USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=17 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 55 THR OG1 : rot 180:sc= 0.00329 USER MOD Set 1.2: A 57 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.938 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.991 X(o=1.9,f=1.9) USER MOD Set 3.1: A 7 THR OG1 : rot 154:sc= 1.31 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.02 USER MOD Set 4.1: A 6 LYS NZ :NH3+ 172:sc= 1.18 (180deg=0) USER MOD Set 4.2: A 12 THR OG1 : rot 130:sc= 1.01 USER MOD Single : A 1 MET CE :methyl -167:sc= -0.214 (180deg=-0.288) USER MOD Single : A 1 MET N :NH3+ -170:sc= 2.54 (180deg=2.35) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -143:sc= 1.18 (180deg=0.194) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00719 USER MOD Single : A 27 LYS NZ :NH3+ -116:sc= 3.1 (180deg=1.73) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.27) USER MOD Single : A 31 GLN : amide:sc= -0.431 X(o=-0.43,f=-0.51) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.149 X(o=-0.15,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.22 K(o=1.2,f=-1.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.287 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=-0.22) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 106:sc= 1.29 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=-0.038) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.606 -6.544 -5.193 1.00 9.67 N ATOM 2 CA MET A 1 11.646 -6.927 -3.719 1.00 10.38 C ATOM 3 C MET A 1 10.276 -7.283 -3.164 1.00 9.62 C ATOM 4 O MET A 1 9.212 -6.967 -3.699 1.00 9.62 O ATOM 5 CB MET A 1 12.264 -5.768 -2.891 1.00 13.77 C ATOM 6 CG MET A 1 11.510 -4.449 -2.831 1.00 16.29 C ATOM 7 SD MET A 1 12.235 -3.320 -1.603 1.00 17.17 S ATOM 8 CE MET A 1 10.709 -2.344 -1.469 1.00 16.11 C ATOM 0 H1 MET A 1 12.577 -6.477 -5.561 1.00 9.67 H new ATOM 0 H2 MET A 1 11.083 -7.268 -5.726 1.00 9.67 H new ATOM 0 H3 MET A 1 11.131 -5.625 -5.300 1.00 9.67 H new ATOM 0 HA MET A 1 12.265 -7.820 -3.638 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.397 -6.123 -1.869 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.258 -5.566 -3.290 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.523 -3.977 -3.813 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.466 -4.637 -2.582 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.917 -1.414 -0.939 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.333 -2.117 -2.467 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.959 -2.914 -0.920 1.00 16.11 H new ATOM 20 N GLN A 2 10.269 -7.925 -2.019 1.00 9.27 N ATOM 21 CA GLN A 2 8.984 -8.460 -1.507 1.00 9.07 C ATOM 22 C GLN A 2 8.459 -7.702 -0.249 1.00 8.72 C ATOM 23 O GLN A 2 9.234 -7.416 0.664 1.00 8.22 O ATOM 24 CB GLN A 2 9.169 -9.969 -1.237 1.00 14.46 C ATOM 25 CG GLN A 2 7.965 -10.588 -0.522 1.00 17.01 C ATOM 26 CD GLN A 2 8.163 -12.152 -0.327 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.360 -12.604 0.779 1.00 21.89 O ATOM 28 NE2 GLN A 2 8.094 -12.973 -1.418 1.00 19.49 N ATOM 0 H GLN A 2 11.086 -8.096 -1.432 1.00 9.27 H new ATOM 0 HA GLN A 2 8.213 -8.305 -2.262 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.332 -10.487 -2.182 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.064 -10.120 -0.633 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.829 -10.111 0.449 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.059 -10.401 -1.099 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.927 -12.578 -2.344 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.209 -13.980 -1.306 1.00 19.49 H new ATOM 37 N ILE A 3 7.142 -7.348 -0.209 1.00 5.87 N ATOM 38 CA ILE A 3 6.504 -6.632 0.909 1.00 5.07 C ATOM 39 C ILE A 3 5.197 -7.301 1.278 1.00 4.01 C ATOM 40 O ILE A 3 4.743 -8.128 0.495 1.00 4.61 O ATOM 41 CB ILE A 3 6.318 -5.114 0.631 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.474 -4.791 -0.605 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.633 -4.291 0.713 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.943 -3.345 -0.452 1.00 10.83 C ATOM 0 H ILE A 3 6.495 -7.560 -0.968 1.00 5.87 H new ATOM 0 HA ILE A 3 7.180 -6.692 1.762 1.00 5.07 H new ATOM 0 HB ILE A 3 5.713 -4.770 1.470 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.073 -4.884 -1.511 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.646 -5.494 -0.696 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.419 -3.242 0.507 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.059 -4.385 1.712 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.344 -4.668 -0.022 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.337 -3.086 -1.320 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.335 -3.274 0.450 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.783 -2.655 -0.378 1.00 10.83 H new ATOM 56 N PHE A 4 4.678 -6.965 2.505 1.00 4.55 N ATOM 57 CA PHE A 4 3.452 -7.610 2.972 1.00 4.68 C ATOM 58 C PHE A 4 2.408 -6.566 3.317 1.00 5.30 C ATOM 59 O PHE A 4 2.645 -5.541 3.925 1.00 5.58 O ATOM 60 CB PHE A 4 3.580 -8.505 4.216 1.00 4.83 C ATOM 61 CG PHE A 4 4.868 -9.300 4.196 1.00 7.97 C ATOM 62 CD1 PHE A 4 5.069 -10.315 3.299 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.885 -8.981 5.142 1.00 8.34 C ATOM 64 CE1 PHE A 4 6.193 -11.059 3.325 1.00 9.10 C ATOM 65 CE2 PHE A 4 7.070 -9.692 5.033 1.00 10.61 C ATOM 66 CZ PHE A 4 7.255 -10.724 4.150 1.00 8.90 C ATOM 0 H PHE A 4 5.084 -6.282 3.145 1.00 4.55 H new ATOM 0 HA PHE A 4 3.179 -8.251 2.133 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.545 -7.889 5.114 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.731 -9.187 4.264 1.00 4.83 H new ATOM 0 HD1 PHE A 4 4.313 -10.523 2.557 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.740 -8.227 5.902 1.00 8.34 H new ATOM 0 HE1 PHE A 4 6.267 -11.931 2.692 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.892 -9.418 5.678 1.00 10.61 H new ATOM 0 HZ PHE A 4 8.193 -11.256 4.099 1.00 8.90 H new ATOM 76 N VAL A 5 1.145 -6.703 2.916 1.00 4.44 N ATOM 77 CA VAL A 5 0.014 -5.779 3.254 1.00 3.87 C ATOM 78 C VAL A 5 -0.917 -6.523 4.192 1.00 4.93 C ATOM 79 O VAL A 5 -1.262 -7.659 3.990 1.00 6.84 O ATOM 80 CB VAL A 5 -0.762 -5.289 2.096 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.776 -4.219 2.598 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.307 -4.512 1.258 1.00 9.13 C ATOM 0 H VAL A 5 0.850 -7.481 2.326 1.00 4.44 H new ATOM 0 HA VAL A 5 0.455 -4.889 3.702 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.282 -6.085 1.563 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.358 -3.846 1.755 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.446 -4.668 3.331 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.235 -3.393 3.059 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.161 -4.100 0.364 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.721 -3.701 1.858 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.107 -5.193 0.968 1.00 9.13 H new ATOM 92 N LYS A 6 -1.364 -5.867 5.305 1.00 6.04 N ATOM 93 CA LYS A 6 -2.243 -6.561 6.314 1.00 6.12 C ATOM 94 C LYS A 6 -3.572 -5.823 6.469 1.00 6.57 C ATOM 95 O LYS A 6 -3.606 -4.596 6.649 1.00 5.76 O ATOM 96 CB LYS A 6 -1.607 -6.822 7.682 1.00 7.45 C ATOM 97 CG LYS A 6 -0.428 -7.872 7.670 1.00 11.12 C ATOM 98 CD LYS A 6 0.028 -8.362 9.078 1.00 14.54 C ATOM 99 CE LYS A 6 1.145 -9.474 9.050 1.00 18.84 C ATOM 100 NZ LYS A 6 0.586 -10.888 8.966 1.00 20.55 N ATOM 0 H LYS A 6 -1.144 -4.896 5.527 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.408 -7.554 5.896 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.232 -5.879 8.079 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.380 -7.171 8.367 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.737 -8.737 7.083 1.00 11.12 H new ATOM 0 HG3 LYS A 6 0.428 -7.430 7.160 1.00 11.12 H new ATOM 0 HD2 LYS A 6 0.397 -7.507 9.645 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.839 -8.749 9.613 1.00 14.54 H new ATOM 0 HE2 LYS A 6 1.801 -9.299 8.197 1.00 18.84 H new ATOM 0 HE3 LYS A 6 1.758 -9.386 9.947 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.365 -11.561 8.815 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.095 -11.120 9.853 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -0.084 -10.950 8.173 1.00 20.55 H new ATOM 114 N THR A 7 -4.731 -6.513 6.293 1.00 7.41 N ATOM 115 CA THR A 7 -6.003 -5.856 6.071 1.00 7.48 C ATOM 116 C THR A 7 -6.802 -6.016 7.293 1.00 8.75 C ATOM 117 O THR A 7 -6.554 -6.913 8.112 1.00 8.58 O ATOM 118 CB THR A 7 -6.760 -6.470 4.932 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.166 -7.864 5.063 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.919 -6.410 3.667 1.00 9.17 C ATOM 0 H THR A 7 -4.787 -7.531 6.305 1.00 7.41 H new ATOM 0 HA THR A 7 -5.819 -4.809 5.828 1.00 7.48 H new ATOM 0 HB THR A 7 -7.674 -5.876 4.911 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.964 -8.025 4.517 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.472 -6.857 2.841 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.691 -5.371 3.431 1.00 9.17 H new ATOM 0 HG23 THR A 7 -4.990 -6.959 3.821 1.00 9.17 H new ATOM 128 N LEU A 8 -7.834 -5.170 7.517 1.00 9.84 N ATOM 129 CA LEU A 8 -8.771 -5.332 8.689 1.00 14.15 C ATOM 130 C LEU A 8 -9.867 -6.331 8.365 1.00 17.37 C ATOM 131 O LEU A 8 -10.786 -6.547 9.183 1.00 17.01 O ATOM 132 CB LEU A 8 -9.416 -4.005 9.081 1.00 16.63 C ATOM 133 CG LEU A 8 -8.456 -2.864 9.361 1.00 18.88 C ATOM 134 CD1 LEU A 8 -9.327 -1.553 9.478 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.590 -3.089 10.614 1.00 18.59 C ATOM 0 H LEU A 8 -8.050 -4.373 6.918 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.174 -5.695 9.525 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.091 -3.700 8.281 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -10.027 -4.167 9.969 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.736 -2.786 8.547 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.677 -0.701 9.680 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.862 -1.387 8.543 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.044 -1.664 10.292 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.927 -2.236 10.756 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.234 -3.197 11.487 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.995 -3.994 10.488 1.00 18.59 H new ATOM 147 N THR A 9 -9.765 -7.021 7.172 1.00 18.33 N ATOM 148 CA THR A 9 -10.585 -8.184 6.742 1.00 19.24 C ATOM 149 C THR A 9 -9.789 -9.526 7.107 1.00 19.48 C ATOM 150 O THR A 9 -10.247 -10.673 6.897 1.00 23.14 O ATOM 151 CB THR A 9 -10.924 -8.199 5.255 1.00 18.97 C ATOM 152 OG1 THR A 9 -9.753 -8.091 4.460 1.00 20.24 O ATOM 153 CG2 THR A 9 -11.810 -6.931 5.121 1.00 19.70 C ATOM 0 H THR A 9 -9.077 -6.759 6.466 1.00 18.33 H new ATOM 0 HA THR A 9 -11.536 -8.109 7.269 1.00 19.24 H new ATOM 0 HB THR A 9 -11.408 -9.117 4.921 1.00 18.97 H new ATOM 0 HG1 THR A 9 -9.999 -8.105 3.512 1.00 20.24 H new ATOM 0 HG21 THR A 9 -12.129 -6.818 4.085 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.686 -7.030 5.762 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.237 -6.054 5.422 1.00 19.70 H new ATOM 161 N GLY A 10 -8.582 -9.366 7.684 1.00 19.43 N ATOM 162 CA GLY A 10 -7.882 -10.510 8.295 1.00 18.74 C ATOM 163 C GLY A 10 -6.927 -11.277 7.453 1.00 17.62 C ATOM 164 O GLY A 10 -6.373 -12.288 7.866 1.00 19.74 O ATOM 0 H GLY A 10 -8.082 -8.478 7.739 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -7.338 -10.142 9.165 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -8.637 -11.206 8.661 1.00 18.74 H new ATOM 168 N LYS A 11 -6.615 -10.790 6.252 1.00 13.56 N ATOM 169 CA LYS A 11 -5.727 -11.340 5.231 1.00 11.91 C ATOM 170 C LYS A 11 -4.332 -10.777 5.389 1.00 10.18 C ATOM 171 O LYS A 11 -4.129 -9.656 5.838 1.00 9.10 O ATOM 172 CB LYS A 11 -6.146 -10.933 3.793 1.00 13.43 C ATOM 173 CG LYS A 11 -7.631 -11.272 3.576 1.00 16.69 C ATOM 174 CD LYS A 11 -8.083 -11.339 2.092 1.00 17.92 C ATOM 175 CE LYS A 11 -9.594 -11.491 1.822 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.834 -11.792 0.381 1.00 21.93 N ATOM 0 H LYS A 11 -7.021 -9.908 5.939 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.774 -12.421 5.363 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -5.980 -9.866 3.642 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -5.532 -11.458 3.061 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -7.841 -12.232 4.047 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -8.237 -10.526 4.090 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.740 -10.433 1.593 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.569 -12.176 1.620 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -10.002 -12.290 2.441 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -10.114 -10.575 2.101 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -10.699 -11.308 0.065 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.025 -11.460 -0.182 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.946 -12.818 0.255 1.00 21.93 H new ATOM 190 N THR A 12 -3.294 -11.509 4.843 1.00 9.63 N ATOM 191 CA THR A 12 -1.953 -10.974 4.639 1.00 9.85 C ATOM 192 C THR A 12 -1.574 -11.117 3.175 1.00 11.66 C ATOM 193 O THR A 12 -1.568 -12.204 2.668 1.00 12.33 O ATOM 194 CB THR A 12 -0.892 -11.632 5.539 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.257 -11.509 6.933 1.00 10.91 O ATOM 196 CG2 THR A 12 0.491 -10.983 5.349 1.00 9.63 C ATOM 0 H THR A 12 -3.395 -12.479 4.544 1.00 9.63 H new ATOM 0 HA THR A 12 -1.976 -9.922 4.922 1.00 9.85 H new ATOM 0 HB THR A 12 -0.843 -12.682 5.252 1.00 10.85 H new ATOM 0 HG1 THR A 12 -1.196 -12.386 7.366 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.215 -11.473 6.000 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.804 -11.092 4.311 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.434 -9.924 5.602 1.00 9.63 H new ATOM 204 N ILE A 13 -1.357 -10.021 2.494 1.00 10.42 N ATOM 205 CA ILE A 13 -1.282 -10.025 1.072 1.00 11.84 C ATOM 206 C ILE A 13 0.081 -9.665 0.648 1.00 10.55 C ATOM 207 O ILE A 13 0.523 -8.595 0.954 1.00 11.92 O ATOM 208 CB ILE A 13 -2.195 -8.900 0.542 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.570 -8.976 1.180 1.00 14.87 C ATOM 210 CG2 ILE A 13 -2.363 -9.021 -1.024 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.655 -7.941 0.736 1.00 16.46 C ATOM 0 H ILE A 13 -1.228 -9.103 2.920 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.566 -11.010 0.702 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.727 -7.948 0.795 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -3.967 -9.974 0.994 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.441 -8.880 2.258 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -3.010 -8.221 -1.383 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -1.387 -8.941 -1.502 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.809 -9.985 -1.269 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.580 -8.127 1.282 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -4.304 -6.931 0.950 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.838 -8.042 -0.334 1.00 16.46 H new ATOM 223 N THR A 14 0.811 -10.605 0.017 1.00 9.39 N ATOM 224 CA THR A 14 2.190 -10.443 -0.341 1.00 9.63 C ATOM 225 C THR A 14 2.289 -9.828 -1.736 1.00 11.20 C ATOM 226 O THR A 14 1.665 -10.297 -2.722 1.00 11.63 O ATOM 227 CB THR A 14 3.005 -11.740 -0.389 1.00 10.38 C ATOM 228 OG1 THR A 14 2.814 -12.371 0.868 1.00 16.30 O ATOM 229 CG2 THR A 14 4.573 -11.450 -0.423 1.00 11.66 C ATOM 0 H THR A 14 0.428 -11.511 -0.254 1.00 9.39 H new ATOM 0 HA THR A 14 2.604 -9.812 0.446 1.00 9.63 H new ATOM 0 HB THR A 14 2.695 -12.311 -1.265 1.00 10.38 H new ATOM 0 HG1 THR A 14 3.316 -13.213 0.891 1.00 16.30 H new ATOM 0 HG21 THR A 14 5.117 -12.394 -0.457 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.815 -10.860 -1.307 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.860 -10.897 0.472 1.00 11.66 H new ATOM 237 N LEU A 15 3.147 -8.763 -1.908 1.00 8.29 N ATOM 238 CA LEU A 15 3.304 -8.124 -3.220 1.00 9.03 C ATOM 239 C LEU A 15 4.754 -8.050 -3.597 1.00 8.59 C ATOM 240 O LEU A 15 5.591 -7.879 -2.738 1.00 7.79 O ATOM 241 CB LEU A 15 2.692 -6.714 -3.148 1.00 11.08 C ATOM 242 CG LEU A 15 1.256 -6.585 -2.690 1.00 15.79 C ATOM 243 CD1 LEU A 15 0.935 -5.127 -2.490 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.210 -7.308 -3.518 1.00 15.27 C ATOM 0 H LEU A 15 3.714 -8.356 -1.164 1.00 8.29 H new ATOM 0 HA LEU A 15 2.793 -8.711 -3.983 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.311 -6.115 -2.479 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.768 -6.266 -4.139 1.00 11.08 H new ATOM 0 HG LEU A 15 1.194 -7.122 -1.744 1.00 15.79 H new ATOM 0 HD11 LEU A 15 -0.099 -5.024 -2.160 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.601 -4.708 -1.735 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.070 -4.592 -3.430 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.777 -7.138 -3.087 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.230 -6.930 -4.540 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.424 -8.377 -3.522 1.00 15.27 H new ATOM 256 N GLU A 16 5.045 -8.030 -4.900 1.00 11.04 N ATOM 257 CA GLU A 16 6.407 -7.888 -5.470 1.00 11.50 C ATOM 258 C GLU A 16 6.476 -6.530 -5.999 1.00 10.13 C ATOM 259 O GLU A 16 5.732 -6.157 -6.910 1.00 9.83 O ATOM 260 CB GLU A 16 6.720 -8.942 -6.524 1.00 17.22 C ATOM 261 CG GLU A 16 8.068 -8.973 -7.302 1.00 23.33 C ATOM 262 CD GLU A 16 9.348 -9.218 -6.526 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.377 -10.217 -5.700 1.00 28.86 O ATOM 264 OE2 GLU A 16 10.365 -8.534 -6.668 1.00 28.90 O ATOM 0 H GLU A 16 4.325 -8.114 -5.617 1.00 11.04 H new ATOM 0 HA GLU A 16 7.166 -8.051 -4.705 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.620 -9.911 -6.035 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.930 -8.879 -7.272 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.991 -9.746 -8.067 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.173 -8.020 -7.821 1.00 23.33 H new ATOM 271 N VAL A 17 7.415 -5.686 -5.456 1.00 8.99 N ATOM 272 CA VAL A 17 7.540 -4.245 -5.753 1.00 8.85 C ATOM 273 C VAL A 17 8.994 -3.850 -6.031 1.00 8.04 C ATOM 274 O VAL A 17 9.869 -4.603 -5.666 1.00 8.99 O ATOM 275 CB VAL A 17 6.944 -3.405 -4.605 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.437 -3.707 -4.337 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.746 -3.756 -3.276 1.00 10.54 C ATOM 0 H VAL A 17 8.113 -6.011 -4.787 1.00 8.99 H new ATOM 0 HA VAL A 17 6.972 -4.039 -6.660 1.00 8.85 H new ATOM 0 HB VAL A 17 7.027 -2.357 -4.892 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.081 -3.082 -3.518 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.858 -3.493 -5.235 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.318 -4.757 -4.071 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.345 -3.175 -2.445 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.643 -4.819 -3.059 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.800 -3.514 -3.413 1.00 10.54 H new ATOM 287 N GLU A 18 9.237 -2.739 -6.779 1.00 7.29 N ATOM 288 CA GLU A 18 10.512 -2.090 -6.674 1.00 7.08 C ATOM 289 C GLU A 18 10.573 -1.014 -5.533 1.00 6.45 C ATOM 290 O GLU A 18 9.517 -0.486 -5.211 1.00 5.28 O ATOM 291 CB GLU A 18 10.937 -1.419 -8.018 1.00 10.28 C ATOM 292 CG GLU A 18 11.100 -2.452 -9.187 1.00 12.65 C ATOM 293 CD GLU A 18 11.834 -1.976 -10.456 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.026 -1.594 -10.408 1.00 14.33 O ATOM 295 OE2 GLU A 18 11.136 -1.935 -11.525 1.00 18.17 O ATOM 0 H GLU A 18 8.577 -2.311 -7.428 1.00 7.29 H new ATOM 0 HA GLU A 18 11.209 -2.890 -6.424 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.192 -0.674 -8.298 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.879 -0.890 -7.873 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.630 -3.321 -8.797 1.00 12.65 H new ATOM 0 HG3 GLU A 18 10.106 -2.790 -9.479 1.00 12.65 H new ATOM 302 N PRO A 19 11.700 -0.586 -4.968 1.00 7.24 N ATOM 303 CA PRO A 19 11.706 0.628 -4.087 1.00 7.07 C ATOM 304 C PRO A 19 11.342 1.908 -4.752 1.00 6.65 C ATOM 305 O PRO A 19 10.878 2.801 -3.993 1.00 6.37 O ATOM 306 CB PRO A 19 13.226 0.701 -3.695 1.00 7.61 C ATOM 307 CG PRO A 19 14.006 -0.148 -4.708 1.00 8.16 C ATOM 308 CD PRO A 19 13.006 -1.230 -5.127 1.00 7.49 C ATOM 0 HA PRO A 19 10.973 0.529 -3.286 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.576 1.733 -3.710 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.379 0.327 -2.683 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.332 0.447 -5.561 1.00 8.16 H new ATOM 0 HG3 PRO A 19 14.901 -0.582 -4.261 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.171 -1.549 -6.156 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.092 -2.118 -4.500 1.00 7.49 H new ATOM 316 N SER A 20 11.516 1.957 -6.114 1.00 6.80 N ATOM 317 CA SER A 20 11.263 3.099 -6.952 1.00 6.28 C ATOM 318 C SER A 20 9.837 3.167 -7.314 1.00 8.45 C ATOM 319 O SER A 20 9.414 4.193 -7.881 1.00 7.26 O ATOM 320 CB SER A 20 12.155 3.069 -8.183 1.00 8.57 C ATOM 321 OG SER A 20 11.880 1.862 -8.868 1.00 11.13 O ATOM 0 H SER A 20 11.851 1.152 -6.643 1.00 6.80 H new ATOM 0 HA SER A 20 11.506 4.004 -6.394 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.957 3.929 -8.823 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.206 3.119 -7.898 1.00 8.57 H new ATOM 0 HG SER A 20 12.438 1.808 -9.672 1.00 11.13 H new ATOM 327 N ASP A 21 9.068 2.086 -7.049 1.00 7.50 N ATOM 328 CA ASP A 21 7.643 2.120 -7.371 1.00 7.70 C ATOM 329 C ASP A 21 6.867 3.131 -6.516 1.00 7.08 C ATOM 330 O ASP A 21 7.185 3.297 -5.314 1.00 8.11 O ATOM 331 CB ASP A 21 6.965 0.731 -7.222 1.00 11.00 C ATOM 332 CG ASP A 21 7.417 -0.329 -8.199 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.990 0.068 -9.283 1.00 18.03 O ATOM 334 OD2 ASP A 21 7.087 -1.528 -8.017 1.00 14.36 O ATOM 0 H ASP A 21 9.402 1.218 -6.630 1.00 7.50 H new ATOM 0 HA ASP A 21 7.604 2.430 -8.415 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.145 0.367 -6.211 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.888 0.860 -7.328 1.00 11.00 H new ATOM 339 N THR A 22 5.834 3.835 -7.068 1.00 5.37 N ATOM 340 CA THR A 22 5.013 4.796 -6.316 1.00 6.01 C ATOM 341 C THR A 22 3.987 3.963 -5.533 1.00 8.01 C ATOM 342 O THR A 22 3.810 2.767 -5.823 1.00 8.11 O ATOM 343 CB THR A 22 4.240 5.838 -7.103 1.00 8.92 C ATOM 344 OG1 THR A 22 3.031 5.386 -7.786 1.00 10.22 O ATOM 345 CG2 THR A 22 5.168 6.402 -8.153 1.00 9.65 C ATOM 0 H THR A 22 5.559 3.742 -8.046 1.00 5.37 H new ATOM 0 HA THR A 22 5.719 5.377 -5.723 1.00 6.01 H new ATOM 0 HB THR A 22 3.898 6.557 -6.359 1.00 8.92 H new ATOM 0 HG1 THR A 22 2.619 6.141 -8.256 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.641 7.156 -8.737 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.032 6.857 -7.669 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.502 5.600 -8.812 1.00 9.65 H new ATOM 353 N ILE A 23 3.400 4.628 -4.486 1.00 8.32 N ATOM 354 CA ILE A 23 2.303 4.032 -3.701 1.00 9.92 C ATOM 355 C ILE A 23 1.101 3.664 -4.585 1.00 10.01 C ATOM 356 O ILE A 23 0.503 2.596 -4.396 1.00 8.71 O ATOM 357 CB ILE A 23 1.928 4.899 -2.585 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.135 5.405 -1.695 1.00 11.38 C ATOM 359 CG2 ILE A 23 0.888 4.339 -1.644 1.00 10.90 C ATOM 360 CD1 ILE A 23 3.856 4.231 -1.041 1.00 12.30 C ATOM 0 H ILE A 23 3.674 5.562 -4.182 1.00 8.32 H new ATOM 0 HA ILE A 23 2.667 3.097 -3.276 1.00 9.92 H new ATOM 0 HB ILE A 23 1.498 5.737 -3.134 1.00 10.78 H new ATOM 0 HG12 ILE A 23 3.835 5.970 -2.311 1.00 11.38 H new ATOM 0 HG13 ILE A 23 2.766 6.085 -0.927 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.684 5.062 -0.854 1.00 10.90 H new ATOM 0 HG22 ILE A 23 -0.030 4.136 -2.196 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.258 3.414 -1.202 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.682 4.603 -0.434 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.159 3.683 -0.407 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.244 3.566 -1.813 1.00 12.30 H new ATOM 372 N GLU A 24 0.807 4.492 -5.659 1.00 9.54 N ATOM 373 CA GLU A 24 -0.264 4.166 -6.593 1.00 11.81 C ATOM 374 C GLU A 24 -0.019 2.786 -7.314 1.00 11.14 C ATOM 375 O GLU A 24 -0.833 1.866 -7.408 1.00 10.62 O ATOM 376 CB GLU A 24 -0.433 5.237 -7.727 1.00 19.24 C ATOM 377 CG GLU A 24 -1.711 5.074 -8.588 1.00 27.76 C ATOM 378 CD GLU A 24 -1.797 6.166 -9.652 1.00 32.92 C ATOM 379 OE1 GLU A 24 -2.054 7.346 -9.281 1.00 34.80 O ATOM 380 OE2 GLU A 24 -1.673 5.919 -10.834 1.00 36.51 O ATOM 0 H GLU A 24 1.302 5.359 -5.866 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.161 4.131 -5.974 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.441 6.228 -7.273 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.437 5.193 -8.382 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.709 4.095 -9.066 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.593 5.114 -7.948 1.00 27.76 H new ATOM 387 N ASN A 25 1.227 2.572 -7.719 1.00 9.43 N ATOM 388 CA ASN A 25 1.659 1.376 -8.381 1.00 10.96 C ATOM 389 C ASN A 25 1.644 0.119 -7.466 1.00 9.68 C ATOM 390 O ASN A 25 1.370 -0.991 -7.939 1.00 9.33 O ATOM 391 CB ASN A 25 3.066 1.524 -9.040 1.00 16.78 C ATOM 392 CG ASN A 25 2.976 2.414 -10.278 1.00 22.31 C ATOM 393 OD1 ASN A 25 2.923 2.017 -11.463 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.892 3.739 -9.986 1.00 24.70 N ATOM 0 H ASN A 25 1.975 3.252 -7.586 1.00 9.43 H new ATOM 0 HA ASN A 25 0.920 1.225 -9.167 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.768 1.953 -8.325 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.452 0.543 -9.316 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.785 4.421 -10.737 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.936 4.051 -9.016 1.00 24.70 H new ATOM 401 N VAL A 26 1.939 0.270 -6.177 1.00 6.52 N ATOM 402 CA VAL A 26 1.765 -0.836 -5.208 1.00 5.53 C ATOM 403 C VAL A 26 0.312 -1.042 -5.023 1.00 4.42 C ATOM 404 O VAL A 26 -0.035 -2.216 -5.121 1.00 3.40 O ATOM 405 CB VAL A 26 2.453 -0.456 -3.885 1.00 3.86 C ATOM 406 CG1 VAL A 26 2.280 -1.543 -2.864 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.909 -0.235 -4.091 1.00 8.12 C ATOM 0 H VAL A 26 2.297 1.135 -5.771 1.00 6.52 H new ATOM 0 HA VAL A 26 2.217 -1.761 -5.566 1.00 5.53 H new ATOM 0 HB VAL A 26 1.987 0.463 -3.529 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.774 -1.253 -1.937 1.00 7.25 H new ATOM 0 HG12 VAL A 26 1.218 -1.699 -2.676 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.722 -2.467 -3.237 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.374 0.032 -3.142 1.00 8.12 H new ATOM 0 HG22 VAL A 26 4.365 -1.148 -4.474 1.00 8.12 H new ATOM 0 HG23 VAL A 26 4.057 0.573 -4.808 1.00 8.12 H new ATOM 417 N LYS A 27 -0.512 -0.066 -4.852 1.00 2.64 N ATOM 418 CA LYS A 27 -1.945 -0.165 -4.680 1.00 4.14 C ATOM 419 C LYS A 27 -2.592 -0.770 -5.899 1.00 5.58 C ATOM 420 O LYS A 27 -3.636 -1.429 -5.767 1.00 4.11 O ATOM 421 CB LYS A 27 -2.683 1.199 -4.430 1.00 3.97 C ATOM 422 CG LYS A 27 -2.396 1.978 -3.114 1.00 7.45 C ATOM 423 CD LYS A 27 -3.210 3.274 -3.246 1.00 9.02 C ATOM 424 CE LYS A 27 -3.052 4.257 -2.042 1.00 12.90 C ATOM 425 NZ LYS A 27 -4.157 5.252 -2.097 1.00 15.47 N ATOM 0 H LYS A 27 -0.190 0.901 -4.825 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.051 -0.785 -3.790 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.445 1.860 -5.263 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -3.755 1.006 -4.472 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -2.702 1.405 -2.239 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.332 2.188 -3.001 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -2.910 3.786 -4.160 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.264 3.018 -3.355 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.082 3.710 -1.100 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -2.086 4.760 -2.088 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.762 6.201 -2.252 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.801 5.013 -2.878 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.682 5.238 -1.199 1.00 15.47 H new ATOM 439 N ALA A 28 -1.964 -0.626 -7.088 1.00 6.61 N ATOM 440 CA ALA A 28 -2.439 -1.289 -8.322 1.00 7.74 C ATOM 441 C ALA A 28 -2.518 -2.816 -8.206 1.00 9.17 C ATOM 442 O ALA A 28 -3.429 -3.481 -8.700 1.00 11.45 O ATOM 443 CB ALA A 28 -1.596 -0.823 -9.509 1.00 7.68 C ATOM 0 H ALA A 28 -1.128 -0.057 -7.218 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.472 -0.984 -8.490 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -1.946 -1.312 -10.418 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -1.689 0.257 -9.619 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.551 -1.082 -9.337 1.00 7.68 H new ATOM 449 N LYS A 29 -1.506 -3.362 -7.558 1.00 8.96 N ATOM 450 CA LYS A 29 -1.286 -4.739 -7.418 1.00 7.90 C ATOM 451 C LYS A 29 -2.272 -5.356 -6.399 1.00 6.92 C ATOM 452 O LYS A 29 -2.767 -6.504 -6.497 1.00 6.87 O ATOM 453 CB LYS A 29 0.167 -5.003 -6.953 1.00 10.28 C ATOM 454 CG LYS A 29 1.245 -4.403 -7.852 1.00 14.94 C ATOM 455 CD LYS A 29 2.777 -4.857 -7.663 1.00 19.69 C ATOM 456 CE LYS A 29 3.796 -3.811 -8.143 1.00 22.63 C ATOM 457 NZ LYS A 29 3.460 -3.598 -9.577 1.00 24.98 N ATOM 0 H LYS A 29 -0.790 -2.800 -7.099 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.449 -5.206 -8.389 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.290 -4.604 -5.946 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.324 -6.080 -6.890 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.966 -4.617 -8.884 1.00 14.94 H new ATOM 0 HG3 LYS A 29 1.208 -3.321 -7.729 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.956 -5.069 -6.609 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.941 -5.787 -8.207 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.713 -2.885 -7.574 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.819 -4.168 -8.023 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.271 -3.165 -10.063 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.238 -4.512 -10.021 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.636 -2.968 -9.651 1.00 24.98 H new ATOM 471 N ILE A 30 -2.628 -4.498 -5.412 1.00 4.57 N ATOM 472 CA ILE A 30 -3.781 -4.755 -4.467 1.00 5.58 C ATOM 473 C ILE A 30 -5.073 -4.831 -5.120 1.00 7.26 C ATOM 474 O ILE A 30 -5.902 -5.705 -4.824 1.00 9.46 O ATOM 475 CB ILE A 30 -3.797 -3.831 -3.270 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.377 -3.772 -2.662 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.799 -4.336 -2.199 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.243 -2.861 -1.462 1.00 2.00 C ATOM 0 H ILE A 30 -2.143 -3.618 -5.237 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.589 -5.755 -4.078 1.00 5.58 H new ATOM 0 HB ILE A 30 -4.110 -2.838 -3.593 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.078 -4.779 -2.372 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.680 -3.442 -3.432 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.794 -3.656 -1.347 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.801 -4.374 -2.627 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.507 -5.333 -1.869 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.214 -2.882 -1.102 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.507 -1.843 -1.747 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.911 -3.201 -0.671 1.00 2.00 H new ATOM 490 N GLN A 31 -5.271 -4.022 -6.152 1.00 7.06 N ATOM 491 CA GLN A 31 -6.478 -4.022 -7.024 1.00 8.67 C ATOM 492 C GLN A 31 -6.627 -5.267 -7.846 1.00 10.90 C ATOM 493 O GLN A 31 -7.649 -5.905 -7.786 1.00 9.63 O ATOM 494 CB GLN A 31 -6.473 -2.796 -7.957 1.00 9.12 C ATOM 495 CG GLN A 31 -7.843 -2.490 -8.521 1.00 10.76 C ATOM 496 CD GLN A 31 -7.961 -1.223 -9.456 1.00 13.78 C ATOM 497 OE1 GLN A 31 -6.995 -0.646 -9.952 1.00 14.48 O ATOM 498 NE2 GLN A 31 -9.275 -0.797 -9.703 1.00 14.76 N ATOM 0 H GLN A 31 -4.586 -3.319 -6.429 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.330 -3.981 -6.346 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.108 -1.928 -7.408 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.777 -2.971 -8.777 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.181 -3.360 -9.084 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.533 -2.362 -7.687 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -10.060 -1.292 -9.280 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -9.445 0.008 -10.306 1.00 14.76 H new ATOM 507 N ASP A 32 -5.593 -5.763 -8.493 1.00 10.93 N ATOM 508 CA ASP A 32 -5.686 -7.085 -9.143 1.00 14.01 C ATOM 509 C ASP A 32 -6.051 -8.225 -8.193 1.00 14.04 C ATOM 510 O ASP A 32 -6.930 -9.030 -8.540 1.00 13.39 O ATOM 511 CB ASP A 32 -4.366 -7.454 -9.884 1.00 18.01 C ATOM 512 CG ASP A 32 -4.137 -6.424 -10.943 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.124 -5.923 -11.606 1.00 25.17 O ATOM 514 OD2 ASP A 32 -3.011 -5.967 -11.059 1.00 26.29 O ATOM 0 H ASP A 32 -4.692 -5.296 -8.591 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.503 -6.979 -9.857 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.529 -7.478 -9.186 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -4.440 -8.447 -10.326 1.00 18.01 H new ATOM 519 N LYS A 33 -5.501 -8.212 -6.923 1.00 14.22 N ATOM 520 CA LYS A 33 -5.836 -9.138 -5.909 1.00 14.00 C ATOM 521 C LYS A 33 -7.289 -9.104 -5.407 1.00 12.37 C ATOM 522 O LYS A 33 -8.020 -10.147 -5.330 1.00 12.17 O ATOM 523 CB LYS A 33 -4.879 -9.000 -4.699 1.00 18.62 C ATOM 524 CG LYS A 33 -3.364 -9.193 -4.928 1.00 24.00 C ATOM 525 CD LYS A 33 -2.918 -10.669 -4.577 1.00 27.61 C ATOM 526 CE LYS A 33 -1.421 -10.977 -4.655 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.993 -10.882 -6.079 1.00 30.06 N ATOM 0 H LYS A 33 -4.808 -7.524 -6.629 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.722 -10.104 -6.401 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -5.025 -8.007 -4.273 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -5.194 -9.721 -3.944 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.119 -8.973 -5.967 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.807 -8.486 -4.313 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -3.259 -10.895 -3.567 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -3.440 -11.350 -5.249 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.857 -10.274 -4.042 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -1.218 -11.974 -4.264 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.024 -11.089 -6.150 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.527 -11.569 -6.649 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.177 -9.922 -6.433 1.00 30.06 H new ATOM 541 N GLU A 34 -7.718 -7.892 -5.079 1.00 10.11 N ATOM 542 CA GLU A 34 -8.842 -7.699 -4.224 1.00 10.07 C ATOM 543 C GLU A 34 -9.909 -6.864 -4.790 1.00 9.32 C ATOM 544 O GLU A 34 -10.940 -6.705 -4.116 1.00 11.61 O ATOM 545 CB GLU A 34 -8.383 -7.104 -2.801 1.00 14.77 C ATOM 546 CG GLU A 34 -7.638 -8.159 -1.935 1.00 18.75 C ATOM 547 CD GLU A 34 -8.516 -9.225 -1.369 1.00 22.28 C ATOM 548 OE1 GLU A 34 -9.631 -8.958 -0.886 1.00 21.95 O ATOM 549 OE2 GLU A 34 -8.152 -10.454 -1.388 1.00 25.19 O ATOM 0 H GLU A 34 -7.286 -7.028 -5.406 1.00 10.11 H new ATOM 0 HA GLU A 34 -9.272 -8.693 -4.099 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.733 -6.244 -2.962 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -9.258 -6.745 -2.260 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.864 -8.628 -2.542 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -7.134 -7.647 -1.115 1.00 18.75 H new ATOM 556 N GLY A 35 -9.742 -6.194 -5.932 1.00 7.22 N ATOM 557 CA GLY A 35 -10.857 -5.511 -6.576 1.00 6.29 C ATOM 558 C GLY A 35 -11.194 -4.175 -5.921 1.00 6.93 C ATOM 559 O GLY A 35 -12.318 -3.662 -6.049 1.00 7.41 O ATOM 0 H GLY A 35 -8.852 -6.112 -6.424 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.617 -5.345 -7.626 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.736 -6.155 -6.548 1.00 6.29 H new ATOM 563 N ILE A 36 -10.237 -3.633 -5.135 1.00 5.86 N ATOM 564 CA ILE A 36 -10.521 -2.350 -4.530 1.00 6.07 C ATOM 565 C ILE A 36 -9.925 -1.186 -5.267 1.00 6.36 C ATOM 566 O ILE A 36 -8.701 -1.129 -5.236 1.00 6.18 O ATOM 567 CB ILE A 36 -10.092 -2.357 -3.127 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.617 -3.543 -2.347 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.592 -1.032 -2.565 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.844 -3.744 -1.016 1.00 9.49 C ATOM 0 H ILE A 36 -9.327 -4.043 -4.925 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.600 -2.208 -4.587 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.010 -2.459 -3.046 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.676 -3.398 -2.134 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.534 -4.444 -2.955 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.313 -0.954 -1.514 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.144 -0.209 -3.122 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.677 -0.984 -2.657 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.251 -4.605 -0.485 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.789 -3.915 -1.230 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.949 -2.853 -0.396 1.00 9.49 H new ATOM 582 N PRO A 37 -10.619 -0.185 -5.772 1.00 8.65 N ATOM 583 CA PRO A 37 -9.979 0.997 -6.425 1.00 9.18 C ATOM 584 C PRO A 37 -8.874 1.756 -5.638 1.00 9.85 C ATOM 585 O PRO A 37 -9.174 2.092 -4.467 1.00 8.51 O ATOM 586 CB PRO A 37 -11.104 1.914 -6.719 1.00 11.42 C ATOM 587 CG PRO A 37 -12.226 0.936 -7.121 1.00 9.27 C ATOM 588 CD PRO A 37 -12.050 -0.231 -6.098 1.00 8.33 C ATOM 0 HA PRO A 37 -9.425 0.630 -7.289 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.378 2.513 -5.851 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -10.863 2.609 -7.523 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.211 1.397 -7.044 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.114 0.593 -8.149 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.669 -0.086 -5.212 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.333 -1.191 -6.531 1.00 8.33 H new ATOM 596 N PRO A 38 -7.603 1.945 -6.111 1.00 8.71 N ATOM 597 CA PRO A 38 -6.565 2.820 -5.480 1.00 9.08 C ATOM 598 C PRO A 38 -6.862 4.176 -4.850 1.00 9.28 C ATOM 599 O PRO A 38 -6.227 4.540 -3.877 1.00 6.50 O ATOM 600 CB PRO A 38 -5.538 2.932 -6.581 1.00 10.31 C ATOM 601 CG PRO A 38 -5.632 1.604 -7.290 1.00 10.81 C ATOM 602 CD PRO A 38 -7.064 1.338 -7.335 1.00 12.00 C ATOM 0 HA PRO A 38 -6.300 2.336 -4.540 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -5.759 3.762 -7.253 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.539 3.103 -6.181 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.202 1.653 -8.290 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.096 0.823 -6.750 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.518 1.774 -8.225 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.266 0.267 -7.366 1.00 12.00 H new ATOM 610 N ASP A 39 -7.863 4.930 -5.414 1.00 11.20 N ATOM 611 CA ASP A 39 -8.314 6.133 -4.808 1.00 14.96 C ATOM 612 C ASP A 39 -8.943 5.926 -3.432 1.00 13.99 C ATOM 613 O ASP A 39 -8.766 6.662 -2.475 1.00 13.75 O ATOM 614 CB ASP A 39 -9.260 6.892 -5.741 1.00 24.16 C ATOM 615 CG ASP A 39 -8.428 7.476 -6.848 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.129 6.733 -7.805 1.00 35.55 O ATOM 617 OD2 ASP A 39 -8.182 8.729 -6.806 1.00 34.22 O ATOM 0 H ASP A 39 -8.341 4.688 -6.282 1.00 11.20 H new ATOM 0 HA ASP A 39 -7.425 6.740 -4.639 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.020 6.223 -6.144 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -9.784 7.679 -5.199 1.00 24.16 H new ATOM 622 N GLN A 40 -9.733 4.856 -3.285 1.00 11.60 N ATOM 623 CA GLN A 40 -10.408 4.419 -2.044 1.00 10.76 C ATOM 624 C GLN A 40 -9.475 3.848 -0.993 1.00 8.01 C ATOM 625 O GLN A 40 -9.648 4.168 0.176 1.00 8.96 O ATOM 626 CB GLN A 40 -11.451 3.361 -2.394 1.00 11.14 C ATOM 627 CG GLN A 40 -12.399 3.181 -1.220 1.00 14.85 C ATOM 628 CD GLN A 40 -13.532 2.230 -1.732 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.775 1.244 -1.044 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.228 2.494 -2.844 1.00 18.16 N ATOM 0 H GLN A 40 -9.933 4.234 -4.068 1.00 11.60 H new ATOM 0 HA GLN A 40 -10.856 5.313 -1.610 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -12.007 3.662 -3.282 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -10.962 2.416 -2.629 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -11.883 2.749 -0.363 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.808 4.138 -0.897 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.007 3.320 -3.400 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -14.979 1.869 -3.136 1.00 18.16 H new ATOM 639 N GLN A 41 -8.524 3.027 -1.465 1.00 6.52 N ATOM 640 CA GLN A 41 -7.401 2.540 -0.697 1.00 3.87 C ATOM 641 C GLN A 41 -6.550 3.628 -0.063 1.00 4.79 C ATOM 642 O GLN A 41 -6.285 4.624 -0.735 1.00 6.34 O ATOM 643 CB GLN A 41 -6.370 1.702 -1.428 1.00 4.20 C ATOM 644 CG GLN A 41 -7.044 0.515 -2.158 1.00 3.20 C ATOM 645 CD GLN A 41 -5.962 -0.232 -2.922 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.858 -0.418 -2.541 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.322 -0.881 -4.055 1.00 7.13 N ATOM 0 H GLN A 41 -8.529 2.681 -2.425 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.958 1.938 0.021 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.836 2.322 -2.148 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.631 1.327 -0.720 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.533 -0.146 -1.443 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.815 0.873 -2.840 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.261 -0.762 -4.435 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.654 -1.489 -4.529 1.00 7.13 H new ATOM 656 N ARG A 42 -6.154 3.468 1.177 1.00 5.73 N ATOM 657 CA ARG A 42 -5.140 4.216 1.820 1.00 6.97 C ATOM 658 C ARG A 42 -4.177 3.146 2.430 1.00 7.15 C ATOM 659 O ARG A 42 -4.598 2.191 3.080 1.00 7.33 O ATOM 660 CB ARG A 42 -5.704 5.032 3.015 1.00 13.23 C ATOM 661 CG ARG A 42 -6.529 6.203 2.708 1.00 21.27 C ATOM 662 CD ARG A 42 -7.083 6.861 4.012 1.00 26.14 C ATOM 663 NE ARG A 42 -7.917 8.054 3.549 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.882 8.670 4.233 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.339 8.263 5.399 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.313 9.825 3.764 1.00 36.39 N ATOM 0 H ARG A 42 -6.567 2.764 1.788 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.675 4.905 1.114 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.296 4.357 3.633 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.862 5.364 3.622 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -5.939 6.932 2.152 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.359 5.908 2.065 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.690 6.155 4.580 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -6.271 7.181 4.665 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.714 8.418 2.618 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.951 7.426 5.835 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -10.080 8.785 5.866 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.909 10.212 2.911 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.050 10.332 4.255 1.00 36.39 H new ATOM 680 N LEU A 43 -2.886 3.325 2.253 1.00 4.65 N ATOM 681 CA LEU A 43 -1.846 2.596 2.907 1.00 3.51 C ATOM 682 C LEU A 43 -1.057 3.373 3.944 1.00 5.56 C ATOM 683 O LEU A 43 -1.018 4.587 3.934 1.00 4.19 O ATOM 684 CB LEU A 43 -0.799 2.129 1.795 1.00 3.74 C ATOM 685 CG LEU A 43 -1.408 1.069 0.836 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.427 0.835 -0.246 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.760 -0.255 1.569 1.00 6.41 C ATOM 0 H LEU A 43 -2.524 4.027 1.608 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.345 1.782 3.432 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.471 2.994 1.219 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.085 1.715 2.280 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.349 1.441 0.430 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.822 0.094 -0.941 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.242 1.768 -0.778 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.507 0.470 0.182 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.182 -0.964 0.857 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.857 -0.678 2.010 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.488 -0.053 2.355 1.00 6.41 H new ATOM 699 N ILE A 44 -0.585 2.601 4.918 1.00 4.58 N ATOM 700 CA ILE A 44 0.080 3.089 6.148 1.00 5.55 C ATOM 701 C ILE A 44 1.327 2.306 6.324 1.00 5.46 C ATOM 702 O ILE A 44 1.297 1.048 6.387 1.00 6.04 O ATOM 703 CB ILE A 44 -0.786 2.990 7.448 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.103 3.772 7.229 1.00 10.31 C ATOM 705 CG2 ILE A 44 0.054 3.535 8.655 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.085 3.491 8.387 1.00 13.90 C ATOM 0 H ILE A 44 -0.651 1.584 4.883 1.00 4.58 H new ATOM 0 HA ILE A 44 0.267 4.154 6.011 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.054 1.958 7.676 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.895 4.840 7.169 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.554 3.481 6.280 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -0.538 3.472 9.568 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.959 2.938 8.767 1.00 7.39 H new ATOM 0 HG23 ILE A 44 0.325 4.574 8.470 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -4.009 4.046 8.223 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -3.305 2.424 8.427 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.636 3.804 9.329 1.00 13.90 H new ATOM 718 N PHE A 45 2.452 3.037 6.603 1.00 6.75 N ATOM 719 CA PHE A 45 3.676 2.334 7.050 1.00 4.70 C ATOM 720 C PHE A 45 4.110 2.941 8.396 1.00 6.34 C ATOM 721 O PHE A 45 4.222 4.143 8.631 1.00 5.45 O ATOM 722 CB PHE A 45 4.890 2.561 6.095 1.00 5.51 C ATOM 723 CG PHE A 45 6.057 1.687 6.376 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.886 0.313 6.344 1.00 6.86 C ATOM 725 CD2 PHE A 45 7.225 2.189 6.974 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.882 -0.585 6.804 1.00 6.68 C ATOM 727 CE2 PHE A 45 8.173 1.338 7.480 1.00 6.64 C ATOM 728 CZ PHE A 45 8.031 -0.070 7.373 1.00 6.84 C ATOM 0 H PHE A 45 2.528 4.051 6.529 1.00 6.75 H new ATOM 0 HA PHE A 45 3.432 1.272 7.091 1.00 4.70 H new ATOM 0 HB2 PHE A 45 4.566 2.396 5.068 1.00 5.51 H new ATOM 0 HB3 PHE A 45 5.204 3.602 6.166 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.962 -0.088 5.955 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.378 3.256 7.036 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.745 -1.652 6.711 1.00 6.68 H new ATOM 0 HE2 PHE A 45 9.045 1.747 7.969 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.809 -0.729 7.731 1.00 6.84 H new ATOM 738 N ALA A 46 4.297 2.065 9.381 1.00 6.53 N ATOM 739 CA ALA A 46 4.706 2.367 10.766 1.00 7.15 C ATOM 740 C ALA A 46 4.222 3.680 11.366 1.00 9.00 C ATOM 741 O ALA A 46 5.049 4.432 11.885 1.00 11.15 O ATOM 742 CB ALA A 46 6.285 2.236 10.829 1.00 8.99 C ATOM 0 H ALA A 46 4.161 1.065 9.233 1.00 6.53 H new ATOM 0 HA ALA A 46 4.200 1.641 11.403 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.628 2.453 11.841 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.577 1.222 10.556 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.737 2.943 10.134 1.00 8.99 H new ATOM 748 N GLY A 47 2.883 3.805 11.416 1.00 9.35 N ATOM 749 CA GLY A 47 2.176 4.955 12.067 1.00 11.68 C ATOM 750 C GLY A 47 2.124 6.255 11.285 1.00 11.14 C ATOM 751 O GLY A 47 1.739 7.303 11.827 1.00 13.93 O ATOM 0 H GLY A 47 2.248 3.118 11.010 1.00 9.35 H new ATOM 0 HA2 GLY A 47 1.153 4.647 12.283 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.658 5.153 13.024 1.00 11.68 H new ATOM 755 N LYS A 48 2.447 6.247 9.999 1.00 10.47 N ATOM 756 CA LYS A 48 2.401 7.319 8.980 1.00 8.82 C ATOM 757 C LYS A 48 1.659 6.907 7.789 1.00 7.68 C ATOM 758 O LYS A 48 1.849 5.821 7.284 1.00 6.47 O ATOM 759 CB LYS A 48 3.829 7.762 8.561 1.00 9.74 C ATOM 760 CG LYS A 48 3.818 8.928 7.555 1.00 14.14 C ATOM 761 CD LYS A 48 5.260 9.545 7.300 1.00 16.32 C ATOM 762 CE LYS A 48 5.232 10.959 6.625 1.00 20.04 C ATOM 763 NZ LYS A 48 6.587 11.477 6.814 1.00 23.92 N ATOM 0 H LYS A 48 2.793 5.384 9.580 1.00 10.47 H new ATOM 0 HA LYS A 48 1.884 8.160 9.442 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.388 8.058 9.448 1.00 9.74 H new ATOM 0 HB3 LYS A 48 4.354 6.914 8.122 1.00 9.74 H new ATOM 0 HG2 LYS A 48 3.406 8.579 6.608 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.154 9.711 7.922 1.00 14.14 H new ATOM 0 HD2 LYS A 48 5.788 9.617 8.251 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.831 8.863 6.670 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.976 10.890 5.568 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.490 11.607 7.091 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.659 12.424 6.391 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.798 11.535 7.831 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.269 10.840 6.355 1.00 23.92 H new ATOM 777 N GLN A 49 0.734 7.792 7.333 1.00 8.89 N ATOM 778 CA GLN A 49 -0.182 7.574 6.217 1.00 7.18 C ATOM 779 C GLN A 49 0.528 7.956 4.908 1.00 8.23 C ATOM 780 O GLN A 49 1.107 9.038 4.766 1.00 9.70 O ATOM 781 CB GLN A 49 -1.547 8.339 6.463 1.00 11.67 C ATOM 782 CG GLN A 49 -2.602 7.734 5.608 1.00 15.82 C ATOM 783 CD GLN A 49 -3.920 8.582 5.753 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.646 8.279 6.709 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.274 9.434 4.818 1.00 20.67 N ATOM 0 H GLN A 49 0.613 8.710 7.761 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.454 6.522 6.136 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.831 8.274 7.513 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.433 9.397 6.228 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.279 7.714 4.567 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.783 6.701 5.906 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -3.634 9.646 4.053 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.189 9.884 4.857 1.00 20.67 H new ATOM 794 N LEU A 50 0.411 7.069 3.882 1.00 6.51 N ATOM 795 CA LEU A 50 1.205 7.224 2.689 1.00 7.41 C ATOM 796 C LEU A 50 0.536 7.954 1.600 1.00 8.27 C ATOM 797 O LEU A 50 -0.694 8.039 1.579 1.00 8.34 O ATOM 798 CB LEU A 50 1.768 5.903 2.205 1.00 7.13 C ATOM 799 CG LEU A 50 2.336 4.998 3.313 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.842 3.658 2.773 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.477 5.656 4.040 1.00 9.11 C ATOM 0 H LEU A 50 -0.218 6.266 3.880 1.00 6.51 H new ATOM 0 HA LEU A 50 2.037 7.859 2.993 1.00 7.41 H new ATOM 0 HB2 LEU A 50 0.982 5.360 1.679 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.557 6.104 1.480 1.00 7.13 H new ATOM 0 HG LEU A 50 1.503 4.825 3.995 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.232 3.058 3.595 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.021 3.126 2.293 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.634 3.835 2.045 1.00 8.14 H new ATOM 0 HD21 LEU A 50 3.850 4.985 4.814 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.278 5.878 3.335 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.130 6.582 4.499 1.00 9.11 H new ATOM 813 N GLU A 51 1.263 8.549 0.661 1.00 9.43 N ATOM 814 CA GLU A 51 0.661 9.383 -0.426 1.00 11.90 C ATOM 815 C GLU A 51 0.943 8.799 -1.744 1.00 11.49 C ATOM 816 O GLU A 51 2.011 8.266 -2.011 1.00 9.88 O ATOM 817 CB GLU A 51 1.263 10.827 -0.409 1.00 16.56 C ATOM 818 CG GLU A 51 0.717 11.731 0.664 1.00 26.06 C ATOM 819 CD GLU A 51 -0.759 12.012 0.431 1.00 29.86 C ATOM 820 OE1 GLU A 51 -1.008 12.687 -0.617 1.00 32.13 O ATOM 821 OE2 GLU A 51 -1.647 11.670 1.271 1.00 33.44 O ATOM 0 H GLU A 51 2.280 8.481 0.613 1.00 9.43 H new ATOM 0 HA GLU A 51 -0.414 9.418 -0.250 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.343 10.753 -0.285 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.084 11.290 -1.379 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.854 11.268 1.641 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.273 12.668 0.675 1.00 26.06 H new ATOM 828 N ASP A 52 -0.023 8.865 -2.670 1.00 12.71 N ATOM 829 CA ASP A 52 -0.149 8.206 -3.931 1.00 16.56 C ATOM 830 C ASP A 52 1.028 8.507 -4.874 1.00 15.83 C ATOM 831 O ASP A 52 1.621 7.626 -5.526 1.00 17.21 O ATOM 832 CB ASP A 52 -1.550 8.503 -4.522 1.00 21.05 C ATOM 833 CG ASP A 52 -2.656 8.329 -3.463 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.751 9.156 -2.541 1.00 25.82 O ATOM 835 OD2 ASP A 52 -3.489 7.415 -3.534 1.00 28.37 O ATOM 0 H ASP A 52 -0.829 9.468 -2.507 1.00 12.71 H new ATOM 0 HA ASP A 52 -0.084 7.127 -3.789 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.574 9.521 -4.911 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.741 7.836 -5.362 1.00 21.05 H new ATOM 840 N GLY A 53 1.461 9.777 -5.023 1.00 15.00 N ATOM 841 CA GLY A 53 2.572 10.255 -5.856 1.00 11.77 C ATOM 842 C GLY A 53 3.919 10.145 -5.241 1.00 11.10 C ATOM 843 O GLY A 53 4.927 10.624 -5.788 1.00 11.25 O ATOM 0 H GLY A 53 1.008 10.545 -4.527 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.571 9.695 -6.791 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.391 11.299 -6.110 1.00 11.77 H new ATOM 847 N ARG A 54 4.090 9.556 -4.026 1.00 8.53 N ATOM 848 CA ARG A 54 5.413 9.277 -3.458 1.00 9.05 C ATOM 849 C ARG A 54 5.867 7.885 -3.730 1.00 8.96 C ATOM 850 O ARG A 54 5.039 7.004 -4.000 1.00 11.60 O ATOM 851 CB ARG A 54 5.461 9.508 -1.959 1.00 7.97 C ATOM 852 CG ARG A 54 5.296 10.930 -1.438 1.00 9.62 C ATOM 853 CD ARG A 54 6.528 11.806 -1.584 1.00 12.20 C ATOM 854 NE ARG A 54 6.266 13.213 -1.261 1.00 18.23 N ATOM 855 CZ ARG A 54 6.995 14.029 -0.500 1.00 22.08 C ATOM 856 NH1 ARG A 54 8.129 13.645 0.039 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.544 15.284 -0.317 1.00 23.38 N ATOM 0 H ARG A 54 3.315 9.269 -3.428 1.00 8.53 H new ATOM 0 HA ARG A 54 6.084 9.979 -3.953 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.683 8.896 -1.504 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.417 9.130 -1.596 1.00 7.97 H new ATOM 0 HG2 ARG A 54 4.467 11.402 -1.965 1.00 9.62 H new ATOM 0 HG3 ARG A 54 5.020 10.887 -0.384 1.00 9.62 H new ATOM 0 HD2 ARG A 54 7.316 11.429 -0.932 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.899 11.736 -2.606 1.00 12.20 H new ATOM 0 HE ARG A 54 5.422 13.616 -1.669 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.475 12.699 -0.120 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.664 14.293 0.617 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.672 15.581 -0.754 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.074 15.938 0.259 1.00 23.38 H new ATOM 871 N THR A 55 7.156 7.615 -3.607 1.00 9.05 N ATOM 872 CA THR A 55 7.706 6.233 -3.737 1.00 9.03 C ATOM 873 C THR A 55 7.999 5.534 -2.404 1.00 8.15 C ATOM 874 O THR A 55 8.063 6.117 -1.340 1.00 5.91 O ATOM 875 CB THR A 55 8.990 6.244 -4.556 1.00 11.15 C ATOM 876 OG1 THR A 55 9.898 7.327 -4.120 1.00 11.95 O ATOM 877 CG2 THR A 55 8.649 6.698 -6.020 1.00 11.71 C ATOM 0 H THR A 55 7.863 8.325 -3.416 1.00 9.05 H new ATOM 0 HA THR A 55 6.917 5.668 -4.233 1.00 9.03 H new ATOM 0 HB THR A 55 9.427 5.250 -4.458 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.714 7.308 -4.662 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.560 6.711 -6.619 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.935 6.002 -6.460 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.215 7.698 -5.999 1.00 11.71 H new ATOM 885 N LEU A 56 8.079 4.196 -2.461 1.00 6.91 N ATOM 886 CA LEU A 56 8.391 3.336 -1.362 1.00 8.29 C ATOM 887 C LEU A 56 9.724 3.661 -0.641 1.00 8.05 C ATOM 888 O LEU A 56 9.851 3.595 0.578 1.00 10.17 O ATOM 889 CB LEU A 56 8.483 1.842 -1.831 1.00 6.60 C ATOM 890 CG LEU A 56 7.140 1.183 -2.035 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.533 -0.169 -2.579 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.290 1.020 -0.764 1.00 8.64 C ATOM 0 H LEU A 56 7.916 3.682 -3.327 1.00 6.91 H new ATOM 0 HA LEU A 56 7.574 3.501 -0.659 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.044 1.798 -2.764 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.048 1.273 -1.092 1.00 6.60 H new ATOM 0 HG LEU A 56 6.501 1.788 -2.678 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.636 -0.758 -2.773 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.090 -0.040 -3.507 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.156 -0.687 -1.850 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.346 0.537 -1.017 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.829 0.407 -0.042 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.091 2.000 -0.331 1.00 8.64 H new ATOM 904 N SER A 57 10.744 4.052 -1.424 1.00 8.92 N ATOM 905 CA SER A 57 12.083 4.467 -0.958 1.00 9.00 C ATOM 906 C SER A 57 12.137 5.719 -0.149 1.00 9.44 C ATOM 907 O SER A 57 12.872 5.833 0.837 1.00 10.91 O ATOM 908 CB SER A 57 13.131 4.490 -2.130 1.00 10.32 C ATOM 909 OG SER A 57 12.927 5.589 -2.991 1.00 13.59 O ATOM 0 H SER A 57 10.657 4.090 -2.440 1.00 8.92 H new ATOM 0 HA SER A 57 12.361 3.685 -0.251 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.139 4.534 -1.716 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.060 3.563 -2.700 1.00 10.32 H new ATOM 0 HG SER A 57 13.597 5.573 -3.706 1.00 13.59 H new ATOM 915 N ASP A 58 11.188 6.645 -0.399 1.00 9.11 N ATOM 916 CA ASP A 58 10.985 7.923 0.241 1.00 7.91 C ATOM 917 C ASP A 58 10.284 7.777 1.580 1.00 9.12 C ATOM 918 O ASP A 58 10.336 8.693 2.452 1.00 8.61 O ATOM 919 CB ASP A 58 10.222 8.951 -0.631 1.00 8.41 C ATOM 920 CG ASP A 58 10.423 10.429 -0.397 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.609 10.851 -0.453 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.479 11.133 -0.089 1.00 11.70 O ATOM 0 H ASP A 58 10.489 6.483 -1.124 1.00 9.11 H new ATOM 0 HA ASP A 58 11.990 8.316 0.395 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.478 8.749 -1.671 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.157 8.746 -0.519 1.00 8.41 H new ATOM 927 N TYR A 59 9.713 6.580 1.861 1.00 7.97 N ATOM 928 CA TYR A 59 9.141 6.346 3.196 1.00 8.45 C ATOM 929 C TYR A 59 10.031 5.311 3.965 1.00 10.98 C ATOM 930 O TYR A 59 9.727 4.702 4.972 1.00 12.95 O ATOM 931 CB TYR A 59 7.760 5.640 3.100 1.00 7.94 C ATOM 932 CG TYR A 59 6.675 6.689 2.788 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.379 7.699 3.681 1.00 4.59 C ATOM 934 CD2 TYR A 59 5.991 6.682 1.549 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.298 8.608 3.424 1.00 5.39 C ATOM 936 CE2 TYR A 59 4.998 7.577 1.235 1.00 6.52 C ATOM 937 CZ TYR A 59 4.656 8.522 2.161 1.00 6.76 C ATOM 938 OH TYR A 59 3.695 9.422 1.768 1.00 7.63 O ATOM 0 H TYR A 59 9.640 5.798 1.210 1.00 7.97 H new ATOM 0 HA TYR A 59 9.072 7.319 3.683 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.781 4.878 2.321 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.532 5.131 4.037 1.00 7.94 H new ATOM 0 HD1 TYR A 59 6.966 7.806 4.581 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.263 5.937 0.816 1.00 6.98 H new ATOM 0 HE1 TYR A 59 4.985 9.330 4.164 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.499 7.535 0.278 1.00 6.52 H new ATOM 0 HH TYR A 59 4.111 10.294 1.604 1.00 7.63 H new ATOM 948 N ASN A 60 11.168 5.032 3.371 1.00 12.38 N ATOM 949 CA ASN A 60 12.259 4.161 3.869 1.00 13.94 C ATOM 950 C ASN A 60 11.824 2.721 3.915 1.00 14.16 C ATOM 951 O ASN A 60 12.280 1.949 4.784 1.00 14.26 O ATOM 952 CB ASN A 60 12.914 4.721 5.085 1.00 19.23 C ATOM 953 CG ASN A 60 13.638 5.997 4.785 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.029 7.073 5.049 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.887 5.924 4.318 1.00 24.09 N ATOM 0 H ASN A 60 11.392 5.427 2.458 1.00 12.38 H new ATOM 0 HA ASN A 60 13.081 4.152 3.153 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.162 4.901 5.853 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.615 3.991 5.490 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.419 6.778 4.150 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.309 5.015 4.130 1.00 24.09 H new ATOM 962 N ILE A 61 11.056 2.276 2.872 1.00 11.08 N ATOM 963 CA ILE A 61 10.469 0.952 2.877 1.00 11.78 C ATOM 964 C ILE A 61 11.232 -0.025 2.016 1.00 13.74 C ATOM 965 O ILE A 61 11.418 0.211 0.790 1.00 14.60 O ATOM 966 CB ILE A 61 9.007 0.902 2.426 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.167 1.757 3.367 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.442 -0.581 2.495 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.819 2.204 2.765 1.00 11.42 C ATOM 0 H ILE A 61 10.847 2.828 2.040 1.00 11.08 H new ATOM 0 HA ILE A 61 10.523 0.669 3.928 1.00 11.78 H new ATOM 0 HB ILE A 61 8.955 1.267 1.400 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.977 1.195 4.282 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.740 2.641 3.649 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.402 -0.590 2.170 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.031 -1.226 1.843 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.505 -0.947 3.520 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.278 2.808 3.493 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.000 2.794 1.866 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.226 1.326 2.509 1.00 11.42 H new ATOM 981 N GLN A 62 11.773 -1.016 2.667 1.00 13.97 N ATOM 982 CA GLN A 62 12.657 -2.017 2.038 1.00 15.52 C ATOM 983 C GLN A 62 12.051 -3.467 2.084 1.00 13.94 C ATOM 984 O GLN A 62 10.961 -3.590 2.568 1.00 12.15 O ATOM 985 CB GLN A 62 14.042 -2.035 2.743 1.00 19.53 C ATOM 986 CG GLN A 62 14.652 -0.640 2.956 1.00 26.38 C ATOM 987 CD GLN A 62 16.098 -0.704 3.391 1.00 30.61 C ATOM 988 OE1 GLN A 62 16.914 -1.419 2.734 1.00 33.23 O ATOM 989 NE2 GLN A 62 16.529 -0.024 4.481 1.00 32.71 N ATOM 0 H GLN A 62 11.624 -1.173 3.664 1.00 13.97 H new ATOM 0 HA GLN A 62 12.764 -1.723 0.994 1.00 15.52 H new ATOM 0 HB2 GLN A 62 13.940 -2.527 3.710 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.732 -2.636 2.151 1.00 19.53 H new ATOM 0 HG2 GLN A 62 14.579 -0.069 2.030 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.073 -0.104 3.708 1.00 26.38 H new ATOM 0 HE21 GLN A 62 15.877 0.553 5.013 1.00 32.71 H new ATOM 0 HE22 GLN A 62 17.505 -0.089 4.769 1.00 32.71 H new ATOM 998 N LYS A 63 12.764 -4.450 1.523 1.00 11.73 N ATOM 999 CA LYS A 63 12.246 -5.845 1.470 1.00 11.97 C ATOM 1000 C LYS A 63 11.887 -6.470 2.862 1.00 10.41 C ATOM 1001 O LYS A 63 12.542 -6.203 3.860 1.00 9.59 O ATOM 1002 CB LYS A 63 13.284 -6.765 0.919 1.00 13.73 C ATOM 1003 CG LYS A 63 14.484 -6.934 1.832 1.00 16.98 C ATOM 1004 CD LYS A 63 15.744 -7.547 1.184 1.00 20.19 C ATOM 1005 CE LYS A 63 16.965 -7.610 2.125 1.00 23.42 C ATOM 1006 NZ LYS A 63 18.125 -8.265 1.495 1.00 25.97 N ATOM 0 H LYS A 63 13.685 -4.322 1.104 1.00 11.73 H new ATOM 0 HA LYS A 63 11.348 -5.759 0.859 1.00 11.97 H new ATOM 0 HB2 LYS A 63 12.834 -7.741 0.737 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.621 -6.385 -0.045 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.747 -5.958 2.239 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.190 -7.561 2.674 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.510 -8.555 0.841 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.007 -6.963 0.302 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.241 -6.599 2.426 1.00 23.42 H new ATOM 0 HE3 LYS A 63 16.694 -8.150 3.032 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 18.920 -8.283 2.166 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.873 -9.239 1.230 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.402 -7.736 0.644 1.00 25.97 H new ATOM 1020 N GLU A 64 10.825 -7.336 2.973 1.00 10.04 N ATOM 1021 CA GLU A 64 10.224 -7.979 4.110 1.00 10.94 C ATOM 1022 C GLU A 64 9.683 -7.004 5.198 1.00 9.74 C ATOM 1023 O GLU A 64 9.854 -7.120 6.402 1.00 9.42 O ATOM 1024 CB GLU A 64 11.214 -9.064 4.683 1.00 18.31 C ATOM 1025 CG GLU A 64 11.684 -10.024 3.592 1.00 24.16 C ATOM 1026 CD GLU A 64 12.653 -11.015 4.201 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.325 -11.712 5.238 1.00 32.61 O ATOM 1028 OE2 GLU A 64 13.786 -11.097 3.684 1.00 31.72 O ATOM 0 H GLU A 64 10.330 -7.612 2.125 1.00 10.04 H new ATOM 0 HA GLU A 64 9.320 -8.477 3.759 1.00 10.94 H new ATOM 0 HB2 GLU A 64 12.076 -8.571 5.131 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.720 -9.626 5.476 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.833 -10.547 3.157 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.166 -9.472 2.785 1.00 24.16 H new ATOM 1035 N SER A 65 9.023 -5.946 4.721 1.00 6.85 N ATOM 1036 CA SER A 65 8.324 -4.960 5.531 1.00 6.90 C ATOM 1037 C SER A 65 6.808 -5.209 5.378 1.00 4.72 C ATOM 1038 O SER A 65 6.337 -5.705 4.352 1.00 3.91 O ATOM 1039 CB SER A 65 8.581 -3.520 5.145 1.00 7.28 C ATOM 1040 OG SER A 65 9.986 -3.275 5.014 1.00 10.56 O ATOM 0 H SER A 65 8.962 -5.750 3.722 1.00 6.85 H new ATOM 0 HA SER A 65 8.694 -5.086 6.548 1.00 6.90 H new ATOM 0 HB2 SER A 65 8.078 -3.295 4.204 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.159 -2.855 5.899 1.00 7.28 H new ATOM 0 HG SER A 65 10.217 -3.195 4.065 1.00 10.56 H new ATOM 1046 N THR A 66 6.057 -4.759 6.479 1.00 4.48 N ATOM 1047 CA THR A 66 4.591 -4.903 6.504 1.00 3.80 C ATOM 1048 C THR A 66 3.896 -3.464 6.514 1.00 4.60 C ATOM 1049 O THR A 66 4.201 -2.584 7.299 1.00 5.33 O ATOM 1050 CB THR A 66 4.107 -5.691 7.752 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.860 -6.879 7.908 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.621 -6.032 7.780 1.00 3.40 C ATOM 0 H THR A 66 6.457 -4.318 7.307 1.00 4.48 H new ATOM 0 HA THR A 66 4.310 -5.457 5.609 1.00 3.80 H new ATOM 0 HB THR A 66 4.268 -5.006 8.584 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.545 -7.364 8.699 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.391 -6.581 8.693 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.036 -5.113 7.752 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.372 -6.646 6.915 1.00 3.40 H new ATOM 1060 N LEU A 67 2.952 -3.260 5.563 1.00 4.17 N ATOM 1061 CA LEU A 67 2.165 -2.072 5.335 1.00 3.85 C ATOM 1062 C LEU A 67 0.754 -2.443 5.874 1.00 3.80 C ATOM 1063 O LEU A 67 0.373 -3.604 6.007 1.00 5.54 O ATOM 1064 CB LEU A 67 2.163 -1.703 3.768 1.00 7.18 C ATOM 1065 CG LEU A 67 3.332 -0.784 3.470 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.593 -1.583 3.255 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.081 0.009 2.160 1.00 11.66 C ATOM 0 H LEU A 67 2.720 -3.994 4.894 1.00 4.17 H new ATOM 0 HA LEU A 67 2.552 -1.184 5.835 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.236 -2.610 3.169 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.225 -1.217 3.498 1.00 7.18 H new ATOM 0 HG LEU A 67 3.436 -0.111 4.321 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.421 -0.906 3.042 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.816 -2.159 4.153 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.454 -2.262 2.414 1.00 8.12 H new ATOM 0 HD21 LEU A 67 3.930 0.663 1.962 1.00 11.66 H new ATOM 0 HD22 LEU A 67 2.959 -0.688 1.331 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.177 0.609 2.266 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.060 -1.436 6.236 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.376 -1.605 6.799 1.00 4.17 C ATOM 1081 C HIS A 68 -2.335 -1.000 5.753 1.00 5.32 C ATOM 1082 O HIS A 68 -2.115 0.104 5.289 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.520 -1.071 8.247 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.327 -1.499 9.071 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.814 -0.763 9.199 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.169 -2.626 9.750 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.630 -1.518 9.900 1.00 14.75 C ATOM 1088 NE2 HIS A 68 1.108 -2.640 10.317 1.00 16.30 N ATOM 0 H HIS A 68 0.206 -0.456 6.134 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.620 -2.654 6.964 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.596 0.016 8.238 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.438 -1.451 8.695 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -0.908 -3.407 9.849 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.650 -1.234 10.114 1.00 14.75 H new ATOM 0 HE2 HIS A 68 1.530 -3.353 10.912 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.483 -1.633 5.513 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.426 -1.155 4.527 1.00 3.97 C ATOM 1098 C LEU A 69 -5.736 -0.839 5.182 1.00 5.07 C ATOM 1099 O LEU A 69 -6.322 -1.555 6.004 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.604 -2.263 3.439 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.706 -2.053 2.344 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.477 -0.838 1.501 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.795 -3.320 1.463 1.00 9.96 C ATOM 0 H LEU A 69 -3.775 -2.483 5.996 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.056 -0.242 4.061 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.648 -2.387 2.930 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.817 -3.202 3.951 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.652 -1.885 2.859 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.275 -0.751 0.764 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.471 0.049 2.135 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.518 -0.925 0.990 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.560 -3.179 0.700 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.832 -3.498 0.984 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.055 -4.177 2.084 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.278 0.366 4.892 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.540 0.906 5.395 1.00 6.26 C ATOM 1117 C VAL A 70 -8.268 1.537 4.237 1.00 9.22 C ATOM 1118 O VAL A 70 -7.647 2.062 3.309 1.00 9.36 O ATOM 1119 CB VAL A 70 -7.356 1.846 6.562 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.787 1.057 7.717 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.397 2.957 6.049 1.00 8.54 C ATOM 0 H VAL A 70 -5.810 1.018 4.262 1.00 4.29 H new ATOM 0 HA VAL A 70 -8.144 0.096 5.804 1.00 6.26 H new ATOM 0 HB VAL A 70 -8.279 2.302 6.920 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.645 1.716 8.573 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.476 0.257 7.986 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -5.828 0.628 7.427 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -6.217 3.679 6.846 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.451 2.509 5.745 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.850 3.463 5.196 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.608 1.461 4.237 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.355 1.985 3.086 1.00 16.06 C ATOM 1133 C LEU A 71 -11.201 3.279 3.441 1.00 18.09 C ATOM 1134 O LEU A 71 -12.041 3.263 4.383 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.308 0.967 2.404 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.608 -0.357 2.011 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.632 -1.267 1.325 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -9.428 -0.156 1.094 1.00 19.57 C ATOM 0 H LEU A 71 -10.175 1.061 4.985 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.561 2.230 2.380 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -12.136 0.746 3.078 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.737 1.422 1.511 1.00 17.10 H new ATOM 0 HG LEU A 71 -10.223 -0.807 2.926 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.154 -2.205 1.042 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.454 -1.472 2.011 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.018 -0.773 0.433 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -8.983 -1.122 0.857 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -9.760 0.326 0.174 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -8.687 0.474 1.587 1.00 19.57 H new