USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 LYS NZ :NH3+ 173:sc= 0.306 (180deg=0) USER MOD Set 1.2: A 12 THR OG1 : rot 170:sc= 0.293 USER MOD Single : A 1 MET CE :methyl -162:sc= 0 (180deg=-0.159) USER MOD Single : A 1 MET N :NH3+ -171:sc= 2.47 (180deg=2.44) USER MOD Single : A 2 GLN : amide:sc= -0.505 K(o=-0.5,f=-1.4) USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.0538 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0149 USER MOD Single : A 11 LYS NZ :NH3+ -174:sc= 0.761 (180deg=0.721) 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= 0.00199 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 161:sc= 1.13 (180deg=1) USER MOD Single : A 29 LYS NZ :NH3+ 152:sc= 1.31 (180deg=0.0698) USER MOD Single : A 31 GLN : amide:sc= -0.305 X(o=-0.31,f=-0.43) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 41 GLN : amide:sc= 0.64 K(o=0.64,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.239 K(o=-0.24,f=-0.94) USER MOD Single : A 55 THR OG1 : rot -51:sc= 1.18 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.716 USER MOD Single : A 60 ASN : amide:sc= -0.0416 X(o=-0.042,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 63 LYS NZ :NH3+ 143:sc= 1.22 (180deg=0.73) USER MOD Single : A 65 SER OG : rot -157:sc= 0.12 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.139 -8.015 -4.948 1.00 9.67 N ATOM 2 CA MET A 1 11.231 -8.208 -3.460 1.00 10.38 C ATOM 3 C MET A 1 9.875 -8.368 -2.756 1.00 9.62 C ATOM 4 O MET A 1 8.867 -7.767 -3.180 1.00 9.62 O ATOM 5 CB MET A 1 12.040 -7.130 -2.647 1.00 13.77 C ATOM 6 CG MET A 1 11.436 -5.711 -2.731 1.00 16.29 C ATOM 7 SD MET A 1 11.991 -4.654 -1.334 1.00 17.17 S ATOM 8 CE MET A 1 10.922 -3.269 -1.237 1.00 16.11 C ATOM 0 H1 MET A 1 12.091 -8.068 -5.364 1.00 9.67 H new ATOM 0 H2 MET A 1 10.540 -8.759 -5.358 1.00 9.67 H new ATOM 0 H3 MET A 1 10.723 -7.084 -5.152 1.00 9.67 H new ATOM 0 HA MET A 1 11.796 -9.140 -3.440 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.086 -7.435 -1.602 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.065 -7.102 -3.017 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.724 -5.248 -3.675 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.348 -5.778 -2.727 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.397 -2.483 -0.650 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.716 -2.898 -2.241 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.987 -3.564 -0.760 1.00 16.11 H new ATOM 20 N GLN A 2 9.800 -9.101 -1.635 1.00 9.27 N ATOM 21 CA GLN A 2 8.565 -9.387 -0.964 1.00 9.07 C ATOM 22 C GLN A 2 8.335 -8.441 0.207 1.00 8.72 C ATOM 23 O GLN A 2 9.165 -8.244 1.099 1.00 8.22 O ATOM 24 CB GLN A 2 8.571 -10.879 -0.520 1.00 14.46 C ATOM 25 CG GLN A 2 8.593 -11.920 -1.637 1.00 17.01 C ATOM 26 CD GLN A 2 8.508 -13.290 -0.941 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.495 -13.957 -1.003 1.00 21.89 O ATOM 28 NE2 GLN A 2 9.563 -13.665 -0.306 1.00 19.49 N ATOM 0 H GLN A 2 10.617 -9.508 -1.179 1.00 9.27 H new ATOM 0 HA GLN A 2 7.732 -9.226 -1.648 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.441 -11.042 0.116 1.00 14.46 H new ATOM 0 HB3 GLN A 2 7.688 -11.056 0.095 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.756 -11.777 -2.320 1.00 17.01 H new ATOM 0 HG3 GLN A 2 9.505 -11.839 -2.228 1.00 17.01 H new ATOM 0 HE21 GLN A 2 10.387 -13.064 -0.287 1.00 19.49 H new ATOM 0 HE22 GLN A 2 9.575 -14.563 0.178 1.00 19.49 H new ATOM 37 N ILE A 3 7.072 -7.915 0.347 1.00 5.87 N ATOM 38 CA ILE A 3 6.537 -7.135 1.437 1.00 5.07 C ATOM 39 C ILE A 3 5.206 -7.674 1.795 1.00 4.01 C ATOM 40 O ILE A 3 4.604 -8.459 1.064 1.00 4.61 O ATOM 41 CB ILE A 3 6.430 -5.694 1.197 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.532 -5.303 -0.018 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.856 -5.215 0.865 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.029 -5.026 0.350 1.00 10.83 C ATOM 0 H ILE A 3 6.371 -8.058 -0.380 1.00 5.87 H new ATOM 0 HA ILE A 3 7.258 -7.230 2.249 1.00 5.07 H new ATOM 0 HB ILE A 3 5.979 -5.244 2.081 1.00 6.55 H new ATOM 0 HG12 ILE A 3 5.948 -4.413 -0.491 1.00 4.72 H new ATOM 0 HG13 ILE A 3 5.571 -6.104 -0.756 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.844 -4.142 0.675 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.516 -5.427 1.706 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.218 -5.737 -0.021 1.00 5.58 H new ATOM 0 HD11 ILE A 3 3.477 -4.761 -0.552 1.00 10.83 H new ATOM 0 HD12 ILE A 3 3.592 -5.921 0.794 1.00 10.83 H new ATOM 0 HD13 ILE A 3 3.975 -4.204 1.063 1.00 10.83 H new ATOM 56 N PHE A 4 4.642 -7.337 2.943 1.00 4.55 N ATOM 57 CA PHE A 4 3.338 -7.925 3.399 1.00 4.68 C ATOM 58 C PHE A 4 2.335 -6.834 3.526 1.00 5.30 C ATOM 59 O PHE A 4 2.525 -5.959 4.347 1.00 5.58 O ATOM 60 CB PHE A 4 3.465 -8.538 4.820 1.00 4.83 C ATOM 61 CG PHE A 4 4.290 -9.688 4.839 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.852 -10.871 4.237 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.566 -9.681 5.383 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.745 -11.978 4.105 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.452 -10.754 5.268 1.00 10.61 C ATOM 66 CZ PHE A 4 6.031 -11.920 4.642 1.00 8.90 C ATOM 0 H PHE A 4 5.045 -6.663 3.594 1.00 4.55 H new ATOM 0 HA PHE A 4 3.051 -8.686 2.673 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.873 -7.790 5.500 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.474 -8.799 5.190 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.839 -10.948 3.872 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.890 -8.803 5.922 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.422 -12.868 3.585 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.455 -10.678 5.662 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.691 -12.772 4.572 1.00 8.90 H new ATOM 76 N VAL A 5 1.208 -6.855 2.793 1.00 4.44 N ATOM 77 CA VAL A 5 0.061 -5.957 2.982 1.00 3.87 C ATOM 78 C VAL A 5 -0.931 -6.659 3.935 1.00 4.93 C ATOM 79 O VAL A 5 -1.247 -7.846 3.762 1.00 6.84 O ATOM 80 CB VAL A 5 -0.641 -5.495 1.657 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.990 -4.797 1.996 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.352 -4.586 0.808 1.00 9.13 C ATOM 0 H VAL A 5 1.069 -7.518 2.031 1.00 4.44 H new ATOM 0 HA VAL A 5 0.433 -5.027 3.411 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.883 -6.354 1.031 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.476 -4.477 1.074 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.639 -5.496 2.524 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.802 -3.929 2.627 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.141 -4.268 -0.111 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.631 -3.709 1.392 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.247 -5.157 0.561 1.00 9.13 H new ATOM 92 N LYS A 6 -1.315 -5.958 5.054 1.00 6.04 N ATOM 93 CA LYS A 6 -2.162 -6.514 6.105 1.00 6.12 C ATOM 94 C LYS A 6 -3.338 -5.678 6.118 1.00 6.57 C ATOM 95 O LYS A 6 -3.266 -4.470 5.843 1.00 5.76 O ATOM 96 CB LYS A 6 -1.398 -6.511 7.445 1.00 7.45 C ATOM 97 CG LYS A 6 -1.897 -7.369 8.561 1.00 11.12 C ATOM 98 CD LYS A 6 -0.914 -7.396 9.682 1.00 14.54 C ATOM 99 CE LYS A 6 -1.064 -8.614 10.675 1.00 18.84 C ATOM 100 NZ LYS A 6 -0.340 -9.780 10.165 1.00 20.55 N ATOM 0 H LYS A 6 -1.032 -4.994 5.228 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.443 -7.553 5.935 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.369 -6.804 7.238 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.370 -5.483 7.806 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -2.854 -6.990 8.919 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -2.071 -8.382 8.198 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.092 -7.411 9.262 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.009 -6.470 10.250 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -0.679 -8.340 11.657 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -2.118 -8.860 10.803 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -0.348 -10.534 10.881 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -0.800 -10.122 9.297 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 0.643 -9.513 9.954 1.00 20.55 H new ATOM 114 N THR A 7 -4.524 -6.288 6.254 1.00 7.41 N ATOM 115 CA THR A 7 -5.771 -5.517 6.353 1.00 7.48 C ATOM 116 C THR A 7 -6.314 -5.738 7.745 1.00 8.75 C ATOM 117 O THR A 7 -6.009 -6.732 8.325 1.00 8.58 O ATOM 118 CB THR A 7 -6.865 -5.823 5.360 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.248 -7.161 5.294 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.349 -5.342 4.013 1.00 9.17 C ATOM 0 H THR A 7 -4.646 -7.300 6.298 1.00 7.41 H new ATOM 0 HA THR A 7 -5.493 -4.489 6.122 1.00 7.48 H new ATOM 0 HB THR A 7 -7.775 -5.314 5.677 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.960 -7.265 4.629 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.099 -5.536 3.246 1.00 9.17 H new ATOM 0 HG22 THR A 7 -6.148 -4.272 4.062 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.430 -5.873 3.765 1.00 9.17 H new ATOM 128 N LEU A 8 -7.189 -4.848 8.274 1.00 9.84 N ATOM 129 CA LEU A 8 -7.739 -4.931 9.679 1.00 14.15 C ATOM 130 C LEU A 8 -8.628 -6.115 9.904 1.00 17.37 C ATOM 131 O LEU A 8 -8.508 -6.897 10.811 1.00 17.01 O ATOM 132 CB LEU A 8 -8.432 -3.676 10.098 1.00 16.63 C ATOM 133 CG LEU A 8 -7.583 -2.405 10.070 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.546 -1.170 10.168 1.00 19.31 C ATOM 135 CD2 LEU A 8 -6.547 -2.357 11.175 1.00 18.59 C ATOM 0 H LEU A 8 -7.543 -4.047 7.751 1.00 9.84 H new ATOM 0 HA LEU A 8 -6.861 -5.063 10.311 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.296 -3.527 9.451 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -8.812 -3.814 11.110 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.023 -2.390 9.135 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -7.961 -0.250 10.150 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.235 -1.178 9.324 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.111 -1.222 11.099 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -5.978 -1.431 11.100 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -7.046 -2.399 12.143 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -5.871 -3.207 11.078 1.00 18.59 H new ATOM 147 N THR A 9 -9.417 -6.389 8.900 1.00 18.33 N ATOM 148 CA THR A 9 -10.402 -7.436 8.808 1.00 19.24 C ATOM 149 C THR A 9 -9.903 -8.754 8.355 1.00 19.48 C ATOM 150 O THR A 9 -10.608 -9.475 7.605 1.00 23.14 O ATOM 151 CB THR A 9 -11.618 -6.982 7.938 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.206 -6.423 6.728 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.372 -5.833 8.679 1.00 19.70 C ATOM 0 H THR A 9 -9.384 -5.833 8.045 1.00 18.33 H new ATOM 0 HA THR A 9 -10.715 -7.600 9.839 1.00 19.24 H new ATOM 0 HB THR A 9 -12.234 -7.865 7.767 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.992 -6.152 6.209 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.223 -5.510 8.079 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.726 -6.194 9.645 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.695 -4.992 8.831 1.00 19.70 H new ATOM 161 N GLY A 10 -8.759 -9.215 8.851 1.00 19.43 N ATOM 162 CA GLY A 10 -8.364 -10.607 8.851 1.00 18.74 C ATOM 163 C GLY A 10 -7.705 -11.155 7.641 1.00 17.62 C ATOM 164 O GLY A 10 -8.223 -12.157 7.135 1.00 19.74 O ATOM 0 H GLY A 10 -8.062 -8.604 9.277 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.690 -10.760 9.694 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -9.255 -11.205 9.043 1.00 18.74 H new ATOM 168 N LYS A 11 -6.628 -10.508 7.193 1.00 13.56 N ATOM 169 CA LYS A 11 -5.949 -10.915 5.973 1.00 11.91 C ATOM 170 C LYS A 11 -4.518 -10.245 5.807 1.00 10.18 C ATOM 171 O LYS A 11 -4.401 -9.041 5.889 1.00 9.10 O ATOM 172 CB LYS A 11 -6.913 -10.655 4.776 1.00 13.43 C ATOM 173 CG LYS A 11 -6.352 -11.102 3.362 1.00 16.69 C ATOM 174 CD LYS A 11 -7.420 -11.225 2.313 1.00 17.92 C ATOM 175 CE LYS A 11 -6.805 -11.674 1.004 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.760 -11.858 -0.044 1.00 21.93 N ATOM 0 H LYS A 11 -6.212 -9.702 7.659 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.722 -11.980 6.014 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.850 -11.180 4.962 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -7.145 -9.591 4.739 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.607 -10.380 3.029 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.843 -12.060 3.467 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.177 -11.941 2.634 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.923 -10.267 2.179 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.068 -10.937 0.687 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.270 -12.610 1.166 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.287 -12.261 -0.878 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.507 -12.506 0.277 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.181 -10.941 -0.295 1.00 21.93 H new ATOM 190 N THR A 12 -3.440 -11.061 5.613 1.00 9.63 N ATOM 191 CA THR A 12 -2.103 -10.643 5.273 1.00 9.85 C ATOM 192 C THR A 12 -1.717 -11.253 3.944 1.00 11.66 C ATOM 193 O THR A 12 -1.817 -12.488 3.813 1.00 12.33 O ATOM 194 CB THR A 12 -0.985 -11.149 6.200 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.282 -11.208 7.572 1.00 10.91 O ATOM 196 CG2 THR A 12 0.268 -10.248 6.093 1.00 9.63 C ATOM 0 H THR A 12 -3.516 -12.074 5.701 1.00 9.63 H new ATOM 0 HA THR A 12 -2.161 -9.555 5.316 1.00 9.85 H new ATOM 0 HB THR A 12 -0.835 -12.168 5.843 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.569 -11.689 8.041 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.045 -10.625 6.757 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.634 -10.254 5.066 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.009 -9.229 6.380 1.00 9.63 H new ATOM 204 N ILE A 13 -1.302 -10.481 2.957 1.00 10.42 N ATOM 205 CA ILE A 13 -0.942 -10.974 1.587 1.00 11.84 C ATOM 206 C ILE A 13 0.476 -10.624 1.299 1.00 10.55 C ATOM 207 O ILE A 13 0.941 -9.559 1.656 1.00 11.92 O ATOM 208 CB ILE A 13 -1.811 -10.520 0.488 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.028 -8.970 0.506 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.124 -11.239 0.623 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.026 -8.449 -0.536 1.00 16.46 C ATOM 0 H ILE A 13 -1.195 -9.472 3.059 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.094 -12.053 1.619 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.336 -10.749 -0.466 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.373 -8.677 1.498 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.067 -8.481 0.345 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.794 -10.926 -0.177 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -2.958 -12.314 0.558 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -3.573 -10.999 1.587 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.111 -7.366 -0.448 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -2.675 -8.706 -1.536 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.001 -8.905 -0.365 1.00 16.46 H new ATOM 223 N THR A 14 1.226 -11.546 0.709 1.00 9.39 N ATOM 224 CA THR A 14 2.571 -11.366 0.269 1.00 9.63 C ATOM 225 C THR A 14 2.609 -10.748 -1.083 1.00 11.20 C ATOM 226 O THR A 14 2.023 -11.238 -2.059 1.00 11.63 O ATOM 227 CB THR A 14 3.465 -12.665 0.157 1.00 10.38 C ATOM 228 OG1 THR A 14 3.215 -13.513 1.214 1.00 16.30 O ATOM 229 CG2 THR A 14 4.959 -12.357 0.123 1.00 11.66 C ATOM 0 H THR A 14 0.877 -12.486 0.522 1.00 9.39 H new ATOM 0 HA THR A 14 2.985 -10.740 1.059 1.00 9.63 H new ATOM 0 HB THR A 14 3.196 -13.138 -0.788 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.774 -14.313 1.131 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.521 -13.288 0.046 1.00 11.66 H new ATOM 0 HG22 THR A 14 5.181 -11.727 -0.738 1.00 11.66 H new ATOM 0 HG23 THR A 14 5.244 -11.836 1.037 1.00 11.66 H new ATOM 237 N LEU A 15 3.314 -9.596 -1.185 1.00 8.29 N ATOM 238 CA LEU A 15 3.166 -8.808 -2.370 1.00 9.03 C ATOM 239 C LEU A 15 4.576 -8.588 -2.989 1.00 8.59 C ATOM 240 O LEU A 15 5.469 -8.158 -2.237 1.00 7.79 O ATOM 241 CB LEU A 15 2.395 -7.505 -2.086 1.00 11.08 C ATOM 242 CG LEU A 15 1.939 -6.795 -3.347 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.715 -7.405 -4.032 1.00 15.88 C ATOM 244 CD2 LEU A 15 1.671 -5.283 -3.058 1.00 15.27 C ATOM 0 H LEU A 15 3.955 -9.228 -0.482 1.00 8.29 H new ATOM 0 HA LEU A 15 2.556 -9.331 -3.106 1.00 9.03 H new ATOM 0 HB2 LEU A 15 1.525 -7.732 -1.469 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.029 -6.833 -1.508 1.00 11.08 H new ATOM 0 HG LEU A 15 2.766 -6.919 -4.047 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.470 -6.826 -4.922 1.00 15.88 H new ATOM 0 HD12 LEU A 15 0.933 -8.434 -4.318 1.00 15.88 H new ATOM 0 HD13 LEU A 15 -0.131 -7.391 -3.345 1.00 15.88 H new ATOM 0 HD21 LEU A 15 1.345 -4.790 -3.974 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.894 -5.190 -2.299 1.00 15.27 H new ATOM 0 HD23 LEU A 15 2.587 -4.813 -2.699 1.00 15.27 H new ATOM 256 N GLU A 16 4.660 -8.845 -4.287 1.00 11.04 N ATOM 257 CA GLU A 16 5.863 -8.622 -5.076 1.00 11.50 C ATOM 258 C GLU A 16 5.992 -7.207 -5.598 1.00 10.13 C ATOM 259 O GLU A 16 5.187 -6.730 -6.396 1.00 9.83 O ATOM 260 CB GLU A 16 5.886 -9.612 -6.296 1.00 17.22 C ATOM 261 CG GLU A 16 7.236 -9.714 -7.133 1.00 23.33 C ATOM 262 CD GLU A 16 8.277 -10.335 -6.266 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.988 -11.522 -5.967 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.354 -9.795 -5.977 1.00 28.90 O ATOM 0 H GLU A 16 3.882 -9.220 -4.830 1.00 11.04 H new ATOM 0 HA GLU A 16 6.704 -8.797 -4.405 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.644 -10.608 -5.926 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.087 -9.323 -6.979 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.082 -10.313 -8.030 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.555 -8.725 -7.461 1.00 23.33 H new ATOM 271 N VAL A 17 7.051 -6.542 -5.196 1.00 8.99 N ATOM 272 CA VAL A 17 7.276 -5.147 -5.508 1.00 8.85 C ATOM 273 C VAL A 17 8.758 -4.961 -5.683 1.00 8.04 C ATOM 274 O VAL A 17 9.547 -5.841 -5.437 1.00 8.99 O ATOM 275 CB VAL A 17 6.798 -4.115 -4.416 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.332 -3.961 -4.389 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.284 -4.625 -3.078 1.00 10.54 C ATOM 0 H VAL A 17 7.792 -6.961 -4.634 1.00 8.99 H new ATOM 0 HA VAL A 17 6.683 -4.938 -6.399 1.00 8.85 H new ATOM 0 HB VAL A 17 7.208 -3.132 -4.649 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.056 -3.240 -3.620 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.985 -3.607 -5.360 1.00 12.05 H new ATOM 0 HG13 VAL A 17 4.869 -4.923 -4.167 1.00 12.05 H new ATOM 0 HG21 VAL A 17 6.973 -3.937 -2.292 1.00 10.54 H new ATOM 0 HG22 VAL A 17 6.858 -5.610 -2.888 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.372 -4.696 -3.089 1.00 10.54 H new ATOM 287 N GLU A 18 9.167 -3.716 -6.120 1.00 7.29 N ATOM 288 CA GLU A 18 10.523 -3.096 -6.184 1.00 7.08 C ATOM 289 C GLU A 18 10.556 -2.033 -5.077 1.00 6.45 C ATOM 290 O GLU A 18 9.498 -1.447 -4.758 1.00 5.28 O ATOM 291 CB GLU A 18 10.844 -2.432 -7.585 1.00 10.28 C ATOM 292 CG GLU A 18 10.706 -3.440 -8.662 1.00 12.65 C ATOM 293 CD GLU A 18 11.099 -2.897 -9.996 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.280 -2.982 -10.352 1.00 14.33 O ATOM 295 OE2 GLU A 18 10.231 -2.288 -10.637 1.00 18.17 O ATOM 0 H GLU A 18 8.469 -3.061 -6.472 1.00 7.29 H new ATOM 0 HA GLU A 18 11.281 -3.868 -6.050 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.166 -1.598 -7.766 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.856 -2.026 -7.582 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.324 -4.307 -8.428 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.673 -3.787 -8.703 1.00 12.65 H new ATOM 302 N PRO A 19 11.678 -1.653 -4.438 1.00 7.24 N ATOM 303 CA PRO A 19 11.731 -0.394 -3.682 1.00 7.07 C ATOM 304 C PRO A 19 11.147 0.923 -4.328 1.00 6.65 C ATOM 305 O PRO A 19 10.785 1.918 -3.671 1.00 6.37 O ATOM 306 CB PRO A 19 13.200 -0.205 -3.416 1.00 7.61 C ATOM 307 CG PRO A 19 13.878 -1.530 -3.664 1.00 8.16 C ATOM 308 CD PRO A 19 13.016 -2.233 -4.745 1.00 7.49 C ATOM 0 HA PRO A 19 11.073 -0.513 -2.821 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.612 0.565 -4.068 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.365 0.124 -2.390 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.903 -1.389 -4.008 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.927 -2.124 -2.751 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.347 -2.000 -5.757 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.031 -3.318 -4.647 1.00 7.49 H new ATOM 316 N SER A 20 11.332 0.966 -5.666 1.00 6.80 N ATOM 317 CA SER A 20 11.197 2.207 -6.377 1.00 6.28 C ATOM 318 C SER A 20 9.795 2.325 -6.957 1.00 8.45 C ATOM 319 O SER A 20 9.508 3.239 -7.696 1.00 7.26 O ATOM 320 CB SER A 20 12.278 2.306 -7.468 1.00 8.57 C ATOM 321 OG SER A 20 13.641 1.834 -7.042 1.00 11.13 O ATOM 0 H SER A 20 11.570 0.160 -6.245 1.00 6.80 H new ATOM 0 HA SER A 20 11.341 3.041 -5.690 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.959 1.722 -8.331 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.353 3.343 -7.794 1.00 8.57 H new ATOM 0 HG SER A 20 14.268 1.928 -7.789 1.00 11.13 H new ATOM 327 N ASP A 21 8.903 1.429 -6.672 1.00 7.50 N ATOM 328 CA ASP A 21 7.504 1.412 -7.059 1.00 7.70 C ATOM 329 C ASP A 21 6.811 2.521 -6.307 1.00 7.08 C ATOM 330 O ASP A 21 6.960 2.694 -5.086 1.00 8.11 O ATOM 331 CB ASP A 21 6.809 0.022 -6.771 1.00 11.00 C ATOM 332 CG ASP A 21 7.153 -0.987 -7.812 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.240 -0.627 -9.039 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.175 -2.215 -7.479 1.00 14.36 O ATOM 0 H ASP A 21 9.145 0.612 -6.112 1.00 7.50 H new ATOM 0 HA ASP A 21 7.431 1.563 -8.136 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.118 -0.344 -5.792 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.728 0.155 -6.735 1.00 11.00 H new ATOM 339 N THR A 22 5.963 3.340 -6.945 1.00 5.37 N ATOM 340 CA THR A 22 5.028 4.259 -6.323 1.00 6.01 C ATOM 341 C THR A 22 3.934 3.545 -5.522 1.00 8.01 C ATOM 342 O THR A 22 3.451 2.441 -5.782 1.00 8.11 O ATOM 343 CB THR A 22 4.366 5.251 -7.313 1.00 8.92 C ATOM 344 OG1 THR A 22 4.002 4.613 -8.490 1.00 10.22 O ATOM 345 CG2 THR A 22 5.451 6.315 -7.642 1.00 9.65 C ATOM 0 H THR A 22 5.917 3.373 -7.963 1.00 5.37 H new ATOM 0 HA THR A 22 5.651 4.835 -5.639 1.00 6.01 H new ATOM 0 HB THR A 22 3.467 5.684 -6.874 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.585 5.260 -9.097 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.043 7.047 -8.339 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.757 6.819 -6.725 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.315 5.826 -8.093 1.00 9.65 H new ATOM 353 N ILE A 23 3.444 4.248 -4.519 1.00 8.32 N ATOM 354 CA ILE A 23 2.199 3.870 -3.850 1.00 9.92 C ATOM 355 C ILE A 23 1.026 3.787 -4.794 1.00 10.01 C ATOM 356 O ILE A 23 0.126 2.976 -4.629 1.00 8.71 O ATOM 357 CB ILE A 23 1.858 4.721 -2.648 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.058 4.859 -1.727 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.708 4.162 -1.920 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.594 3.532 -1.267 1.00 12.30 C ATOM 0 H ILE A 23 3.885 5.087 -4.144 1.00 8.32 H new ATOM 0 HA ILE A 23 2.399 2.867 -3.473 1.00 9.92 H new ATOM 0 HB ILE A 23 1.585 5.714 -3.005 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.847 5.405 -2.245 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.777 5.453 -0.858 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.481 4.791 -1.059 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.158 4.125 -2.581 1.00 10.90 H new ATOM 0 HG23 ILE A 23 0.948 3.155 -1.580 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.450 3.693 -0.612 1.00 12.30 H new ATOM 0 HD12 ILE A 23 2.817 2.994 -0.723 1.00 12.30 H new ATOM 0 HD13 ILE A 23 3.904 2.945 -2.132 1.00 12.30 H new ATOM 372 N GLU A 24 0.910 4.677 -5.854 1.00 9.54 N ATOM 373 CA GLU A 24 -0.144 4.531 -6.906 1.00 11.81 C ATOM 374 C GLU A 24 0.029 3.129 -7.662 1.00 11.14 C ATOM 375 O GLU A 24 -0.963 2.449 -7.905 1.00 10.62 O ATOM 376 CB GLU A 24 0.063 5.684 -7.831 1.00 19.24 C ATOM 377 CG GLU A 24 -1.080 5.918 -8.862 1.00 27.76 C ATOM 378 CD GLU A 24 -0.785 7.025 -9.857 1.00 32.92 C ATOM 379 OE1 GLU A 24 0.154 6.805 -10.632 1.00 36.51 O ATOM 380 OE2 GLU A 24 -1.383 8.108 -9.855 1.00 34.80 O ATOM 0 H GLU A 24 1.525 5.480 -5.988 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.153 4.536 -6.494 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.186 6.589 -7.236 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.995 5.531 -8.374 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.262 4.991 -9.406 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -1.998 6.158 -8.326 1.00 27.76 H new ATOM 387 N ASN A 25 1.273 2.666 -7.935 1.00 9.43 N ATOM 388 CA ASN A 25 1.499 1.337 -8.504 1.00 10.96 C ATOM 389 C ASN A 25 1.074 0.150 -7.582 1.00 9.68 C ATOM 390 O ASN A 25 0.565 -0.870 -8.000 1.00 9.33 O ATOM 391 CB ASN A 25 2.940 1.315 -9.014 1.00 16.78 C ATOM 392 CG ASN A 25 3.209 -0.032 -9.704 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.997 -0.847 -9.277 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.520 -0.284 -10.848 1.00 24.70 N ATOM 0 H ASN A 25 2.126 3.200 -7.767 1.00 9.43 H new ATOM 0 HA ASN A 25 0.827 1.163 -9.344 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.104 2.135 -9.713 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.634 1.459 -8.186 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.666 -1.161 -11.349 1.00 24.70 H new ATOM 0 HD22 ASN A 25 1.857 0.403 -11.206 1.00 24.70 H new ATOM 401 N VAL A 26 1.378 0.251 -6.267 1.00 6.52 N ATOM 402 CA VAL A 26 0.984 -0.693 -5.247 1.00 5.53 C ATOM 403 C VAL A 26 -0.537 -0.702 -5.109 1.00 4.42 C ATOM 404 O VAL A 26 -1.134 -1.750 -5.068 1.00 3.40 O ATOM 405 CB VAL A 26 1.764 -0.298 -3.969 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.345 -1.100 -2.755 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.283 -0.578 -4.103 1.00 8.12 C ATOM 0 H VAL A 26 1.925 1.028 -5.895 1.00 6.52 H new ATOM 0 HA VAL A 26 1.235 -1.726 -5.487 1.00 5.53 H new ATOM 0 HB VAL A 26 1.545 0.763 -3.848 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.925 -0.780 -1.890 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.285 -0.939 -2.561 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.523 -2.159 -2.940 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.789 -0.285 -3.183 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.443 -1.641 -4.283 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.686 -0.004 -4.937 1.00 8.12 H new ATOM 417 N LYS A 27 -1.243 0.489 -5.119 1.00 2.64 N ATOM 418 CA LYS A 27 -2.784 0.524 -5.102 1.00 4.14 C ATOM 419 C LYS A 27 -3.451 -0.105 -6.353 1.00 5.58 C ATOM 420 O LYS A 27 -4.429 -0.812 -6.291 1.00 4.11 O ATOM 421 CB LYS A 27 -3.439 1.956 -4.891 1.00 3.97 C ATOM 422 CG LYS A 27 -3.055 2.579 -3.601 1.00 7.45 C ATOM 423 CD LYS A 27 -3.617 4.003 -3.388 1.00 9.02 C ATOM 424 CE LYS A 27 -3.157 4.674 -2.053 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.776 5.952 -1.786 1.00 15.47 N ATOM 0 H LYS A 27 -0.803 1.409 -5.138 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.986 -0.085 -4.221 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.140 2.611 -5.709 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.524 1.864 -4.936 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.398 1.941 -2.787 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.967 2.618 -3.539 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.311 4.632 -4.224 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.706 3.959 -3.404 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.375 3.998 -1.226 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.075 4.806 -2.080 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.683 6.178 -0.775 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.308 6.689 -2.350 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.784 5.909 -2.040 1.00 15.47 H new ATOM 439 N ALA A 28 -2.738 0.073 -7.504 1.00 6.61 N ATOM 440 CA ALA A 28 -3.001 -0.536 -8.747 1.00 7.74 C ATOM 441 C ALA A 28 -2.746 -2.023 -8.836 1.00 9.17 C ATOM 442 O ALA A 28 -3.526 -2.785 -9.428 1.00 11.45 O ATOM 443 CB ALA A 28 -2.150 0.110 -9.891 1.00 7.68 C ATOM 0 H ALA A 28 -1.927 0.690 -7.540 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.073 -0.370 -8.857 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.377 -0.383 -10.836 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.390 1.171 -9.968 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.090 -0.007 -9.666 1.00 7.68 H new ATOM 449 N LYS A 29 -1.630 -2.529 -8.223 1.00 8.96 N ATOM 450 CA LYS A 29 -1.304 -3.938 -8.000 1.00 7.90 C ATOM 451 C LYS A 29 -2.276 -4.615 -7.052 1.00 6.92 C ATOM 452 O LYS A 29 -2.844 -5.674 -7.352 1.00 6.87 O ATOM 453 CB LYS A 29 0.187 -4.173 -7.728 1.00 10.28 C ATOM 454 CG LYS A 29 0.566 -5.632 -8.029 1.00 14.94 C ATOM 455 CD LYS A 29 2.029 -5.911 -7.800 1.00 19.69 C ATOM 456 CE LYS A 29 2.870 -5.566 -8.986 1.00 22.63 C ATOM 457 NZ LYS A 29 4.274 -5.540 -8.642 1.00 24.98 N ATOM 0 H LYS A 29 -0.905 -1.911 -7.858 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.461 -4.464 -8.941 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.785 -3.501 -8.344 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.414 -3.939 -6.688 1.00 10.28 H new ATOM 0 HG2 LYS A 29 -0.029 -6.295 -7.401 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.314 -5.863 -9.064 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.373 -5.342 -6.937 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.161 -6.966 -7.560 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.701 -6.294 -9.779 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.571 -4.594 -9.377 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.842 -5.772 -9.482 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.531 -4.591 -8.302 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.461 -6.238 -7.894 1.00 24.98 H new ATOM 471 N ILE A 30 -2.612 -4.008 -5.910 1.00 4.57 N ATOM 472 CA ILE A 30 -3.733 -4.454 -5.093 1.00 5.58 C ATOM 473 C ILE A 30 -5.088 -4.430 -5.772 1.00 7.26 C ATOM 474 O ILE A 30 -5.861 -5.375 -5.602 1.00 9.46 O ATOM 475 CB ILE A 30 -3.691 -3.732 -3.728 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.349 -4.012 -3.016 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.900 -4.008 -2.753 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.101 -5.443 -2.652 1.00 2.00 C ATOM 0 H ILE A 30 -2.116 -3.201 -5.532 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.601 -5.523 -4.924 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.787 -2.676 -3.979 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.538 -3.673 -3.660 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.307 -3.411 -2.107 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.758 -3.447 -1.829 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.830 -3.695 -3.228 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.949 -5.073 -2.527 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.133 -5.530 -2.158 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.885 -5.788 -1.978 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.104 -6.054 -3.555 1.00 2.00 H new ATOM 490 N GLN A 31 -5.401 -3.423 -6.534 1.00 7.06 N ATOM 491 CA GLN A 31 -6.637 -3.299 -7.268 1.00 8.67 C ATOM 492 C GLN A 31 -6.773 -4.424 -8.338 1.00 10.90 C ATOM 493 O GLN A 31 -7.856 -5.055 -8.386 1.00 9.63 O ATOM 494 CB GLN A 31 -6.653 -1.968 -8.051 1.00 9.12 C ATOM 495 CG GLN A 31 -7.892 -1.801 -8.968 1.00 10.76 C ATOM 496 CD GLN A 31 -7.947 -0.395 -9.549 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.928 0.092 -10.040 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.153 0.200 -9.603 1.00 14.76 N ATOM 0 H GLN A 31 -4.777 -2.628 -6.670 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.445 -3.357 -6.539 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.621 -1.140 -7.343 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.750 -1.903 -8.659 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.854 -2.532 -9.776 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.801 -2.001 -8.400 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -9.963 -0.251 -9.178 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.257 1.102 -10.069 1.00 14.76 H new ATOM 507 N ASP A 32 -5.681 -4.782 -9.003 1.00 10.93 N ATOM 508 CA ASP A 32 -5.653 -5.970 -9.818 1.00 14.01 C ATOM 509 C ASP A 32 -5.856 -7.261 -9.008 1.00 14.04 C ATOM 510 O ASP A 32 -6.676 -8.096 -9.433 1.00 13.39 O ATOM 511 CB ASP A 32 -4.249 -6.172 -10.548 1.00 18.01 C ATOM 512 CG ASP A 32 -4.062 -5.531 -11.914 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.994 -5.019 -12.559 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.877 -5.565 -12.345 1.00 25.17 O ATOM 0 H ASP A 32 -4.806 -4.259 -8.988 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.466 -5.812 -10.526 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.470 -5.789 -9.889 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.078 -7.243 -10.654 1.00 18.01 H new ATOM 519 N LYS A 33 -5.217 -7.385 -7.793 1.00 14.22 N ATOM 520 CA LYS A 33 -5.223 -8.546 -6.954 1.00 14.00 C ATOM 521 C LYS A 33 -6.475 -8.887 -6.091 1.00 12.37 C ATOM 522 O LYS A 33 -6.810 -10.072 -6.017 1.00 12.17 O ATOM 523 CB LYS A 33 -4.039 -8.546 -6.018 1.00 18.62 C ATOM 524 CG LYS A 33 -3.803 -9.782 -5.164 1.00 24.00 C ATOM 525 CD LYS A 33 -2.475 -9.875 -4.402 1.00 27.61 C ATOM 526 CE LYS A 33 -1.211 -10.041 -5.289 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.210 -11.275 -6.119 1.00 30.06 N ATOM 0 H LYS A 33 -4.672 -6.621 -7.394 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.204 -9.319 -7.722 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.142 -8.376 -6.614 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.143 -7.692 -5.348 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -4.613 -9.848 -4.437 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -3.882 -10.657 -5.810 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.359 -8.976 -3.797 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.529 -10.718 -3.713 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -1.124 -9.175 -5.945 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.329 -10.046 -4.649 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.336 -11.314 -6.682 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.261 -12.109 -5.500 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -2.032 -11.265 -6.756 1.00 30.06 H new ATOM 541 N GLU A 34 -7.001 -7.837 -5.484 1.00 10.11 N ATOM 542 CA GLU A 34 -8.043 -7.898 -4.464 1.00 10.07 C ATOM 543 C GLU A 34 -9.304 -7.171 -4.895 1.00 9.32 C ATOM 544 O GLU A 34 -10.328 -7.184 -4.200 1.00 11.61 O ATOM 545 CB GLU A 34 -7.490 -7.300 -3.121 1.00 14.77 C ATOM 546 CG GLU A 34 -6.500 -8.280 -2.434 1.00 18.75 C ATOM 547 CD GLU A 34 -7.198 -9.546 -2.086 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.165 -9.430 -1.356 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.756 -10.644 -2.418 1.00 21.95 O ATOM 0 H GLU A 34 -6.706 -6.883 -5.693 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.316 -8.943 -4.316 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -6.988 -6.353 -3.321 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.319 -7.085 -2.447 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.661 -8.488 -3.098 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.088 -7.823 -1.534 1.00 18.75 H new ATOM 556 N GLY A 35 -9.334 -6.590 -6.144 1.00 7.22 N ATOM 557 CA GLY A 35 -10.540 -5.931 -6.697 1.00 6.29 C ATOM 558 C GLY A 35 -11.061 -4.671 -6.014 1.00 6.93 C ATOM 559 O GLY A 35 -12.261 -4.414 -5.933 1.00 7.41 O ATOM 0 H GLY A 35 -8.531 -6.573 -6.773 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.333 -5.682 -7.738 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.347 -6.664 -6.699 1.00 6.29 H new ATOM 563 N ILE A 36 -10.138 -3.923 -5.411 1.00 5.86 N ATOM 564 CA ILE A 36 -10.457 -2.769 -4.614 1.00 6.07 C ATOM 565 C ILE A 36 -9.901 -1.586 -5.307 1.00 6.36 C ATOM 566 O ILE A 36 -8.713 -1.501 -5.623 1.00 6.18 O ATOM 567 CB ILE A 36 -9.756 -2.825 -3.212 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.016 -4.214 -2.566 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.374 -1.704 -2.309 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.440 -4.264 -1.166 1.00 9.49 C ATOM 0 H ILE A 36 -9.138 -4.115 -5.471 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.538 -2.729 -4.481 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.682 -2.673 -3.317 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.088 -4.411 -2.532 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.567 -4.996 -3.178 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.900 -1.725 -1.328 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.208 -0.731 -2.772 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.445 -1.875 -2.199 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.631 -5.244 -0.729 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.365 -4.089 -1.208 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.909 -3.495 -0.552 1.00 9.49 H new ATOM 582 N PRO A 37 -10.736 -0.606 -5.643 1.00 8.65 N ATOM 583 CA PRO A 37 -10.379 0.701 -6.161 1.00 9.18 C ATOM 584 C PRO A 37 -9.344 1.445 -5.372 1.00 9.85 C ATOM 585 O PRO A 37 -9.357 1.192 -4.174 1.00 8.51 O ATOM 586 CB PRO A 37 -11.775 1.457 -6.295 1.00 11.42 C ATOM 587 CG PRO A 37 -12.823 0.366 -6.553 1.00 9.27 C ATOM 588 CD PRO A 37 -12.214 -0.762 -5.722 1.00 8.33 C ATOM 0 HA PRO A 37 -9.862 0.618 -7.117 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -12.006 2.013 -5.387 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.752 2.177 -7.113 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.818 0.650 -6.210 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.911 0.109 -7.609 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.641 -0.755 -4.719 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.461 -1.725 -6.168 1.00 8.33 H new ATOM 596 N PRO A 38 -8.438 2.286 -5.893 1.00 8.71 N ATOM 597 CA PRO A 38 -7.495 3.151 -5.213 1.00 9.08 C ATOM 598 C PRO A 38 -8.311 4.135 -4.288 1.00 9.28 C ATOM 599 O PRO A 38 -7.793 4.390 -3.144 1.00 6.50 O ATOM 600 CB PRO A 38 -6.707 3.853 -6.310 1.00 10.31 C ATOM 601 CG PRO A 38 -7.629 3.848 -7.514 1.00 10.81 C ATOM 602 CD PRO A 38 -8.355 2.533 -7.337 1.00 12.00 C ATOM 0 HA PRO A 38 -6.795 2.626 -4.563 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.443 4.870 -6.018 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.775 3.330 -6.524 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -8.313 4.697 -7.510 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -7.077 3.888 -8.453 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -9.350 2.578 -7.779 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.820 1.726 -7.837 1.00 12.00 H new ATOM 610 N ASP A 39 -9.576 4.518 -4.611 1.00 11.20 N ATOM 611 CA ASP A 39 -10.461 5.276 -3.728 1.00 14.96 C ATOM 612 C ASP A 39 -10.686 4.627 -2.305 1.00 13.99 C ATOM 613 O ASP A 39 -11.005 5.300 -1.337 1.00 13.75 O ATOM 614 CB ASP A 39 -11.818 5.540 -4.481 1.00 24.16 C ATOM 615 CG ASP A 39 -11.568 6.277 -5.718 1.00 31.06 C ATOM 616 OD1 ASP A 39 -11.427 7.491 -5.688 1.00 34.22 O ATOM 617 OD2 ASP A 39 -11.496 5.611 -6.791 1.00 35.55 O ATOM 0 H ASP A 39 -10.002 4.298 -5.511 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.966 6.221 -3.503 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -12.309 4.593 -4.705 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -12.494 6.106 -3.841 1.00 24.16 H new ATOM 622 N GLN A 40 -10.559 3.311 -2.253 1.00 11.60 N ATOM 623 CA GLN A 40 -10.947 2.551 -1.066 1.00 10.76 C ATOM 624 C GLN A 40 -9.718 2.156 -0.328 1.00 8.01 C ATOM 625 O GLN A 40 -9.835 1.392 0.627 1.00 8.96 O ATOM 626 CB GLN A 40 -11.803 1.319 -1.403 1.00 11.14 C ATOM 627 CG GLN A 40 -13.248 1.787 -1.819 1.00 14.85 C ATOM 628 CD GLN A 40 -14.143 0.585 -2.072 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.129 -0.497 -1.434 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.998 0.664 -3.122 1.00 18.16 N ATOM 0 H GLN A 40 -10.191 2.743 -3.016 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.572 3.190 -0.442 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.344 0.754 -2.214 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -11.858 0.653 -0.542 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.676 2.408 -1.032 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -13.193 2.403 -2.717 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.050 1.520 -3.674 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.589 -0.133 -3.359 1.00 18.16 H new ATOM 639 N GLN A 41 -8.514 2.687 -0.660 1.00 6.52 N ATOM 640 CA GLN A 41 -7.283 2.258 -0.171 1.00 3.87 C ATOM 641 C GLN A 41 -6.470 3.429 0.378 1.00 4.79 C ATOM 642 O GLN A 41 -6.015 4.235 -0.418 1.00 6.34 O ATOM 643 CB GLN A 41 -6.419 1.659 -1.357 1.00 4.20 C ATOM 644 CG GLN A 41 -6.956 0.286 -1.791 1.00 3.20 C ATOM 645 CD GLN A 41 -6.021 -0.280 -2.832 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.806 -0.375 -2.501 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.423 -0.759 -4.026 1.00 7.13 N ATOM 0 H GLN A 41 -8.427 3.465 -1.314 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.487 1.524 0.609 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.434 2.344 -2.205 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.380 1.564 -1.043 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.021 -0.385 -0.934 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.963 0.383 -2.197 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.403 -0.686 -4.301 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.748 -1.194 -4.654 1.00 7.13 H new ATOM 656 N ARG A 42 -6.182 3.400 1.681 1.00 5.73 N ATOM 657 CA ARG A 42 -5.262 4.286 2.276 1.00 6.97 C ATOM 658 C ARG A 42 -4.140 3.362 2.761 1.00 7.15 C ATOM 659 O ARG A 42 -4.368 2.394 3.444 1.00 7.33 O ATOM 660 CB ARG A 42 -5.933 4.951 3.471 1.00 13.23 C ATOM 661 CG ARG A 42 -6.987 6.027 3.089 1.00 21.27 C ATOM 662 CD ARG A 42 -7.595 6.654 4.296 1.00 26.14 C ATOM 663 NE ARG A 42 -8.335 7.890 3.964 1.00 32.26 N ATOM 664 CZ ARG A 42 -9.375 8.485 4.658 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.911 7.896 5.717 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.857 9.610 4.179 1.00 36.39 N ATOM 0 H ARG A 42 -6.603 2.740 2.335 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.906 5.070 1.607 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.416 4.184 4.076 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -5.167 5.413 4.094 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.516 6.796 2.477 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.769 5.571 2.482 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -8.271 5.944 4.772 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.812 6.883 5.019 1.00 26.14 H new ATOM 0 HE ARG A 42 -8.041 8.367 3.112 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -9.558 6.992 6.031 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.677 8.347 6.218 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.465 10.011 3.327 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.623 10.082 4.659 1.00 36.39 H new ATOM 680 N LEU A 43 -2.895 3.647 2.437 1.00 4.65 N ATOM 681 CA LEU A 43 -1.838 2.752 2.836 1.00 3.51 C ATOM 682 C LEU A 43 -1.031 3.414 3.932 1.00 5.56 C ATOM 683 O LEU A 43 -0.681 4.581 3.882 1.00 4.19 O ATOM 684 CB LEU A 43 -0.899 2.319 1.630 1.00 3.74 C ATOM 685 CG LEU A 43 0.028 1.099 1.872 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.759 -0.237 2.072 1.00 9.55 C ATOM 687 CD2 LEU A 43 1.030 0.849 0.690 1.00 6.41 C ATOM 0 H LEU A 43 -2.599 4.470 1.912 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.296 1.832 3.201 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.530 2.101 0.769 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.276 3.172 1.361 1.00 3.74 H new ATOM 0 HG LEU A 43 0.567 1.364 2.782 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.055 -1.053 2.237 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -1.417 -0.146 2.936 1.00 9.55 H new ATOM 0 HD13 LEU A 43 -1.354 -0.445 1.183 1.00 9.55 H new ATOM 0 HD21 LEU A 43 1.652 -0.017 0.917 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.471 0.664 -0.228 1.00 6.41 H new ATOM 0 HD23 LEU A 43 1.664 1.726 0.559 1.00 6.41 H new ATOM 699 N ILE A 44 -0.783 2.705 5.066 1.00 4.58 N ATOM 700 CA ILE A 44 -0.119 3.165 6.236 1.00 5.55 C ATOM 701 C ILE A 44 1.195 2.473 6.489 1.00 5.46 C ATOM 702 O ILE A 44 1.342 1.238 6.358 1.00 6.04 O ATOM 703 CB ILE A 44 -1.017 3.027 7.469 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.524 3.430 7.279 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.427 3.734 8.708 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.791 4.874 6.829 1.00 13.90 C ATOM 0 H ILE A 44 -1.078 1.733 5.155 1.00 4.58 H new ATOM 0 HA ILE A 44 0.099 4.217 6.055 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.030 1.950 7.634 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.969 2.756 6.547 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.044 3.264 8.222 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.101 3.607 9.555 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.543 3.299 8.948 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.306 4.797 8.497 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.865 5.032 6.733 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.387 5.566 7.568 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.311 5.050 5.867 1.00 13.90 H new ATOM 718 N PHE A 45 2.246 3.265 6.817 1.00 6.75 N ATOM 719 CA PHE A 45 3.570 2.862 7.293 1.00 4.70 C ATOM 720 C PHE A 45 4.333 4.062 7.960 1.00 6.34 C ATOM 721 O PHE A 45 4.179 5.232 7.643 1.00 5.45 O ATOM 722 CB PHE A 45 4.349 2.112 6.174 1.00 5.51 C ATOM 723 CG PHE A 45 5.776 1.771 6.547 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.006 0.513 7.152 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.852 2.577 6.158 1.00 5.87 C ATOM 726 CE1 PHE A 45 7.350 0.177 7.467 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.192 2.224 6.405 1.00 6.64 C ATOM 728 CZ PHE A 45 8.373 0.987 7.063 1.00 6.84 C ATOM 0 H PHE A 45 2.172 4.280 6.746 1.00 6.75 H new ATOM 0 HA PHE A 45 3.464 2.137 8.100 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.818 1.192 5.928 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.355 2.727 5.274 1.00 5.51 H new ATOM 0 HD1 PHE A 45 5.193 -0.165 7.366 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.646 3.507 5.648 1.00 5.87 H new ATOM 0 HE1 PHE A 45 7.563 -0.721 8.027 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.021 2.852 6.113 1.00 6.64 H new ATOM 0 HZ PHE A 45 9.384 0.661 7.259 1.00 6.84 H new ATOM 738 N ALA A 46 5.186 3.709 8.965 1.00 6.53 N ATOM 739 CA ALA A 46 5.916 4.621 9.810 1.00 7.15 C ATOM 740 C ALA A 46 5.071 5.713 10.523 1.00 9.00 C ATOM 741 O ALA A 46 5.549 6.889 10.654 1.00 11.15 O ATOM 742 CB ALA A 46 7.152 5.243 9.058 1.00 8.99 C ATOM 0 H ALA A 46 5.371 2.733 9.195 1.00 6.53 H new ATOM 0 HA ALA A 46 6.274 3.993 10.626 1.00 7.15 H new ATOM 0 HB1 ALA A 46 7.678 5.925 9.726 1.00 8.99 H new ATOM 0 HB2 ALA A 46 7.828 4.446 8.747 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.807 5.789 8.180 1.00 8.99 H new ATOM 748 N GLY A 47 3.761 5.327 10.829 1.00 9.35 N ATOM 749 CA GLY A 47 2.779 6.219 11.431 1.00 11.68 C ATOM 750 C GLY A 47 2.294 7.384 10.563 1.00 11.14 C ATOM 751 O GLY A 47 1.563 8.295 10.970 1.00 13.93 O ATOM 0 H GLY A 47 3.403 4.389 10.650 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.912 5.626 11.722 1.00 11.68 H new ATOM 0 HA3 GLY A 47 3.206 6.629 12.346 1.00 11.68 H new ATOM 755 N LYS A 48 2.671 7.314 9.270 1.00 10.47 N ATOM 756 CA LYS A 48 2.171 8.182 8.229 1.00 8.82 C ATOM 757 C LYS A 48 1.203 7.413 7.383 1.00 7.68 C ATOM 758 O LYS A 48 1.323 6.250 7.218 1.00 6.47 O ATOM 759 CB LYS A 48 3.366 8.552 7.287 1.00 9.74 C ATOM 760 CG LYS A 48 4.457 9.168 8.088 1.00 14.14 C ATOM 761 CD LYS A 48 5.587 9.642 7.174 1.00 16.32 C ATOM 762 CE LYS A 48 6.750 10.353 7.941 1.00 20.04 C ATOM 763 NZ LYS A 48 7.715 10.974 7.059 1.00 23.92 N ATOM 0 H LYS A 48 3.348 6.630 8.931 1.00 10.47 H new ATOM 0 HA LYS A 48 1.707 9.062 8.676 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.732 7.660 6.779 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.033 9.244 6.514 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.066 10.010 8.660 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.842 8.445 8.807 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.989 8.786 6.632 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.180 10.327 6.431 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.331 11.111 8.603 1.00 20.04 H new ATOM 0 HE3 LYS A 48 7.259 9.625 8.572 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.460 11.428 7.625 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.139 10.250 6.444 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.240 11.690 6.474 1.00 23.92 H new ATOM 777 N GLN A 49 0.242 8.133 6.744 1.00 8.89 N ATOM 778 CA GLN A 49 -0.366 7.551 5.690 1.00 7.18 C ATOM 779 C GLN A 49 0.362 7.951 4.449 1.00 8.23 C ATOM 780 O GLN A 49 0.835 9.086 4.292 1.00 9.70 O ATOM 781 CB GLN A 49 -1.740 8.205 5.678 1.00 11.67 C ATOM 782 CG GLN A 49 -2.655 7.709 4.536 1.00 15.82 C ATOM 783 CD GLN A 49 -4.030 8.325 4.774 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.763 7.972 5.670 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.366 9.237 3.863 1.00 20.67 N ATOM 0 H GLN A 49 -0.066 9.075 6.985 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.400 6.463 5.745 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -2.231 8.016 6.633 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.618 9.285 5.591 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.260 8.009 3.566 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.714 6.621 4.533 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.704 9.494 3.130 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.285 9.678 3.898 1.00 20.67 H new ATOM 794 N LEU A 50 0.518 7.073 3.516 1.00 6.51 N ATOM 795 CA LEU A 50 1.359 7.244 2.385 1.00 7.41 C ATOM 796 C LEU A 50 0.713 7.985 1.246 1.00 8.27 C ATOM 797 O LEU A 50 -0.442 7.686 0.929 1.00 8.34 O ATOM 798 CB LEU A 50 2.038 5.957 1.821 1.00 7.13 C ATOM 799 CG LEU A 50 2.653 4.993 2.916 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.536 3.891 2.330 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.536 5.722 3.942 1.00 9.11 C ATOM 0 H LEU A 50 0.038 6.173 3.524 1.00 6.51 H new ATOM 0 HA LEU A 50 2.151 7.855 2.819 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.302 5.401 1.240 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.830 6.253 1.133 1.00 7.13 H new ATOM 0 HG LEU A 50 1.766 4.572 3.390 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.924 3.268 3.136 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.947 3.277 1.648 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.367 4.341 1.787 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.925 5.003 4.663 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.366 6.207 3.428 1.00 9.11 H new ATOM 0 HD23 LEU A 50 2.943 6.474 4.463 1.00 9.11 H new ATOM 813 N GLU A 51 1.385 9.008 0.717 1.00 9.43 N ATOM 814 CA GLU A 51 1.020 9.785 -0.451 1.00 11.90 C ATOM 815 C GLU A 51 1.350 9.000 -1.646 1.00 11.49 C ATOM 816 O GLU A 51 2.349 8.287 -1.690 1.00 9.88 O ATOM 817 CB GLU A 51 1.690 11.132 -0.584 1.00 16.56 C ATOM 818 CG GLU A 51 1.425 12.155 0.521 1.00 26.06 C ATOM 819 CD GLU A 51 2.264 13.393 0.297 1.00 29.86 C ATOM 820 OE1 GLU A 51 2.001 14.258 -0.608 1.00 32.13 O ATOM 821 OE2 GLU A 51 3.312 13.447 1.024 1.00 33.44 O ATOM 0 H GLU A 51 2.260 9.332 1.129 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.044 9.992 -0.339 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.766 10.970 -0.644 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.381 11.571 -1.533 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.368 12.421 0.535 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.657 11.720 1.493 1.00 26.06 H new ATOM 828 N ASP A 52 0.440 9.067 -2.653 1.00 12.71 N ATOM 829 CA ASP A 52 0.369 8.233 -3.795 1.00 16.56 C ATOM 830 C ASP A 52 1.540 8.296 -4.801 1.00 15.83 C ATOM 831 O ASP A 52 2.072 7.252 -5.198 1.00 17.21 O ATOM 832 CB ASP A 52 -0.929 8.629 -4.515 1.00 21.05 C ATOM 833 CG ASP A 52 -2.083 8.608 -3.582 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.384 9.549 -2.787 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.843 7.594 -3.602 1.00 25.82 O ATOM 0 H ASP A 52 -0.299 9.770 -2.650 1.00 12.71 H new ATOM 0 HA ASP A 52 0.412 7.206 -3.433 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.822 9.625 -4.944 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.113 7.944 -5.343 1.00 21.05 H new ATOM 840 N GLY A 53 2.112 9.462 -5.152 1.00 15.00 N ATOM 841 CA GLY A 53 3.182 9.559 -6.188 1.00 11.77 C ATOM 842 C GLY A 53 4.589 9.366 -5.710 1.00 11.10 C ATOM 843 O GLY A 53 5.526 9.561 -6.485 1.00 11.25 O ATOM 0 H GLY A 53 1.857 10.358 -4.738 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.978 8.817 -6.960 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.113 10.539 -6.661 1.00 11.77 H new ATOM 847 N ARG A 54 4.750 9.044 -4.411 1.00 8.53 N ATOM 848 CA ARG A 54 6.007 8.796 -3.675 1.00 9.05 C ATOM 849 C ARG A 54 6.264 7.274 -3.752 1.00 8.96 C ATOM 850 O ARG A 54 5.362 6.480 -3.824 1.00 11.60 O ATOM 851 CB ARG A 54 5.995 9.272 -2.139 1.00 7.97 C ATOM 852 CG ARG A 54 5.499 10.761 -2.067 1.00 9.62 C ATOM 853 CD ARG A 54 6.050 11.375 -0.858 1.00 12.20 C ATOM 854 NE ARG A 54 5.339 12.630 -0.552 1.00 18.23 N ATOM 855 CZ ARG A 54 5.802 13.844 -0.816 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.990 14.050 -1.405 1.00 25.50 N ATOM 857 NH2 ARG A 54 5.140 14.938 -0.403 1.00 23.38 N ATOM 0 H ARG A 54 3.940 8.942 -3.800 1.00 8.53 H new ATOM 0 HA ARG A 54 6.795 9.389 -4.139 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.341 8.629 -1.551 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.994 9.187 -1.711 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.821 11.311 -2.952 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.410 10.797 -2.048 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.962 10.685 -0.019 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.113 11.575 -0.995 1.00 12.20 H new ATOM 0 HE ARG A 54 4.425 12.559 -0.105 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.574 13.256 -1.667 1.00 25.50 H new ATOM 0 HH12 ARG A 54 7.309 15.001 -1.590 1.00 25.50 H new ATOM 0 HH21 ARG A 54 4.270 14.840 0.120 1.00 23.38 H new ATOM 0 HH22 ARG A 54 5.507 15.866 -0.613 1.00 23.38 H new ATOM 871 N THR A 55 7.512 6.868 -3.704 1.00 9.05 N ATOM 872 CA THR A 55 7.876 5.457 -3.795 1.00 9.03 C ATOM 873 C THR A 55 8.008 4.812 -2.432 1.00 8.15 C ATOM 874 O THR A 55 7.964 5.460 -1.353 1.00 5.91 O ATOM 875 CB THR A 55 9.282 5.251 -4.444 1.00 11.15 C ATOM 876 OG1 THR A 55 10.439 5.835 -3.818 1.00 11.95 O ATOM 877 CG2 THR A 55 9.248 5.745 -5.916 1.00 11.71 C ATOM 0 H THR A 55 8.308 7.498 -3.601 1.00 9.05 H new ATOM 0 HA THR A 55 7.076 5.014 -4.388 1.00 9.03 H new ATOM 0 HB THR A 55 9.430 4.178 -4.322 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.275 6.786 -3.649 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.228 5.602 -6.370 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.503 5.177 -6.473 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.988 6.803 -5.939 1.00 11.71 H new ATOM 885 N LEU A 56 8.209 3.489 -2.435 1.00 6.91 N ATOM 886 CA LEU A 56 8.469 2.726 -1.227 1.00 8.29 C ATOM 887 C LEU A 56 9.772 3.134 -0.548 1.00 8.05 C ATOM 888 O LEU A 56 9.898 3.050 0.664 1.00 10.17 O ATOM 889 CB LEU A 56 8.349 1.160 -1.518 1.00 6.60 C ATOM 890 CG LEU A 56 6.938 0.677 -2.064 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.021 -0.733 -2.648 1.00 9.85 C ATOM 892 CD2 LEU A 56 5.859 0.766 -0.969 1.00 8.64 C ATOM 0 H LEU A 56 8.194 2.923 -3.283 1.00 6.91 H new ATOM 0 HA LEU A 56 7.697 2.967 -0.496 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.115 0.882 -2.242 1.00 6.60 H new ATOM 0 HB3 LEU A 56 8.569 0.618 -0.598 1.00 6.60 H new ATOM 0 HG LEU A 56 6.648 1.350 -2.871 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.039 -1.034 -3.013 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.734 -0.744 -3.473 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.350 -1.428 -1.875 1.00 9.85 H new ATOM 0 HD21 LEU A 56 4.904 0.429 -1.371 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.142 0.134 -0.127 1.00 8.64 H new ATOM 0 HD23 LEU A 56 5.767 1.799 -0.632 1.00 8.64 H new ATOM 904 N SER A 57 10.848 3.471 -1.370 1.00 8.92 N ATOM 905 CA SER A 57 12.104 3.928 -0.798 1.00 9.00 C ATOM 906 C SER A 57 12.024 5.314 -0.172 1.00 9.44 C ATOM 907 O SER A 57 12.712 5.548 0.838 1.00 10.91 O ATOM 908 CB SER A 57 13.278 3.988 -1.797 1.00 10.32 C ATOM 909 OG SER A 57 13.635 2.719 -2.321 1.00 13.59 O ATOM 0 H SER A 57 10.833 3.423 -2.389 1.00 8.92 H new ATOM 0 HA SER A 57 12.291 3.166 -0.041 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.012 4.651 -2.620 1.00 10.32 H new ATOM 0 HB3 SER A 57 14.145 4.426 -1.302 1.00 10.32 H new ATOM 0 HG SER A 57 14.382 2.822 -2.947 1.00 13.59 H new ATOM 915 N ASP A 58 11.192 6.239 -0.734 1.00 9.11 N ATOM 916 CA ASP A 58 10.960 7.547 -0.121 1.00 7.91 C ATOM 917 C ASP A 58 10.433 7.559 1.356 1.00 9.12 C ATOM 918 O ASP A 58 10.755 8.453 2.129 1.00 8.61 O ATOM 919 CB ASP A 58 9.889 8.389 -0.871 1.00 8.41 C ATOM 920 CG ASP A 58 10.427 8.787 -2.203 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.419 9.554 -2.177 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.867 8.505 -3.283 1.00 11.70 O ATOM 0 H ASP A 58 10.682 6.088 -1.604 1.00 9.11 H new ATOM 0 HA ASP A 58 11.972 7.950 -0.168 1.00 7.91 H new ATOM 0 HB2 ASP A 58 8.973 7.810 -0.993 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.632 9.274 -0.290 1.00 8.41 H new ATOM 927 N TYR A 59 9.641 6.551 1.648 1.00 7.97 N ATOM 928 CA TYR A 59 9.148 6.216 2.968 1.00 8.45 C ATOM 929 C TYR A 59 10.019 5.214 3.741 1.00 10.98 C ATOM 930 O TYR A 59 9.449 4.695 4.745 1.00 12.95 O ATOM 931 CB TYR A 59 7.735 5.684 2.798 1.00 7.94 C ATOM 932 CG TYR A 59 6.793 6.813 2.446 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.692 7.910 3.266 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.040 6.704 1.309 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.826 8.948 2.986 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.146 7.702 1.016 1.00 6.52 C ATOM 937 CZ TYR A 59 4.972 8.768 1.889 1.00 6.76 C ATOM 938 OH TYR A 59 4.024 9.774 1.697 1.00 7.63 O ATOM 0 H TYR A 59 9.305 5.907 0.932 1.00 7.97 H new ATOM 0 HA TYR A 59 9.175 7.119 3.577 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.715 4.926 2.015 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.407 5.200 3.718 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.306 7.962 4.153 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.147 5.850 0.656 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.807 9.850 3.580 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.574 7.659 0.101 1.00 6.52 H new ATOM 0 HH TYR A 59 4.380 10.626 2.025 1.00 7.63 H new ATOM 948 N ASN A 60 11.224 4.856 3.251 1.00 12.38 N ATOM 949 CA ASN A 60 12.093 3.845 3.836 1.00 13.94 C ATOM 950 C ASN A 60 11.564 2.419 4.081 1.00 14.16 C ATOM 951 O ASN A 60 11.816 1.884 5.163 1.00 14.26 O ATOM 952 CB ASN A 60 12.833 4.313 5.098 1.00 19.23 C ATOM 953 CG ASN A 60 13.701 5.522 4.795 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.596 5.561 3.979 1.00 25.45 O ATOM 955 ND2 ASN A 60 13.297 6.604 5.462 1.00 24.09 N ATOM 0 H ASN A 60 11.620 5.282 2.413 1.00 12.38 H new ATOM 0 HA ASN A 60 12.766 3.737 2.986 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.112 4.563 5.877 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.451 3.503 5.484 1.00 19.23 H new ATOM 0 HD21 ASN A 60 13.745 7.504 5.293 1.00 24.09 H new ATOM 0 HD22 ASN A 60 12.540 6.531 6.141 1.00 24.09 H new ATOM 962 N ILE A 61 10.840 1.860 3.143 1.00 11.08 N ATOM 963 CA ILE A 61 10.411 0.430 3.239 1.00 11.78 C ATOM 964 C ILE A 61 11.481 -0.518 2.671 1.00 13.74 C ATOM 965 O ILE A 61 12.118 -0.245 1.658 1.00 14.60 O ATOM 966 CB ILE A 61 9.028 0.104 2.660 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.995 0.996 3.276 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.646 -1.382 2.634 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.900 1.397 2.253 1.00 11.42 C ATOM 0 H ILE A 61 10.523 2.342 2.302 1.00 11.08 H new ATOM 0 HA ILE A 61 10.304 0.262 4.311 1.00 11.78 H new ATOM 0 HB ILE A 61 9.080 0.325 1.594 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.533 0.488 4.123 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.475 1.894 3.666 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.650 -1.494 2.205 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.366 -1.932 2.028 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.650 -1.777 3.650 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.169 2.044 2.738 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.358 1.928 1.419 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.402 0.501 1.883 1.00 11.42 H new ATOM 981 N GLN A 62 11.606 -1.653 3.362 1.00 13.97 N ATOM 982 CA GLN A 62 12.620 -2.685 2.966 1.00 15.52 C ATOM 983 C GLN A 62 11.954 -4.015 2.855 1.00 13.94 C ATOM 984 O GLN A 62 10.784 -4.216 3.217 1.00 12.15 O ATOM 985 CB GLN A 62 13.666 -2.734 4.204 1.00 19.53 C ATOM 986 CG GLN A 62 14.393 -1.436 4.514 1.00 26.38 C ATOM 987 CD GLN A 62 14.882 -1.403 5.978 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.029 -2.349 6.724 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.166 -0.112 6.373 1.00 32.71 N ATOM 0 H GLN A 62 11.045 -1.895 4.178 1.00 13.97 H new ATOM 0 HA GLN A 62 13.097 -2.451 2.014 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.126 -3.047 5.098 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.410 -3.503 3.995 1.00 19.53 H new ATOM 0 HG2 GLN A 62 15.243 -1.323 3.842 1.00 26.38 H new ATOM 0 HG3 GLN A 62 13.728 -0.592 4.331 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.032 0.662 5.722 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.510 0.069 7.316 1.00 32.71 H new ATOM 998 N LYS A 63 12.664 -5.089 2.391 1.00 11.73 N ATOM 999 CA LYS A 63 12.159 -6.363 2.220 1.00 11.97 C ATOM 1000 C LYS A 63 11.615 -7.051 3.484 1.00 10.41 C ATOM 1001 O LYS A 63 12.194 -6.953 4.590 1.00 9.59 O ATOM 1002 CB LYS A 63 13.326 -7.252 1.636 1.00 13.73 C ATOM 1003 CG LYS A 63 13.008 -8.732 1.330 1.00 16.98 C ATOM 1004 CD LYS A 63 14.278 -9.312 0.579 1.00 20.19 C ATOM 1005 CE LYS A 63 15.328 -9.943 1.504 1.00 23.42 C ATOM 1006 NZ LYS A 63 14.808 -11.184 2.059 1.00 25.97 N ATOM 0 H LYS A 63 13.648 -5.017 2.132 1.00 11.73 H new ATOM 0 HA LYS A 63 11.297 -6.262 1.560 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.676 -6.786 0.715 1.00 13.73 H new ATOM 0 HB3 LYS A 63 14.156 -7.225 2.342 1.00 13.73 H new ATOM 0 HG2 LYS A 63 12.812 -9.286 2.248 1.00 16.98 H new ATOM 0 HG3 LYS A 63 12.116 -8.818 0.710 1.00 16.98 H new ATOM 0 HD2 LYS A 63 13.949 -10.061 -0.141 1.00 20.19 H new ATOM 0 HD3 LYS A 63 14.747 -8.509 0.011 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.246 -10.138 0.949 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.582 -9.252 2.308 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 15.576 -11.882 2.129 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 14.417 -11.004 3.006 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 14.059 -11.554 1.440 1.00 25.97 H new ATOM 1020 N GLU A 64 10.441 -7.697 3.338 1.00 10.04 N ATOM 1021 CA GLU A 64 9.671 -8.507 4.289 1.00 10.94 C ATOM 1022 C GLU A 64 8.967 -7.687 5.333 1.00 9.74 C ATOM 1023 O GLU A 64 8.467 -8.255 6.315 1.00 9.42 O ATOM 1024 CB GLU A 64 10.521 -9.594 4.937 1.00 18.31 C ATOM 1025 CG GLU A 64 10.833 -10.628 3.745 1.00 24.16 C ATOM 1026 CD GLU A 64 12.068 -11.514 3.979 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.230 -11.008 4.155 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.920 -12.785 4.126 1.00 32.61 O ATOM 0 H GLU A 64 9.957 -7.655 2.441 1.00 10.04 H new ATOM 0 HA GLU A 64 8.897 -8.992 3.694 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.439 -9.182 5.356 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.988 -10.080 5.754 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.963 -11.269 3.600 1.00 24.16 H new ATOM 0 HG3 GLU A 64 10.973 -10.067 2.821 1.00 24.16 H new ATOM 1035 N SER A 65 8.811 -6.321 5.198 1.00 6.85 N ATOM 1036 CA SER A 65 8.127 -5.475 6.147 1.00 6.90 C ATOM 1037 C SER A 65 6.640 -5.533 5.963 1.00 4.72 C ATOM 1038 O SER A 65 6.119 -5.854 4.888 1.00 3.91 O ATOM 1039 CB SER A 65 8.484 -3.958 5.949 1.00 7.28 C ATOM 1040 OG SER A 65 8.051 -3.113 7.011 1.00 10.56 O ATOM 0 H SER A 65 9.178 -5.806 4.398 1.00 6.85 H new ATOM 0 HA SER A 65 8.440 -5.843 7.124 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.564 -3.862 5.840 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.038 -3.610 5.018 1.00 7.28 H new ATOM 0 HG SER A 65 7.962 -2.194 6.682 1.00 10.56 H new ATOM 1046 N THR A 66 5.945 -5.234 7.072 1.00 4.48 N ATOM 1047 CA THR A 66 4.484 -5.195 7.193 1.00 3.80 C ATOM 1048 C THR A 66 3.933 -3.808 6.919 1.00 4.60 C ATOM 1049 O THR A 66 4.369 -2.845 7.497 1.00 5.33 O ATOM 1050 CB THR A 66 4.039 -5.683 8.512 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.451 -7.003 8.754 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.447 -5.706 8.569 1.00 3.40 C ATOM 0 H THR A 66 6.411 -5.002 7.949 1.00 4.48 H new ATOM 0 HA THR A 66 4.085 -5.866 6.432 1.00 3.80 H new ATOM 0 HB THR A 66 4.474 -5.011 9.251 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.137 -7.287 9.638 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.123 -6.067 9.545 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.063 -4.699 8.409 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.065 -6.368 7.792 1.00 3.40 H new ATOM 1060 N LEU A 67 2.970 -3.683 5.932 1.00 4.17 N ATOM 1061 CA LEU A 67 2.389 -2.405 5.494 1.00 3.85 C ATOM 1062 C LEU A 67 0.926 -2.453 5.783 1.00 3.80 C ATOM 1063 O LEU A 67 0.238 -3.450 5.454 1.00 5.54 O ATOM 1064 CB LEU A 67 2.652 -2.256 3.960 1.00 7.18 C ATOM 1065 CG LEU A 67 4.105 -2.176 3.556 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.174 -1.489 2.227 1.00 8.12 C ATOM 1067 CD2 LEU A 67 5.119 -1.325 4.364 1.00 11.66 C ATOM 0 H LEU A 67 2.591 -4.487 5.432 1.00 4.17 H new ATOM 0 HA LEU A 67 2.830 -1.553 6.012 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.196 -3.102 3.447 1.00 7.18 H new ATOM 0 HB3 LEU A 67 2.145 -1.358 3.607 1.00 7.18 H new ATOM 0 HG LEU A 67 4.392 -3.222 3.664 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.214 -1.416 1.909 1.00 8.12 H new ATOM 0 HD12 LEU A 67 3.608 -2.061 1.492 1.00 8.12 H new ATOM 0 HD13 LEU A 67 3.750 -0.488 2.312 1.00 8.12 H new ATOM 0 HD21 LEU A 67 6.106 -1.404 3.907 1.00 11.66 H new ATOM 0 HD22 LEU A 67 4.801 -0.282 4.363 1.00 11.66 H new ATOM 0 HD23 LEU A 67 5.164 -1.690 5.390 1.00 11.66 H new ATOM 1079 N HIS A 68 0.318 -1.496 6.454 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.103 -1.541 6.796 1.00 4.17 C ATOM 1081 C HIS A 68 -2.028 -0.827 5.758 1.00 5.32 C ATOM 1082 O HIS A 68 -1.897 0.300 5.419 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.341 -1.036 8.261 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.312 -1.570 9.135 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.775 -0.800 9.485 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.110 -2.808 9.639 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.547 -1.611 10.214 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.057 -2.822 10.363 1.00 16.30 N ATOM 0 H HIS A 68 0.793 -0.656 6.783 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.398 -2.589 6.749 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.325 0.054 8.288 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.326 -1.349 8.609 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.765 -3.655 9.495 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.488 -1.300 10.642 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.454 -3.596 10.896 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.024 -1.580 5.209 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.007 -1.115 4.297 1.00 3.97 C ATOM 1098 C LEU A 69 -5.335 -0.800 4.946 1.00 5.07 C ATOM 1099 O LEU A 69 -6.111 -1.694 5.272 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.200 -2.076 3.165 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.296 -1.800 2.091 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.330 -0.351 1.602 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.287 -2.842 0.903 1.00 9.96 C ATOM 0 H LEU A 69 -3.133 -2.570 5.427 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.618 -0.175 3.906 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.247 -2.158 2.643 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.410 -3.053 3.600 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.239 -1.952 2.616 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.117 -0.237 0.857 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.528 0.313 2.444 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.369 -0.095 1.156 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.074 -2.591 0.193 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.321 -2.811 0.400 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -5.460 -3.844 1.296 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.567 0.486 5.146 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.826 0.952 5.746 1.00 6.26 C ATOM 1117 C VAL A 70 -7.868 1.099 4.683 1.00 9.22 C ATOM 1118 O VAL A 70 -7.642 1.766 3.649 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.624 2.237 6.565 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.844 3.032 6.842 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.780 1.921 7.857 1.00 8.54 C ATOM 0 H VAL A 70 -4.911 1.229 4.907 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.179 0.204 6.456 1.00 6.26 H new ATOM 0 HB VAL A 70 -6.058 2.913 5.924 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -7.579 3.914 7.426 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.297 3.343 5.901 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -8.554 2.425 7.404 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.640 2.836 8.433 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -6.307 1.186 8.465 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.808 1.522 7.568 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.058 0.412 4.824 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.006 0.363 3.735 1.00 16.06 C ATOM 1133 C LEU A 71 -11.131 1.262 4.046 1.00 18.09 C ATOM 1134 O LEU A 71 -11.706 1.181 5.131 1.00 19.26 O ATOM 1135 CB LEU A 71 -10.453 -1.078 3.559 1.00 17.10 C ATOM 1136 CG LEU A 71 -9.322 -2.025 3.074 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -9.680 -3.498 3.259 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.051 -1.819 1.591 1.00 19.57 C ATOM 0 H LEU A 71 -9.342 -0.088 5.667 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.563 0.699 2.798 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -10.843 -1.447 4.508 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.274 -1.110 2.843 1.00 17.10 H new ATOM 0 HG LEU A 71 -8.448 -1.781 3.677 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -8.858 -4.120 2.905 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -9.858 -3.699 4.315 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -10.580 -3.728 2.689 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.255 -2.491 1.270 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.957 -2.031 1.023 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.746 -0.787 1.417 1.00 19.57 H new