1.00 19.69 C ATOM 456 CE LYS A 29 2.824 -5.804 -8.869 1.00 22.63 C ATOM 457 NZ LYS A 29 4.276 -5.436 -8.869 1.00 24.98 N ATOM 0 H LYS A 29 -0.756 -2.320 -7.753 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.445 -4.969 -8.455 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.835 -3.827 -7.813 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.388 -4.230 -6.168 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.501 -6.627 -6.596 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.458 -6.408 -8.335 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.671 -5.128 -6.830 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.699 -6.872 -7.002 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.680 -6.737 -9.413 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.250 -5.039 -9.391 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.781 -6.014 -9.571 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.379 -4.430 -9.111 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.678 -5.608 -7.925 1.00 24.98 H new ATOM 471 N ILE A 30 -2.612 -4.167 -5.487 1.00 4.57 N ATOM 472 CA ILE A 30 -3.737 -4.551 -4.641 1.00 5.58 C ATOM 473 C ILE A 30 -5.068 -4.644 -5.311 1.00 7.26 C ATOM 474 O ILE A 30 -5.804 -5.592 -5.045 1.00 9.46 O ATOM 475 CB ILE A 30 -3.809 -3.626 -3.368 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.460 -3.730 -2.629 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.021 -3.915 -2.515 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.293 -2.731 -1.466 1.00 2.00 C ATOM 0 H ILE A 30 -2.161 -3.290 -5.225 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.520 -5.580 -4.353 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.954 -2.585 -3.658 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.349 -4.743 -2.241 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.654 -3.573 -3.346 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.024 -3.251 -1.650 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.926 -3.752 -3.101 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.989 -4.951 -2.177 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.317 -2.873 -1.002 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.369 -1.713 -1.847 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.075 -2.900 -0.726 1.00 2.00 H new ATOM 490 N GLN A 31 -5.439 -3.786 -6.215 1.00 7.06 N ATOM 491 CA GLN A 31 -6.659 -3.886 -7.084 1.00 8.67 C ATOM 492 C GLN A 31 -6.617 -5.147 -7.928 1.00 10.90 C ATOM 493 O GLN A 31 -7.613 -5.911 -7.928 1.00 9.63 O ATOM 494 CB GLN A 31 -6.904 -2.602 -7.954 1.00 9.12 C ATOM 495 CG GLN A 31 -8.304 -2.511 -8.635 1.00 10.76 C ATOM 496 CD GLN A 31 -8.464 -1.344 -9.577 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.370 -0.552 -9.425 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.629 -1.199 -10.632 1.00 14.76 N ATOM 0 H GLN A 31 -4.898 -2.942 -6.405 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.518 -3.953 -6.417 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.769 -1.724 -7.322 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.139 -2.558 -8.729 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.488 -3.434 -9.185 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -9.068 -2.444 -7.860 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.863 -1.858 -10.771 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.765 -0.430 -11.288 1.00 14.76 H new ATOM 507 N ASP A 32 -5.545 -5.449 -8.637 1.00 10.93 N ATOM 508 CA ASP A 32 -5.298 -6.677 -9.344 1.00 14.01 C ATOM 509 C ASP A 32 -5.305 -7.950 -8.411 1.00 14.04 C ATOM 510 O ASP A 32 -5.910 -8.953 -8.685 1.00 13.39 O ATOM 511 CB ASP A 32 -4.015 -6.484 -10.126 1.00 18.01 C ATOM 512 CG ASP A 32 -3.829 -7.548 -11.148 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.496 -7.567 -12.185 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.948 -8.428 -10.889 1.00 26.29 O ATOM 0 H ASP A 32 -4.773 -4.790 -8.736 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.115 -6.890 -10.034 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.029 -5.509 -10.614 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.167 -6.485 -9.441 1.00 18.01 H new ATOM 519 N LYS A 33 -4.656 -7.920 -7.235 1.00 14.22 N ATOM 520 CA LYS A 33 -4.818 -8.997 -6.270 1.00 14.00 C ATOM 521 C LYS A 33 -6.267 -9.225 -5.705 1.00 12.37 C ATOM 522 O LYS A 33 -6.844 -10.324 -5.730 1.00 12.17 O ATOM 523 CB LYS A 33 -3.892 -8.701 -5.050 1.00 18.62 C ATOM 524 CG LYS A 33 -2.443 -9.028 -5.373 1.00 24.00 C ATOM 525 CD LYS A 33 -1.857 -10.367 -5.074 1.00 27.61 C ATOM 526 CE LYS A 33 -0.425 -10.416 -5.624 1.00 27.64 C ATOM 527 NZ LYS A 33 0.138 -11.750 -5.501 1.00 30.06 N ATOM 0 H LYS A 33 -4.027 -7.172 -6.942 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.568 -9.903 -6.822 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.978 -7.651 -4.770 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.218 -9.287 -4.191 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.311 -8.857 -6.441 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.830 -8.292 -4.854 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.854 -10.546 -3.999 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.462 -11.153 -5.526 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.424 -10.113 -6.671 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.199 -9.703 -5.085 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.687 -11.975 -6.355 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.761 -11.789 -4.669 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.630 -12.442 -5.391 1.00 30.06 H new ATOM 541 N GLU A 34 -6.932 -8.142 -5.234 1.00 10.11 N ATOM 542 CA GLU A 34 -8.157 -8.206 -4.442 1.00 10.07 C ATOM 543 C GLU A 34 -9.386 -7.437 -4.933 1.00 9.32 C ATOM 544 O GLU A 34 -10.414 -7.557 -4.285 1.00 11.61 O ATOM 545 CB GLU A 34 -7.871 -7.522 -3.039 1.00 14.77 C ATOM 546 CG GLU A 34 -6.731 -8.154 -2.189 1.00 18.75 C ATOM 547 CD GLU A 34 -7.141 -9.548 -1.838 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.157 -9.768 -1.108 1.00 21.95 O ATOM 549 OE2 GLU A 34 -6.517 -10.527 -2.311 1.00 25.19 O ATOM 0 H GLU A 34 -6.615 -7.187 -5.404 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.392 -9.270 -4.465 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.629 -6.473 -3.212 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.789 -7.545 -2.452 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.796 -8.161 -2.749 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.558 -7.568 -1.286 1.00 18.75 H new ATOM 556 N GLY A 35 -9.364 -6.710 -6.042 1.00 7.22 N ATOM 557 CA GLY A 35 -10.554 -5.963 -6.570 1.00 6.29 C ATOM 558 C GLY A 35 -10.870 -4.599 -5.964 1.00 6.93 C ATOM 559 O GLY A 35 -11.931 -4.083 -6.261 1.00 7.41 O ATOM 0 H GLY A 35 -8.530 -6.606 -6.620 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.414 -5.828 -7.643 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.431 -6.597 -6.440 1.00 6.29 H new ATOM 563 N ILE A 36 -9.918 -4.089 -5.060 1.00 5.86 N ATOM 564 CA ILE A 36 -10.136 -2.811 -4.333 1.00 6.07 C ATOM 565 C ILE A 36 -9.635 -1.609 -5.151 1.00 6.36 C ATOM 566 O ILE A 36 -8.432 -1.430 -5.384 1.00 6.18 O ATOM 567 CB ILE A 36 -9.342 -2.830 -3.006 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.303 -4.208 -2.192 1.00 8.52 C ATOM 569 CG2 ILE A 36 -9.760 -1.660 -2.184 1.00 7.36 C ATOM 570 CD1 ILE A 36 -8.455 -4.132 -0.965 1.00 9.49 C ATOM 0 H ILE A 36 -9.033 -4.549 -4.846 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.207 -2.713 -4.156 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.291 -2.744 -3.282 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -10.318 -4.487 -1.910 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -8.925 -4.998 -2.841 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.208 -1.660 -1.244 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.550 -0.739 -2.728 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -10.828 -1.724 -1.977 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -8.467 -5.095 -0.454 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -7.432 -3.882 -1.245 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -8.847 -3.363 -0.299 1.00 9.49 H new ATOM 582 N PRO A 37 -10.470 -0.648 -5.523 1.00 8.65 N ATOM 583 CA PRO A 37 -10.097 0.631 -6.156 1.00 9.18 C ATOM 584 C PRO A 37 -8.953 1.351 -5.436 1.00 9.85 C ATOM 585 O PRO A 37 -9.075 1.451 -4.199 1.00 8.51 O ATOM 586 CB PRO A 37 -11.419 1.400 -6.184 1.00 11.42 C ATOM 587 CG PRO A 37 -12.536 0.364 -6.166 1.00 9.27 C ATOM 588 CD PRO A 37 -11.933 -0.772 -5.343 1.00 8.33 C ATOM 0 HA PRO A 37 -9.677 0.511 -7.155 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.496 2.066 -5.324 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.484 2.023 -7.076 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.444 0.757 -5.708 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.801 0.038 -7.172 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.209 -0.686 -4.292 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.291 -1.742 -5.689 1.00 8.33 H new ATOM 596 N PRO A 38 -7.902 1.888 -6.011 1.00 8.71 N ATOM 597 CA PRO A 38 -6.876 2.644 -5.299 1.00 9.08 C ATOM 598 C PRO A 38 -7.333 3.838 -4.501 1.00 9.28 C ATOM 599 O PRO A 38 -6.793 4.077 -3.429 1.00 6.50 O ATOM 600 CB PRO A 38 -5.861 3.010 -6.375 1.00 10.31 C ATOM 601 CG PRO A 38 -6.053 1.904 -7.492 1.00 10.81 C ATOM 602 CD PRO A 38 -7.529 1.650 -7.415 1.00 12.00 C ATOM 0 HA PRO A 38 -6.467 2.025 -4.500 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.044 4.009 -6.770 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.845 3.004 -5.981 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.749 2.259 -8.477 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.471 1.006 -7.284 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.076 2.315 -8.083 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.767 0.630 -7.716 1.00 12.00 H new ATOM 610 N ASP A 39 -8.400 4.532 -4.995 1.00 11.20 N ATOM 611 CA ASP A 39 -9.008 5.638 -4.168 1.00 14.96 C ATOM 612 C ASP A 39 -9.635 5.174 -2.871 1.00 13.99 C ATOM 613 O ASP A 39 -9.657 5.909 -1.900 1.00 13.75 O ATOM 614 CB ASP A 39 -10.100 6.326 -5.092 1.00 24.16 C ATOM 615 CG ASP A 39 -9.395 7.075 -6.161 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.655 8.076 -5.867 1.00 35.55 O ATOM 617 OD2 ASP A 39 -9.645 6.808 -7.379 1.00 34.22 O ATOM 0 H ASP A 39 -8.839 4.368 -5.901 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.218 6.323 -3.859 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.760 5.574 -5.526 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.726 6.999 -4.505 1.00 24.16 H new ATOM 622 N GLN A 40 -10.115 3.875 -2.792 1.00 11.60 N ATOM 623 CA GLN A 40 -10.635 3.270 -1.557 1.00 10.76 C ATOM 624 C GLN A 40 -9.498 2.950 -0.583 1.00 8.01 C ATOM 625 O GLN A 40 -9.783 2.751 0.596 1.00 8.96 O ATOM 626 CB GLN A 40 -11.555 2.012 -1.896 1.00 11.14 C ATOM 627 CG GLN A 40 -12.590 1.620 -0.715 1.00 14.85 C ATOM 628 CD GLN A 40 -13.298 0.277 -0.963 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.109 -0.765 -0.390 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.305 0.370 -1.918 1.00 18.16 N ATOM 0 H GLN A 40 -10.140 3.245 -3.594 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.273 3.990 -1.045 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.119 2.221 -2.805 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.917 1.154 -2.106 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -12.052 1.572 0.232 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.338 2.407 -0.618 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.467 1.252 -2.404 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.882 -0.444 -2.132 1.00 18.16 H new ATOM 639 N GLN A 41 -8.178 2.943 -1.011 1.00 6.52 N ATOM 640 CA GLN A 41 -7.125 2.419 -0.236 1.00 3.87 C ATOM 641 C GLN A 41 -6.321 3.511 0.442 1.00 4.79 C ATOM 642 O GLN A 41 -5.762 4.354 -0.287 1.00 6.34 O ATOM 643 CB GLN A 41 -6.083 1.698 -1.233 1.00 4.20 C ATOM 644 CG GLN A 41 -6.708 0.422 -1.846 1.00 3.20 C ATOM 645 CD GLN A 41 -5.664 -0.262 -2.689 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.473 -0.324 -2.370 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.017 -0.688 -3.910 1.00 7.13 N ATOM 0 H GLN A 41 -7.880 3.315 -1.913 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.567 1.755 0.507 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.796 2.387 -2.028 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.173 1.439 -0.692 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.056 -0.246 -1.058 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.576 0.679 -2.453 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -6.994 -0.649 -4.201 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.309 -1.051 -4.548 1.00 7.13 H new ATOM 656 N ARG A 42 -6.130 3.428 1.754 1.00 5.73 N ATOM 657 CA ARG A 42 -5.238 4.215 2.491 1.00 6.97 C ATOM 658 C ARG A 42 -4.189 3.368 3.185 1.00 7.15 C ATOM 659 O ARG A 42 -4.552 2.558 4.092 1.00 7.33 O ATOM 660 CB ARG A 42 -5.932 5.034 3.605 1.00 13.23 C ATOM 661 CG ARG A 42 -5.005 5.867 4.494 1.00 21.27 C ATOM 662 CD ARG A 42 -5.740 7.073 5.041 1.00 26.14 C ATOM 663 NE ARG A 42 -5.893 8.014 3.918 1.00 32.26 N ATOM 664 CZ ARG A 42 -6.982 8.765 3.658 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.088 8.718 4.349 1.00 35.30 N ATOM 666 NH2 ARG A 42 -6.892 9.649 2.637 1.00 36.39 N ATOM 0 H ARG A 42 -6.639 2.761 2.335 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.792 4.884 1.755 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.657 5.703 3.141 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.493 4.347 4.239 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.634 5.256 5.317 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.136 6.192 3.921 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.712 6.786 5.442 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.181 7.531 5.857 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.103 8.106 3.279 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.167 8.083 5.143 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -8.874 9.316 4.095 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -6.026 9.725 2.103 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -7.690 10.240 2.402 1.00 36.39 H new ATOM 680 N LEU A 43 -2.943 3.544 2.812 1.00 4.65 N ATOM 681 CA LEU A 43 -1.860 2.661 3.337 1.00 3.51 C ATOM 682 C LEU A 43 -1.065 3.344 4.398 1.00 5.56 C ATOM 683 O LEU A 43 -0.544 4.415 4.220 1.00 4.19 O ATOM 684 CB LEU A 43 -0.926 2.135 2.184 1.00 3.74 C ATOM 685 CG LEU A 43 -1.680 1.408 0.990 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.853 1.423 -0.272 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.114 0.048 1.411 1.00 6.41 C ATOM 0 H LEU A 43 -2.631 4.266 2.163 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.345 1.795 3.788 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.363 2.977 1.780 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.201 1.443 2.611 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.587 1.961 0.744 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.397 0.918 -1.070 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.655 2.454 -0.565 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.091 0.908 -0.094 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.630 -0.441 0.585 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.242 -0.541 1.694 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.789 0.129 2.263 1.00 6.41 H new ATOM 699 N ILE A 44 -1.047 2.681 5.590 1.00 4.58 N ATOM 700 CA ILE A 44 -0.464 3.275 6.762 1.00 5.55 C ATOM 701 C ILE A 44 0.768 2.478 7.138 1.00 5.46 C ATOM 702 O ILE A 44 0.727 1.270 7.284 1.00 6.04 O ATOM 703 CB ILE A 44 -1.360 3.328 8.042 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.601 4.178 7.798 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.572 3.693 9.353 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.625 4.296 8.878 1.00 13.90 C ATOM 0 H ILE A 44 -1.432 1.747 5.733 1.00 4.58 H new ATOM 0 HA ILE A 44 -0.275 4.309 6.475 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.709 2.314 8.237 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.266 5.186 7.552 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.101 3.783 6.913 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.260 3.710 10.198 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.203 2.947 9.531 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.112 4.675 9.240 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.440 4.936 8.539 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -4.016 3.307 9.118 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.168 4.731 9.767 1.00 13.90 H new ATOM 718 N PHE A 45 1.878 3.082 7.235 1.00 6.75 N ATOM 719 CA PHE A 45 3.158 2.409 7.638 1.00 4.70 C ATOM 720 C PHE A 45 4.131 3.387 8.239 1.00 6.34 C ATOM 721 O PHE A 45 4.406 4.462 7.707 1.00 5.45 O ATOM 722 CB PHE A 45 3.788 1.865 6.344 1.00 5.51 C ATOM 723 CG PHE A 45 5.125 1.169 6.591 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.185 -0.058 7.252 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.348 1.812 6.310 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.407 -0.640 7.515 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.621 1.243 6.549 1.00 6.64 C ATOM 728 CZ PHE A 45 7.568 0.001 7.159 1.00 6.84 C ATOM 0 H PHE A 45 1.985 4.078 7.045 1.00 6.75 H new ATOM 0 HA PHE A 45 2.947 1.635 8.376 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.098 1.163 5.875 1.00 5.51 H new ATOM 0 HB3 PHE A 45 3.934 2.686 5.642 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.275 -0.552 7.558 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.310 2.804 5.884 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.451 -1.603 8.002 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.546 1.731 6.281 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.503 -0.497 7.369 1.00 6.84 H new ATOM 738 N ALA A 46 4.661 2.976 9.369 1.00 6.53 N ATOM 739 CA ALA A 46 5.561 3.718 10.221 1.00 7.15 C ATOM 740 C ALA A 46 5.171 5.222 10.423 1.00 9.00 C ATOM 741 O ALA A 46 5.931 6.139 10.100 1.00 11.15 O ATOM 742 CB ALA A 46 7.036 3.567 9.897 1.00 8.99 C ATOM 0 H ALA A 46 4.460 2.048 9.742 1.00 6.53 H new ATOM 0 HA ALA A 46 5.419 3.224 11.182 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.625 4.163 10.594 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.322 2.519 9.985 1.00 8.99 H new ATOM 0 HB3 ALA A 46 7.222 3.910 8.879 1.00 8.99 H new ATOM 748 N GLY A 47 4.032 5.473 11.131 1.00 9.35 N ATOM 749 CA GLY A 47 3.661 6.838 11.561 1.00 11.68 C ATOM 750 C GLY A 47 3.001 7.603 10.474 1.00 11.14 C ATOM 751 O GLY A 47 2.414 8.666 10.716 1.00 13.93 O ATOM 0 H GLY A 47 3.367 4.751 11.409 1.00 9.35 H new ATOM 0 HA2 GLY A 47 2.993 6.778 12.420 1.00 11.68 H new ATOM 0 HA3 GLY A 47 4.554 7.370 11.888 1.00 11.68 H new ATOM 755 N LYS A 48 3.214 7.218 9.192 1.00 10.47 N ATOM 756 CA LYS A 48 2.766 8.029 8.076 1.00 8.82 C ATOM 757 C LYS A 48 1.721 7.371 7.225 1.00 7.68 C ATOM 758 O LYS A 48 1.552 6.134 7.191 1.00 6.47 O ATOM 759 CB LYS A 48 3.827 8.464 7.153 1.00 9.74 C ATOM 760 CG LYS A 48 5.048 9.070 7.908 1.00 14.14 C ATOM 761 CD LYS A 48 5.975 9.720 6.851 1.00 16.32 C ATOM 762 CE LYS A 48 7.273 10.238 7.389 1.00 20.04 C ATOM 763 NZ LYS A 48 8.053 10.921 6.370 1.00 23.92 N ATOM 0 H LYS A 48 3.690 6.356 8.925 1.00 10.47 H new ATOM 0 HA LYS A 48 2.356 8.893 8.599 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.157 7.615 6.554 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.425 9.205 6.462 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.719 9.811 8.636 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.580 8.295 8.460 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.187 8.986 6.073 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.440 10.543 6.376 1.00 16.32 H new ATOM 0 HE2 LYS A 48 7.076 10.923 8.214 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.853 9.409 7.795 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.943 11.263 6.785 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.264 10.261 5.594 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.511 11.728 6.000 1.00 23.92 H new ATOM 777 N GLN A 49 0.895 8.161 6.519 1.00 8.89 N ATOM 778 CA GLN A 49 -0.134 7.696 5.583 1.00 7.18 C ATOM 779 C GLN A 49 0.434 7.969 4.189 1.00 8.23 C ATOM 780 O GLN A 49 0.700 9.149 3.851 1.00 9.70 O ATOM 781 CB GLN A 49 -1.550 8.341 5.747 1.00 11.67 C ATOM 782 CG GLN A 49 -2.031 8.264 7.257 1.00 15.82 C ATOM 783 CD GLN A 49 -1.428 9.389 8.101 1.00 20.21 C ATOM 784 OE1 GLN A 49 -1.736 10.522 7.844 1.00 23.23 O ATOM 785 NE2 GLN A 49 -0.815 9.045 9.268 1.00 20.67 N ATOM 0 H GLN A 49 0.929 9.178 6.589 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.329 6.642 5.778 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.521 9.381 5.422 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -2.266 7.827 5.106 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -3.119 8.323 7.296 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.749 7.300 7.680 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -0.570 8.071 9.448 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -0.601 9.761 9.962 1.00 20.67 H new ATOM 794 N LEU A 50 0.769 6.962 3.404 1.00 6.51 N ATOM 795 CA LEU A 50 1.551 7.026 2.219 1.00 7.41 C ATOM 796 C LEU A 50 0.880 7.786 1.027 1.00 8.27 C ATOM 797 O LEU A 50 -0.352 7.720 0.864 1.00 8.34 O ATOM 798 CB LEU A 50 1.915 5.575 1.815 1.00 7.13 C ATOM 799 CG LEU A 50 2.518 4.691 2.965 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.883 3.282 2.438 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.709 5.289 3.733 1.00 9.11 C ATOM 0 H LEU A 50 0.469 6.009 3.610 1.00 6.51 H new ATOM 0 HA LEU A 50 2.439 7.617 2.444 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.019 5.085 1.434 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.631 5.612 0.994 1.00 7.13 H new ATOM 0 HG LEU A 50 1.715 4.638 3.700 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.299 2.686 3.250 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.988 2.795 2.052 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.620 3.372 1.640 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.037 4.587 4.500 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.529 5.480 3.041 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.406 6.225 4.203 1.00 9.11 H new ATOM 813 N GLU A 51 1.703 8.616 0.398 1.00 9.43 N ATOM 814 CA GLU A 51 1.191 9.402 -0.655 1.00 11.90 C ATOM 815 C GLU A 51 1.500 8.880 -2.107 1.00 11.49 C ATOM 816 O GLU A 51 2.567 8.422 -2.336 1.00 9.88 O ATOM 817 CB GLU A 51 1.754 10.910 -0.507 1.00 16.56 C ATOM 818 CG GLU A 51 1.049 11.934 -1.425 1.00 26.06 C ATOM 819 CD GLU A 51 1.684 13.278 -1.207 1.00 29.86 C ATOM 820 OE1 GLU A 51 1.325 13.876 -0.197 1.00 33.44 O ATOM 821 OE2 GLU A 51 2.524 13.784 -2.018 1.00 32.13 O ATOM 0 H GLU A 51 2.693 8.743 0.608 1.00 9.43 H new ATOM 0 HA GLU A 51 0.107 9.350 -0.554 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.643 11.229 0.529 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.821 10.912 -0.729 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.142 11.635 -2.469 1.00 26.06 H new ATOM 0 HG3 GLU A 51 -0.016 11.976 -1.199 1.00 26.06 H new ATOM 828 N ASP A 52 0.471 8.841 -3.028 1.00 12.71 N ATOM 829 CA ASP A 52 0.261 8.279 -4.357 1.00 16.56 C ATOM 830 C ASP A 52 1.544 8.336 -5.137 1.00 15.83 C ATOM 831 O ASP A 52 2.015 7.311 -5.622 1.00 17.21 O ATOM 832 CB ASP A 52 -0.904 9.022 -5.128 1.00 21.05 C ATOM 833 CG ASP A 52 -2.221 9.083 -4.365 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.221 9.657 -3.239 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.242 8.745 -4.926 1.00 28.37 O ATOM 0 H ASP A 52 -0.392 9.314 -2.759 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.044 7.238 -4.246 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.582 10.038 -5.356 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.072 8.519 -6.080 1.00 21.05 H new ATOM 840 N GLY A 53 2.135 9.520 -5.230 1.00 15.00 N ATOM 841 CA GLY A 53 3.202 9.853 -6.224 1.00 11.77 C ATOM 842 C GLY A 53 4.601 9.475 -5.669 1.00 11.10 C ATOM 843 O GLY A 53 5.606 9.427 -6.410 1.00 11.25 O ATOM 0 H GLY A 53 1.899 10.301 -4.618 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.018 9.319 -7.156 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.172 10.918 -6.455 1.00 11.77 H new ATOM 847 N ARG A 54 4.723 9.197 -4.399 1.00 8.53 N ATOM 848 CA ARG A 54 5.895 8.856 -3.661 1.00 9.05 C ATOM 849 C ARG A 54 6.280 7.413 -3.889 1.00 8.96 C ATOM 850 O ARG A 54 5.445 6.659 -4.432 1.00 11.60 O ATOM 851 CB ARG A 54 5.834 9.038 -2.153 1.00 7.97 C ATOM 852 CG ARG A 54 5.744 10.561 -1.792 1.00 9.62 C ATOM 853 CD ARG A 54 7.002 11.372 -2.121 1.00 12.20 C ATOM 854 NE ARG A 54 6.828 12.766 -1.615 1.00 18.23 N ATOM 855 CZ ARG A 54 7.825 13.473 -1.031 1.00 22.08 C ATOM 856 NH1 ARG A 54 9.033 12.977 -0.795 1.00 25.50 N ATOM 857 NH2 ARG A 54 7.579 14.721 -0.648 1.00 23.38 N ATOM 0 H ARG A 54 3.903 9.207 -3.793 1.00 8.53 H new ATOM 0 HA ARG A 54 6.622 9.570 -4.049 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.969 8.510 -1.751 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.718 8.599 -1.691 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.898 10.997 -2.323 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.535 10.656 -0.726 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.877 10.912 -1.663 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.173 11.381 -3.197 1.00 12.20 H new ATOM 0 HE ARG A 54 5.914 13.207 -1.714 1.00 18.23 H new ATOM 0 HH11 ARG A 54 9.250 12.015 -1.057 1.00 25.50 H new ATOM 0 HH12 ARG A 54 9.745 13.557 -0.352 1.00 25.50 H new ATOM 0 HH21 ARG A 54 6.655 15.127 -0.796 1.00 23.38 H new ATOM 0 HH22 ARG A 54 8.314 15.273 -0.206 1.00 23.38 H new ATOM 871 N THR A 55 7.542 7.108 -3.681 1.00 9.05 N ATOM 872 CA THR A 55 8.032 5.736 -3.926 1.00 9.03 C ATOM 873 C THR A 55 8.278 5.053 -2.592 1.00 8.15 C ATOM 874 O THR A 55 8.550 5.623 -1.554 1.00 5.91 O ATOM 875 CB THR A 55 9.301 5.606 -4.801 1.00 11.15 C ATOM 876 OG1 THR A 55 10.412 6.391 -4.361 1.00 11.95 O ATOM 877 CG2 THR A 55 8.887 6.155 -6.208 1.00 11.71 C ATOM 0 H THR A 55 8.249 7.765 -3.350 1.00 9.05 H new ATOM 0 HA THR A 55 7.243 5.257 -4.506 1.00 9.03 H new ATOM 0 HB THR A 55 9.626 4.566 -4.775 1.00 11.15 H new ATOM 0 HG1 THR A 55 11.171 6.251 -4.965 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.738 6.095 -6.887 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.065 5.559 -6.604 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.570 7.194 -6.114 1.00 11.71 H new ATOM 885 N LEU A 56 8.272 3.733 -2.714 1.00 6.91 N ATOM 886 CA LEU A 56 8.678 2.806 -1.674 1.00 8.29 C ATOM 887 C LEU A 56 9.993 3.147 -1.045 1.00 8.05 C ATOM 888 O LEU A 56 10.128 3.281 0.140 1.00 10.17 O ATOM 889 CB LEU A 56 8.760 1.385 -2.187 1.00 6.60 C ATOM 890 CG LEU A 56 7.347 0.886 -2.551 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.451 -0.630 -3.003 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.374 0.844 -1.331 1.00 8.64 C ATOM 0 H LEU A 56 7.974 3.265 -3.570 1.00 6.91 H new ATOM 0 HA LEU A 56 7.899 2.893 -0.916 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.409 1.340 -3.061 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.201 0.738 -1.429 1.00 6.60 H new ATOM 0 HG LEU A 56 6.974 1.571 -3.312 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.460 -1.000 -3.265 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.108 -0.707 -3.870 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.857 -1.226 -2.186 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.398 0.484 -1.656 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.773 0.173 -0.570 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.271 1.845 -0.913 1.00 8.64 H new ATOM 904 N SER A 57 11.129 3.414 -1.793 1.00 8.92 N ATOM 905 CA SER A 57 12.398 3.933 -1.186 1.00 9.00 C ATOM 906 C SER A 57 12.351 5.381 -0.537 1.00 9.44 C ATOM 907 O SER A 57 13.035 5.604 0.459 1.00 10.91 O ATOM 908 CB SER A 57 13.571 3.920 -2.193 1.00 10.32 C ATOM 909 OG SER A 57 13.199 4.441 -3.447 1.00 13.59 O ATOM 0 H SER A 57 11.181 3.277 -2.802 1.00 8.92 H new ATOM 0 HA SER A 57 12.546 3.228 -0.368 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.400 4.502 -1.791 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.930 2.898 -2.318 1.00 10.32 H new ATOM 0 HG SER A 57 12.650 3.784 -3.924 1.00 13.59 H new ATOM 915 N ASP A 58 11.458 6.316 -0.978 1.00 9.11 N ATOM 916 CA ASP A 58 11.250 7.549 -0.280 1.00 7.91 C ATOM 917 C ASP A 58 10.634 7.381 1.133 1.00 9.12 C ATOM 918 O ASP A 58 10.850 8.136 2.074 1.00 8.61 O ATOM 919 CB ASP A 58 10.359 8.531 -1.148 1.00 8.41 C ATOM 920 CG ASP A 58 10.648 9.902 -0.654 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.844 10.408 -0.791 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.779 10.465 -0.020 1.00 11.70 O ATOM 0 H ASP A 58 10.888 6.206 -1.817 1.00 9.11 H new ATOM 0 HA ASP A 58 12.242 7.975 -0.129 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.600 8.441 -2.207 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.301 8.294 -1.040 1.00 8.41 H new ATOM 927 N TYR A 59 9.986 6.225 1.409 1.00 7.97 N ATOM 928 CA TYR A 59 9.458 5.844 2.680 1.00 8.45 C ATOM 929 C TYR A 59 10.383 4.839 3.441 1.00 10.98 C ATOM 930 O TYR A 59 10.024 4.394 4.523 1.00 12.95 O ATOM 931 CB TYR A 59 8.051 5.247 2.652 1.00 7.94 C ATOM 932 CG TYR A 59 7.031 6.318 2.384 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.697 7.266 3.308 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.320 6.247 1.144 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.782 8.308 2.993 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.307 7.238 0.842 1.00 6.52 C ATOM 937 CZ TYR A 59 5.130 8.297 1.775 1.00 6.76 C ATOM 938 OH TYR A 59 4.225 9.318 1.443 1.00 7.63 O ATOM 0 H TYR A 59 9.825 5.516 0.693 1.00 7.97 H new ATOM 0 HA TYR A 59 9.407 6.798 3.205 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.991 4.478 1.882 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.836 4.762 3.604 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.135 7.224 4.294 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.537 5.459 0.438 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.598 9.103 3.701 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.710 7.175 -0.056 1.00 6.52 H new ATOM 0 HH TYR A 59 4.715 10.154 1.295 1.00 7.63 H new ATOM 948 N ASN A 60 11.600 4.484 2.898 1.00 12.38 N ATOM 949 CA ASN A 60 12.546 3.529 3.387 1.00 13.94 C ATOM 950 C ASN A 60 11.965 2.084 3.598 1.00 14.16 C ATOM 951 O ASN A 60 12.221 1.390 4.586 1.00 14.26 O ATOM 952 CB ASN A 60 13.261 3.981 4.668 1.00 19.23 C ATOM 953 CG ASN A 60 13.888 5.327 4.387 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.426 6.305 4.945 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.973 5.384 3.554 1.00 24.09 N ATOM 0 H ASN A 60 11.929 4.921 2.037 1.00 12.38 H new ATOM 0 HA ASN A 60 13.275 3.474 2.579 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.556 4.052 5.496 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.022 3.257 4.958 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.433 6.277 3.377 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.321 4.534 3.111 1.00 24.09 H new ATOM 962 N ILE A 61 11.091 1.601 2.685 1.00 11.08 N ATOM 963 CA ILE A 61 10.438 0.361 2.997 1.00 11.78 C ATOM 964 C ILE A 61 11.362 -0.778 2.487 1.00 13.74 C ATOM 965 O ILE A 61 11.572 -0.947 1.280 1.00 14.60 O ATOM 966 CB ILE A 61 9.065 0.290 2.335 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.131 1.456 2.873 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.424 -1.108 2.578 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.996 1.881 1.896 1.00 11.42 C ATOM 0 H ILE A 61 10.849 2.033 1.793 1.00 11.08 H new ATOM 0 HA ILE A 61 10.274 0.269 4.071 1.00 11.78 H new ATOM 0 HB ILE A 61 9.181 0.425 1.260 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.682 1.139 3.814 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.749 2.327 3.092 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.445 -1.147 2.101 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.065 -1.881 2.154 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.313 -1.276 3.649 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.409 2.682 2.346 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.433 2.233 0.961 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.350 1.026 1.695 1.00 11.42 H new ATOM 981 N GLN A 62 11.773 -1.638 3.433 1.00 13.97 N ATOM 982 CA GLN A 62 12.583 -2.767 3.164 1.00 15.52 C ATOM 983 C GLN A 62 11.747 -4.007 2.942 1.00 13.94 C ATOM 984 O GLN A 62 10.566 -4.069 3.056 1.00 12.15 O ATOM 985 CB GLN A 62 13.444 -3.012 4.411 1.00 19.53 C ATOM 986 CG GLN A 62 14.299 -1.812 4.803 1.00 26.38 C ATOM 987 CD GLN A 62 15.368 -1.325 3.831 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.585 -1.650 3.855 1.00 33.23 O ATOM 989 NE2 GLN A 62 14.962 -0.478 2.865 1.00 32.71 N ATOM 0 H GLN A 62 11.529 -1.538 4.418 1.00 13.97 H new ATOM 0 HA GLN A 62 13.174 -2.576 2.268 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.794 -3.274 5.246 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.094 -3.869 4.232 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.626 -0.977 5.000 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.793 -2.052 5.745 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.984 -0.193 2.815 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.633 -0.122 2.184 1.00 32.71 H new ATOM 998 N LYS A 63 12.436 -5.168 2.627 1.00 11.73 N ATOM 999 CA LYS A 63 11.824 -6.453 2.448 1.00 11.97 C ATOM 1000 C LYS A 63 11.065 -7.058 3.702 1.00 10.41 C ATOM 1001 O LYS A 63 11.519 -6.817 4.820 1.00 9.59 O ATOM 1002 CB LYS A 63 12.690 -7.510 1.803 1.00 13.73 C ATOM 1003 CG LYS A 63 13.811 -8.099 2.646 1.00 16.98 C ATOM 1004 CD LYS A 63 14.703 -9.062 1.821 1.00 20.19 C ATOM 1005 CE LYS A 63 15.976 -9.623 2.604 1.00 23.42 C ATOM 1006 NZ LYS A 63 15.397 -10.572 3.582 1.00 25.97 N ATOM 0 H LYS A 63 13.448 -5.186 2.498 1.00 11.73 H new ATOM 0 HA LYS A 63 11.054 -6.179 1.726 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.044 -8.327 1.482 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.133 -7.082 0.904 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.423 -7.293 3.052 1.00 16.98 H new ATOM 0 HG3 LYS A 63 13.385 -8.634 3.495 1.00 16.98 H new ATOM 0 HD2 LYS A 63 14.096 -9.905 1.490 1.00 20.19 H new ATOM 0 HD3 LYS A 63 15.044 -8.543 0.925 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.674 -10.119 1.930 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.526 -8.823 3.100 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.653 -10.276 4.546 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.361 -10.581 3.486 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 15.770 -11.526 3.402 1.00 25.97 H new ATOM 1020 N GLU A 64 9.928 -7.753 3.485 1.00 10.04 N ATOM 1021 CA GLU A 64 9.220 -8.530 4.490 1.00 10.94 C ATOM 1022 C GLU A 64 8.601 -7.612 5.496 1.00 9.74 C ATOM 1023 O GLU A 64 7.965 -8.084 6.419 1.00 9.42 O ATOM 1024 CB GLU A 64 10.050 -9.607 5.288 1.00 18.31 C ATOM 1025 CG GLU A 64 10.551 -10.684 4.264 1.00 24.16 C ATOM 1026 CD GLU A 64 11.416 -11.775 4.889 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.110 -11.459 5.885 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.535 -12.883 4.245 1.00 31.72 O ATOM 0 H GLU A 64 9.474 -7.781 2.572 1.00 10.04 H new ATOM 0 HA GLU A 64 8.495 -9.092 3.901 1.00 10.94 H new ATOM 0 HB2 GLU A 64 10.895 -9.140 5.794 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.433 -10.070 6.058 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.687 -11.147 3.787 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.121 -10.187 3.479 1.00 24.16 H new ATOM 1035 N SER A 65 8.622 -6.234 5.259 1.00 6.85 N ATOM 1036 CA SER A 65 7.789 -5.274 5.961 1.00 6.90 C ATOM 1037 C SER A 65 6.340 -5.454 5.819 1.00 4.72 C ATOM 1038 O SER A 65 5.848 -5.882 4.780 1.00 3.91 O ATOM 1039 CB SER A 65 7.990 -3.811 5.498 1.00 7.28 C ATOM 1040 OG SER A 65 9.373 -3.450 5.404 1.00 10.56 O ATOM 0 H SER A 65 9.234 -5.804 4.566 1.00 6.85 H new ATOM 0 HA SER A 65 8.119 -5.462 6.983 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.515 -3.672 4.527 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.490 -3.140 6.196 1.00 7.28 H new ATOM 0 HG SER A 65 9.725 -3.726 4.532 1.00 10.56 H new ATOM 1046 N THR A 66 5.571 -5.057 6.906 1.00 4.48 N ATOM 1047 CA THR A 66 4.136 -5.231 6.832 1.00 3.80 C ATOM 1048 C THR A 66 3.586 -3.829 6.767 1.00 4.60 C ATOM 1049 O THR A 66 3.639 -3.017 7.681 1.00 5.33 O ATOM 1050 CB THR A 66 3.511 -5.912 8.082 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.102 -7.228 8.213 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.015 -6.104 7.821 1.00 3.40 C ATOM 0 H THR A 66 5.928 -4.646 7.769 1.00 4.48 H new ATOM 0 HA THR A 66 3.901 -5.872 5.982 1.00 3.80 H new ATOM 0 HB THR A 66 3.680 -5.310 8.975 1.00 2.85 H new ATOM 0 HG1 THR A 66 3.725 -7.679 8.997 1.00 2.15 H new ATOM 0 HG21 THR A 66 1.553 -6.581 8.685 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.548 -5.134 7.649 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.877 -6.734 6.942 1.00 3.40 H new ATOM 1060 N LEU A 67 2.891 -3.550 5.678 1.00 4.17 N ATOM 1061 CA LEU A 67 2.198 -2.299 5.431 1.00 3.85 C ATOM 1062 C LEU A 67 0.736 -2.569 5.810 1.00 3.80 C ATOM 1063 O LEU A 67 0.121 -3.579 5.420 1.00 5.54 O ATOM 1064 CB LEU A 67 2.214 -1.966 3.911 1.00 7.18 C ATOM 1065 CG LEU A 67 3.564 -1.463 3.440 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.725 -2.450 3.407 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.419 -0.653 2.142 1.00 11.66 C ATOM 0 H LEU A 67 2.790 -4.216 4.912 1.00 4.17 H new ATOM 0 HA LEU A 67 2.659 -1.482 5.986 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.944 -2.857 3.344 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.455 -1.212 3.700 1.00 7.18 H new ATOM 0 HG LEU A 67 3.888 -0.806 4.247 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.622 -1.945 3.049 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.902 -2.837 4.410 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.482 -3.275 2.738 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.400 -0.301 1.821 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.988 -1.285 1.365 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.766 0.202 2.318 1.00 11.66 H new ATOM 1079 N HIS A 68 0.119 -1.585 6.484 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.256 -1.698 6.967 1.00 4.17 C ATOM 1081 C HIS A 68 -2.216 -1.064 5.978 1.00 5.32 C ATOM 1082 O HIS A 68 -1.916 -0.090 5.348 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.452 -1.016 8.385 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.475 -1.475 9.326 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.776 -0.959 9.359 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.470 -2.516 10.186 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.492 -1.664 10.252 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.800 -2.594 10.791 1.00 16.30 N ATOM 0 H HIS A 68 0.562 -0.694 6.706 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.468 -2.762 7.068 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.380 0.067 8.283 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.452 -1.235 8.760 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.116 -0.174 8.804 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.301 -3.178 10.378 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.528 -1.468 10.486 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.432 -1.668 5.861 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.386 -1.292 4.888 1.00 3.97 C ATOM 1098 C LEU A 69 -5.655 -0.716 5.530 1.00 5.07 C ATOM 1099 O LEU A 69 -6.173 -1.391 6.425 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.849 -2.376 3.919 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.804 -2.034 2.767 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.589 -0.719 1.983 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.983 -3.303 1.936 1.00 9.96 C ATOM 0 H LEU A 69 -3.739 -2.431 6.465 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.828 -0.556 4.310 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.955 -2.815 3.476 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.327 -3.156 4.512 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.754 -1.735 3.210 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.348 -0.631 1.205 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.668 0.128 2.665 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.600 -0.726 1.526 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.658 -3.101 1.104 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.016 -3.624 1.549 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.403 -4.091 2.561 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.058 0.491 5.156 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.334 1.129 5.601 1.00 6.26 C ATOM 1117 C VAL A 70 -8.166 1.499 4.462 1.00 9.22 C ATOM 1118 O VAL A 70 -7.695 2.120 3.493 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.040 2.395 6.383 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -8.313 2.972 6.963 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.124 2.162 7.555 1.00 8.54 C ATOM 0 H VAL A 70 -5.514 1.080 4.526 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.859 0.402 6.220 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.568 3.068 5.668 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -8.080 3.880 7.520 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -9.006 3.209 6.156 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.771 2.243 7.632 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.951 3.104 8.075 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.583 1.449 8.240 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -5.173 1.764 7.200 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.430 1.056 4.492 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.381 1.523 3.510 1.00 16.06 C ATOM 1133 C LEU A 71 -11.039 2.859 3.932 1.00 18.09 C ATOM 1134 O LEU A 71 -11.590 2.952 5.029 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.441 0.383 3.367 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.816 -0.959 2.838 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.843 -2.074 2.628 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.959 -0.741 1.564 1.00 19.57 C ATOM 0 H LEU A 71 -9.799 0.392 5.173 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.890 1.732 2.560 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.910 0.205 4.334 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.228 0.707 2.686 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.155 -1.299 3.635 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.339 -2.969 2.262 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.337 -2.297 3.574 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.586 -1.752 1.898 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -9.548 -1.695 1.235 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -10.582 -0.322 0.774 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.144 -0.052 1.787 1.00 19.57 H new ATOM 1150 N ARG A 72 -11.015 3.876 3.012 1.00 21.47 N ATOM 1151 CA ARG A 72 -11.434 5.233 3.224 1.00 25.83 C ATOM 1152 C ARG A 72 -12.689 5.666 2.468 1.00 27.74 C ATOM 1153 O ARG A 72 -13.061 5.044 1.467 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.321 6.192 2.848 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.753 6.036 1.437 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.642 7.058 1.073 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.305 8.374 0.947 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.324 9.136 -0.161 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -9.249 8.532 -1.366 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.528 10.454 -0.082 1.00 35.02 N ATOM 0 H ARG A 72 -10.678 3.724 2.061 1.00 21.47 H new ATOM 0 HA ARG A 72 -11.678 5.268 4.286 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -10.693 7.211 2.959 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.506 6.071 3.562 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -9.351 5.028 1.330 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -10.567 6.132 0.719 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.872 7.084 1.844 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.151 6.781 0.140 1.00 34.05 H new ATOM 0 HE ARG A 72 -9.789 8.734 1.770 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -9.180 7.516 -1.424 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -9.262 9.092 -2.219 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.672 10.894 0.827 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -9.540 11.020 -0.930 1.00 35.02 H new ATOM 1174 N LEU A 73 -13.331 6.752 2.906 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.301 7.480 2.124 1.00 30.76 C ATOM 1176 C LEU A 73 -13.529 8.585 1.381 1.00 32.18 C ATOM 1177 O LEU A 73 -12.411 8.982 1.782 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.265 8.166 3.119 1.00 30.53 C ATOM 1179 CG LEU A 73 -16.161 7.207 3.995 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.647 7.911 5.351 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -17.282 6.551 3.153 1.00 29.11 C ATOM 0 H LEU A 73 -13.179 7.148 3.834 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.842 6.834 1.433 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.677 8.792 3.790 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -15.922 8.830 2.557 1.00 30.53 H new ATOM 0 HG LEU A 73 -15.546 6.373 4.334 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -17.261 7.215 5.923 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.778 8.199 5.943 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.233 8.798 5.111 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -17.879 5.897 3.789 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -17.920 7.327 2.729 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -16.837 5.967 2.347 1.00 29.11 H new ATOM 1193 N ARG A 74 -14.092 9.078 0.282 1.00 33.82 N ATOM 1194 CA ARG A 74 -13.240 9.804 -0.661 1.00 35.33 C ATOM 1195 C ARG A 74 -13.174 11.258 -0.503 1.00 36.22 C ATOM 1196 O ARG A 74 -12.582 12.007 -1.249 1.00 36.70 O ATOM 1197 CB ARG A 74 -13.589 9.415 -2.101 1.00 36.91 C ATOM 1198 CG ARG A 74 -13.560 7.883 -2.277 1.00 38.62 C ATOM 1199 CD ARG A 74 -13.937 7.437 -3.721 1.00 39.75 C ATOM 1200 NE ARG A 74 -13.753 5.944 -3.834 1.00 41.13 N ATOM 1201 CZ ARG A 74 -13.561 5.273 -4.981 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -13.345 5.808 -6.178 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -13.668 3.950 -4.868 1.00 41.93 N ATOM 0 H ARG A 74 -15.077 8.998 0.028 1.00 33.82 H new ATOM 0 HA ARG A 74 -12.229 9.482 -0.413 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -14.578 9.796 -2.356 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -12.882 9.878 -2.789 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -12.564 7.512 -2.035 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -14.251 7.427 -1.568 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -14.970 7.707 -3.942 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -13.310 7.950 -4.450 1.00 39.75 H new ATOM 0 HE ARG A 74 -13.776 5.401 -2.971 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -13.313 6.822 -6.285 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -13.211 5.205 -6.990 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -13.880 3.531 -3.962 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -13.538 3.356 -5.687 1.00 41.93 H new ATOM 1217 N GLY A 75 -13.878 11.763 0.569 1.00 36.31 N ATOM 1218 CA GLY A 75 -13.834 13.158 1.038 1.00 36.07 C ATOM 1219 C GLY A 75 -12.632 13.422 1.806 1.00 36.16 C ATOM 1220 O GLY A 75 -12.192 14.576 1.940 1.00 36.26 O ATOM 0 H GLY A 75 -14.500 11.181 1.130 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -13.876 13.832 0.183 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -14.711 13.365 1.651 1.00 36.07 H new ATOM 1224 N GLY A 76 -11.948 12.308 2.336 1.00 36.05 N ATOM 1225 CA GLY A 76 -10.743 12.397 3.189 1.00 36.19 C ATOM 1226 C GLY A 76 -9.681 11.353 2.767 1.00 36.20 C ATOM 1227 O GLY A 76 -8.652 11.672 2.142 1.00 0.00 O ATOM 1228 OXT GLY A 76 -9.967 10.140 2.977 1.00 0.00 O ATOM 0 H GLY A 76 -12.246 11.348 2.162 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -10.319 13.399 3.121 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -11.019 12.238 4.231 1.00 36.19 H new TER 1232 GLY A 76