USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -57:sc= 2.43 USER MOD Set 1.2: A 57 SER OG : rot -43:sc= 1.25 USER MOD Set 2.1: A 22 THR OG1 : rot -89:sc= 0.258 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.201 K(o=0.46,f=-0.26) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -152:sc= 0.942 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.823 USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= 0.157 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.055 (180deg=-0.055) USER MOD Single : A 1 MET N :NH3+ 150:sc= 1.28 (180deg=1.05) USER MOD Single : A 2 GLN : amide:sc= -0.404 X(o=-0.4,f=-0.0013) USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= 0.844 (180deg=0.668) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc=0.000987 USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc=-0.00193 (180deg=-0.00193) USER MOD Single : A 31 GLN : amide:sc= -0.0874 K(o=-0.087,f=-0.98) USER MOD Single : A 33 LYS NZ :NH3+ 137:sc= 0.898 (180deg=-0.0833) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 41 GLN : amide:sc= 0.289 K(o=0.29,f=-4!) 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 120:sc= 0.771 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 105:sc= 1.3 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 0.167 K(o=0.17,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.951 -7.411 -4.810 1.00 9.67 N ATOM 2 CA MET A 1 11.700 -7.726 -3.397 1.00 10.38 C ATOM 3 C MET A 1 10.276 -8.054 -3.058 1.00 9.62 C ATOM 4 O MET A 1 9.357 -7.982 -3.912 1.00 9.62 O ATOM 5 CB MET A 1 12.260 -6.607 -2.474 1.00 13.77 C ATOM 6 CG MET A 1 11.312 -5.357 -2.369 1.00 16.29 C ATOM 7 SD MET A 1 12.028 -4.144 -1.209 1.00 17.17 S ATOM 8 CE MET A 1 10.824 -2.772 -1.394 1.00 16.11 C ATOM 0 H1 MET A 1 12.745 -6.743 -4.881 1.00 9.67 H new ATOM 0 H2 MET A 1 12.186 -8.284 -5.324 1.00 9.67 H new ATOM 0 H3 MET A 1 11.100 -6.982 -5.227 1.00 9.67 H new ATOM 0 HA MET A 1 12.242 -8.653 -3.213 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.423 -7.016 -1.477 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.232 -6.287 -2.850 1.00 13.77 H new ATOM 0 HG2 MET A 1 11.181 -4.903 -3.351 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.324 -5.665 -2.026 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.115 -1.943 -0.749 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.811 -2.437 -2.431 1.00 16.11 H new ATOM 0 HE3 MET A 1 9.830 -3.120 -1.112 1.00 16.11 H new ATOM 20 N GLN A 2 10.003 -8.352 -1.793 1.00 9.27 N ATOM 21 CA GLN A 2 8.724 -8.730 -1.278 1.00 9.07 C ATOM 22 C GLN A 2 8.308 -7.687 -0.293 1.00 8.72 C ATOM 23 O GLN A 2 9.132 -7.202 0.436 1.00 8.22 O ATOM 24 CB GLN A 2 8.782 -10.145 -0.654 1.00 14.46 C ATOM 25 CG GLN A 2 7.533 -10.667 0.124 1.00 17.01 C ATOM 26 CD GLN A 2 7.658 -12.214 0.169 1.00 20.10 C ATOM 27 OE1 GLN A 2 8.261 -12.816 1.053 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.143 -12.901 -0.881 1.00 19.49 N ATOM 0 H GLN A 2 10.722 -8.330 -1.070 1.00 9.27 H new ATOM 0 HA GLN A 2 7.982 -8.785 -2.075 1.00 9.07 H new ATOM 0 HB2 GLN A 2 8.993 -10.853 -1.456 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.632 -10.172 0.027 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.501 -10.251 1.131 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.612 -10.366 -0.375 1.00 17.01 H new ATOM 0 HE21 GLN A 2 6.641 -12.405 -1.618 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.257 -13.913 -0.934 1.00 19.49 H new ATOM 37 N ILE A 3 7.026 -7.335 -0.248 1.00 5.87 N ATOM 38 CA ILE A 3 6.408 -6.710 0.923 1.00 5.07 C ATOM 39 C ILE A 3 5.146 -7.521 1.213 1.00 4.01 C ATOM 40 O ILE A 3 4.648 -8.186 0.336 1.00 4.61 O ATOM 41 CB ILE A 3 6.168 -5.238 0.842 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.483 -4.765 -0.487 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.440 -4.460 0.919 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.036 -3.222 -0.497 1.00 10.83 C ATOM 0 H ILE A 3 6.381 -7.475 -1.026 1.00 5.87 H new ATOM 0 HA ILE A 3 7.114 -6.745 1.753 1.00 5.07 H new ATOM 0 HB ILE A 3 5.509 -5.052 1.690 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.171 -4.936 -1.315 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.605 -5.385 -0.668 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.219 -3.394 0.856 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.940 -4.672 1.864 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.091 -4.745 0.093 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.572 -2.984 -1.454 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.321 -3.045 0.307 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.911 -2.589 -0.350 1.00 10.83 H new ATOM 56 N PHE A 4 4.599 -7.388 2.419 1.00 4.55 N ATOM 57 CA PHE A 4 3.294 -7.845 2.840 1.00 4.68 C ATOM 58 C PHE A 4 2.346 -6.705 3.096 1.00 5.30 C ATOM 59 O PHE A 4 2.722 -5.649 3.612 1.00 5.58 O ATOM 60 CB PHE A 4 3.276 -8.636 4.165 1.00 4.83 C ATOM 61 CG PHE A 4 4.311 -9.680 4.217 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.407 -10.635 3.163 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.411 -9.594 5.143 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.474 -11.511 3.061 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.538 -10.440 4.978 1.00 10.61 C ATOM 66 CZ PHE A 4 6.559 -11.400 3.989 1.00 8.90 C ATOM 0 H PHE A 4 5.100 -6.923 3.176 1.00 4.55 H new ATOM 0 HA PHE A 4 2.998 -8.480 2.005 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.419 -7.946 4.997 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.296 -9.095 4.296 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.623 -10.676 2.421 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.378 -8.888 5.960 1.00 8.34 H new ATOM 0 HE1 PHE A 4 5.488 -12.269 2.291 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.389 -10.331 5.634 1.00 10.61 H new ATOM 0 HZ PHE A 4 7.400 -12.073 3.913 1.00 8.90 H new ATOM 76 N VAL A 5 1.084 -6.952 2.861 1.00 4.44 N ATOM 77 CA VAL A 5 0.018 -5.930 3.165 1.00 3.87 C ATOM 78 C VAL A 5 -1.024 -6.621 4.039 1.00 4.93 C ATOM 79 O VAL A 5 -1.394 -7.796 3.867 1.00 6.84 O ATOM 80 CB VAL A 5 -0.635 -5.359 1.854 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.545 -4.203 2.428 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.413 -4.788 0.871 1.00 9.13 C ATOM 0 H VAL A 5 0.735 -7.826 2.467 1.00 4.44 H new ATOM 0 HA VAL A 5 0.454 -5.075 3.681 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.166 -6.117 1.277 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.068 -3.711 1.608 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.272 -4.623 3.122 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -0.923 -3.476 2.950 1.00 5.28 H new ATOM 0 HG21 VAL A 5 -0.091 -4.407 -0.017 1.00 9.13 H new ATOM 0 HG22 VAL A 5 0.961 -3.978 1.353 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.109 -5.576 0.583 1.00 9.13 H new ATOM 92 N LYS A 6 -1.459 -6.002 5.148 1.00 6.04 N ATOM 93 CA LYS A 6 -2.200 -6.598 6.219 1.00 6.12 C ATOM 94 C LYS A 6 -3.534 -5.878 6.205 1.00 6.57 C ATOM 95 O LYS A 6 -3.610 -4.653 6.349 1.00 5.76 O ATOM 96 CB LYS A 6 -1.389 -6.516 7.515 1.00 7.45 C ATOM 97 CG LYS A 6 -1.971 -7.404 8.600 1.00 11.12 C ATOM 98 CD LYS A 6 -1.732 -8.931 8.548 1.00 14.54 C ATOM 99 CE LYS A 6 -2.691 -9.836 9.366 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.449 -11.267 9.099 1.00 20.55 N ATOM 0 H LYS A 6 -1.280 -5.011 5.310 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.389 -7.667 6.118 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -0.358 -6.810 7.318 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -1.365 -5.484 7.864 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -1.587 -7.046 9.555 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -3.049 -7.243 8.610 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -1.783 -9.244 7.505 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.715 -9.124 8.890 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.561 -9.637 10.430 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.724 -9.589 9.119 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.329 -11.801 9.245 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -2.130 -11.388 8.117 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.717 -11.622 9.747 1.00 20.55 H new ATOM 114 N THR A 7 -4.680 -6.601 6.010 1.00 7.41 N ATOM 115 CA THR A 7 -5.974 -5.984 6.125 1.00 7.48 C ATOM 116 C THR A 7 -6.490 -5.825 7.565 1.00 8.75 C ATOM 117 O THR A 7 -6.007 -6.422 8.531 1.00 8.58 O ATOM 118 CB THR A 7 -7.068 -6.550 5.169 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.703 -7.644 5.723 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.393 -7.060 3.909 1.00 9.17 C ATOM 0 H THR A 7 -4.700 -7.594 5.777 1.00 7.41 H new ATOM 0 HA THR A 7 -5.772 -4.974 5.768 1.00 7.48 H new ATOM 0 HB THR A 7 -7.785 -5.751 4.977 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.384 -7.976 5.102 1.00 11.78 H new ATOM 0 HG21 THR A 7 -7.146 -7.460 3.229 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.863 -6.241 3.423 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.684 -7.847 4.169 1.00 9.17 H new ATOM 128 N LEU A 8 -7.430 -4.918 7.707 1.00 9.84 N ATOM 129 CA LEU A 8 -8.160 -4.668 8.951 1.00 14.15 C ATOM 130 C LEU A 8 -9.068 -5.857 9.383 1.00 17.37 C ATOM 131 O LEU A 8 -9.414 -6.029 10.557 1.00 17.01 O ATOM 132 CB LEU A 8 -9.028 -3.368 8.825 1.00 16.63 C ATOM 133 CG LEU A 8 -8.154 -2.098 8.640 1.00 18.88 C ATOM 134 CD1 LEU A 8 -8.995 -0.932 8.153 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.461 -1.757 9.976 1.00 18.59 C ATOM 0 H LEU A 8 -7.724 -4.310 6.943 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.403 -4.543 9.725 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.707 -3.467 7.978 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.645 -3.256 9.717 1.00 16.63 H new ATOM 0 HG LEU A 8 -7.394 -2.293 7.884 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -8.362 -0.053 8.030 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -9.451 -1.187 7.196 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -9.776 -0.718 8.882 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -6.846 -0.866 9.850 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.216 -1.572 10.741 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -6.831 -2.592 10.282 1.00 18.59 H new ATOM 147 N THR A 9 -9.475 -6.716 8.435 1.00 18.33 N ATOM 148 CA THR A 9 -10.300 -7.884 8.842 1.00 19.24 C ATOM 149 C THR A 9 -9.353 -9.040 9.215 1.00 19.48 C ATOM 150 O THR A 9 -9.722 -9.995 9.916 1.00 23.14 O ATOM 151 CB THR A 9 -11.323 -8.473 7.837 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.828 -8.723 6.539 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.369 -7.332 7.668 1.00 19.70 C ATOM 0 H THR A 9 -9.268 -6.642 7.439 1.00 18.33 H new ATOM 0 HA THR A 9 -10.906 -7.474 9.650 1.00 19.24 H new ATOM 0 HB THR A 9 -11.670 -9.430 8.226 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.544 -9.093 5.982 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.144 -7.649 6.970 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.821 -7.107 8.634 1.00 19.70 H new ATOM 0 HG23 THR A 9 -11.876 -6.440 7.281 1.00 19.70 H new ATOM 161 N GLY A 10 -8.074 -8.966 8.732 1.00 19.43 N ATOM 162 CA GLY A 10 -7.046 -9.864 9.127 1.00 18.74 C ATOM 163 C GLY A 10 -6.323 -10.593 7.996 1.00 17.62 C ATOM 164 O GLY A 10 -5.559 -11.448 8.377 1.00 19.74 O ATOM 0 H GLY A 10 -7.770 -8.264 8.057 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.308 -9.308 9.705 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.478 -10.609 9.795 1.00 18.74 H new ATOM 168 N LYS A 11 -6.661 -10.347 6.742 1.00 13.56 N ATOM 169 CA LYS A 11 -6.014 -11.064 5.600 1.00 11.91 C ATOM 170 C LYS A 11 -4.603 -10.591 5.329 1.00 10.18 C ATOM 171 O LYS A 11 -4.340 -9.395 5.490 1.00 9.10 O ATOM 172 CB LYS A 11 -6.859 -10.933 4.333 1.00 13.43 C ATOM 173 CG LYS A 11 -6.426 -11.710 3.112 1.00 16.69 C ATOM 174 CD LYS A 11 -7.298 -11.376 1.843 1.00 17.92 C ATOM 175 CE LYS A 11 -8.576 -12.213 1.902 1.00 20.81 C ATOM 176 NZ LYS A 11 -9.541 -11.866 0.807 1.00 21.93 N ATOM 0 H LYS A 11 -7.370 -9.668 6.466 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.951 -12.112 5.892 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.878 -11.234 4.578 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.895 -9.878 4.063 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.380 -11.491 2.898 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.491 -12.777 3.323 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.541 -10.314 1.819 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.742 -11.597 0.932 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -8.318 -13.270 1.833 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -9.059 -12.065 2.868 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -10.510 -12.081 1.117 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.465 -10.853 0.586 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -9.318 -12.423 -0.042 1.00 21.93 H new ATOM 190 N THR A 12 -3.701 -11.553 4.892 1.00 9.63 N ATOM 191 CA THR A 12 -2.365 -11.162 4.386 1.00 9.85 C ATOM 192 C THR A 12 -2.259 -11.282 2.876 1.00 11.66 C ATOM 193 O THR A 12 -2.725 -12.218 2.218 1.00 12.33 O ATOM 194 CB THR A 12 -1.310 -12.037 5.026 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.560 -11.946 6.435 1.00 10.91 O ATOM 196 CG2 THR A 12 0.013 -11.406 4.864 1.00 9.63 C ATOM 0 H THR A 12 -3.885 -12.556 4.888 1.00 9.63 H new ATOM 0 HA THR A 12 -2.212 -10.115 4.647 1.00 9.85 H new ATOM 0 HB THR A 12 -1.334 -13.042 4.604 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.908 -12.495 6.919 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.775 -12.035 5.325 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.232 -11.288 3.803 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.011 -10.428 5.345 1.00 9.63 H new ATOM 204 N ILE A 13 -1.686 -10.203 2.241 1.00 10.42 N ATOM 205 CA ILE A 13 -1.448 -10.059 0.796 1.00 11.84 C ATOM 206 C ILE A 13 0.083 -9.961 0.672 1.00 10.55 C ATOM 207 O ILE A 13 0.781 -9.185 1.364 1.00 11.92 O ATOM 208 CB ILE A 13 -2.063 -8.762 0.263 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.608 -8.838 0.427 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.690 -8.570 -1.223 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.264 -7.488 0.076 1.00 16.46 C ATOM 0 H ILE A 13 -1.371 -9.386 2.764 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.886 -10.884 0.234 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.677 -7.911 0.824 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.008 -9.620 -0.218 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.856 -9.112 1.452 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.132 -7.645 -1.593 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.606 -8.519 -1.322 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.068 -9.411 -1.805 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.344 -7.566 0.198 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.879 -6.713 0.739 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.033 -7.229 -0.957 1.00 16.46 H new ATOM 223 N THR A 14 0.594 -10.797 -0.255 1.00 9.39 N ATOM 224 CA THR A 14 2.009 -10.819 -0.544 1.00 9.63 C ATOM 225 C THR A 14 2.209 -10.139 -1.889 1.00 11.20 C ATOM 226 O THR A 14 1.518 -10.530 -2.847 1.00 11.63 O ATOM 227 CB THR A 14 2.617 -12.160 -0.616 1.00 10.38 C ATOM 228 OG1 THR A 14 2.506 -12.793 0.649 1.00 16.30 O ATOM 229 CG2 THR A 14 4.137 -12.018 -0.884 1.00 11.66 C ATOM 0 H THR A 14 0.038 -11.454 -0.803 1.00 9.39 H new ATOM 0 HA THR A 14 2.502 -10.313 0.286 1.00 9.63 H new ATOM 0 HB THR A 14 2.116 -12.727 -1.400 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.908 -13.686 0.604 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.591 -13.008 -0.938 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.293 -11.495 -1.828 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.598 -11.451 -0.075 1.00 11.66 H new ATOM 237 N LEU A 15 3.058 -9.085 -1.903 1.00 8.29 N ATOM 238 CA LEU A 15 3.303 -8.338 -3.134 1.00 9.03 C ATOM 239 C LEU A 15 4.718 -8.501 -3.528 1.00 8.59 C ATOM 240 O LEU A 15 5.625 -8.554 -2.658 1.00 7.79 O ATOM 241 CB LEU A 15 3.091 -6.814 -3.099 1.00 11.08 C ATOM 242 CG LEU A 15 1.700 -6.304 -2.524 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.882 -4.785 -2.314 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.636 -6.716 -3.476 1.00 15.27 C ATOM 0 H LEU A 15 3.570 -8.747 -1.088 1.00 8.29 H new ATOM 0 HA LEU A 15 2.562 -8.757 -3.815 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.889 -6.372 -2.502 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.202 -6.431 -4.113 1.00 11.08 H new ATOM 0 HG LEU A 15 1.394 -6.729 -1.568 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.960 -4.360 -1.917 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.695 -4.610 -1.610 1.00 15.88 H new ATOM 0 HD13 LEU A 15 2.119 -4.312 -3.267 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.333 -6.379 -3.107 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.828 -6.270 -4.452 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.631 -7.802 -3.569 1.00 15.27 H new ATOM 256 N GLU A 16 4.976 -8.403 -4.819 1.00 11.04 N ATOM 257 CA GLU A 16 6.317 -8.469 -5.411 1.00 11.50 C ATOM 258 C GLU A 16 6.613 -7.065 -5.988 1.00 10.13 C ATOM 259 O GLU A 16 5.875 -6.528 -6.810 1.00 9.83 O ATOM 260 CB GLU A 16 6.258 -9.434 -6.621 1.00 17.22 C ATOM 261 CG GLU A 16 7.526 -9.565 -7.422 1.00 23.33 C ATOM 262 CD GLU A 16 7.385 -10.639 -8.477 1.00 26.99 C ATOM 263 OE1 GLU A 16 7.208 -11.850 -8.094 1.00 28.90 O ATOM 264 OE2 GLU A 16 7.479 -10.395 -9.767 1.00 28.86 O ATOM 0 H GLU A 16 4.241 -8.271 -5.514 1.00 11.04 H new ATOM 0 HA GLU A 16 7.058 -8.790 -4.679 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.977 -10.423 -6.259 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.463 -9.101 -7.288 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.763 -8.612 -7.896 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.357 -9.807 -6.759 1.00 23.33 H new ATOM 271 N VAL A 17 7.693 -6.393 -5.450 1.00 8.99 N ATOM 272 CA VAL A 17 7.948 -4.988 -5.680 1.00 8.85 C ATOM 273 C VAL A 17 9.426 -4.741 -5.991 1.00 8.04 C ATOM 274 O VAL A 17 10.294 -5.588 -5.825 1.00 8.99 O ATOM 275 CB VAL A 17 7.450 -4.042 -4.570 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.958 -4.311 -4.365 1.00 12.05 C ATOM 277 CG2 VAL A 17 8.180 -4.169 -3.233 1.00 10.54 C ATOM 0 H VAL A 17 8.387 -6.842 -4.852 1.00 8.99 H new ATOM 0 HA VAL A 17 7.346 -4.735 -6.553 1.00 8.85 H new ATOM 0 HB VAL A 17 7.653 -3.025 -4.906 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.574 -3.655 -3.583 1.00 12.05 H new ATOM 0 HG12 VAL A 17 5.423 -4.119 -5.295 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.813 -5.350 -4.070 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.757 -3.463 -2.519 1.00 10.54 H new ATOM 0 HG22 VAL A 17 8.066 -5.183 -2.851 1.00 10.54 H new ATOM 0 HG23 VAL A 17 9.239 -3.952 -3.374 1.00 10.54 H new ATOM 287 N GLU A 18 9.754 -3.541 -6.465 1.00 7.29 N ATOM 288 CA GLU A 18 11.134 -3.010 -6.330 1.00 7.08 C ATOM 289 C GLU A 18 11.035 -1.761 -5.514 1.00 6.45 C ATOM 290 O GLU A 18 9.998 -1.120 -5.460 1.00 5.28 O ATOM 291 CB GLU A 18 11.691 -2.657 -7.717 1.00 10.28 C ATOM 292 CG GLU A 18 12.053 -3.827 -8.637 1.00 12.65 C ATOM 293 CD GLU A 18 13.335 -4.537 -8.219 1.00 14.15 C ATOM 294 OE1 GLU A 18 14.075 -3.940 -7.360 1.00 18.17 O ATOM 295 OE2 GLU A 18 13.591 -5.644 -8.746 1.00 14.33 O ATOM 0 H GLU A 18 9.103 -2.916 -6.941 1.00 7.29 H new ATOM 0 HA GLU A 18 11.791 -3.745 -5.865 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.956 -2.037 -8.230 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.583 -2.046 -7.579 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.232 -4.544 -8.644 1.00 12.65 H new ATOM 0 HG3 GLU A 18 12.164 -3.459 -9.657 1.00 12.65 H new ATOM 302 N PRO A 19 12.142 -1.367 -4.872 1.00 7.24 N ATOM 303 CA PRO A 19 12.294 0.012 -4.344 1.00 7.07 C ATOM 304 C PRO A 19 11.903 1.197 -5.208 1.00 6.65 C ATOM 305 O PRO A 19 11.759 2.281 -4.678 1.00 6.37 O ATOM 306 CB PRO A 19 13.732 0.020 -3.966 1.00 7.61 C ATOM 307 CG PRO A 19 14.119 -1.439 -3.594 1.00 8.16 C ATOM 308 CD PRO A 19 13.353 -2.183 -4.599 1.00 7.49 C ATOM 0 HA PRO A 19 11.571 0.182 -3.546 1.00 7.07 H new ATOM 0 HB2 PRO A 19 14.345 0.382 -4.792 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.904 0.690 -3.124 1.00 7.61 H new ATOM 0 HG2 PRO A 19 15.191 -1.617 -3.675 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.829 -1.698 -2.576 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.938 -2.330 -5.507 1.00 7.49 H new ATOM 0 HD3 PRO A 19 13.083 -3.173 -4.231 1.00 7.49 H new ATOM 316 N SER A 20 11.656 0.967 -6.511 1.00 6.80 N ATOM 317 CA SER A 20 11.460 1.925 -7.549 1.00 6.28 C ATOM 318 C SER A 20 10.026 1.934 -8.009 1.00 8.45 C ATOM 319 O SER A 20 9.635 2.645 -8.977 1.00 7.26 O ATOM 320 CB SER A 20 12.335 1.680 -8.803 1.00 8.57 C ATOM 321 OG SER A 20 12.409 0.280 -9.072 1.00 11.13 O ATOM 0 H SER A 20 11.588 0.014 -6.867 1.00 6.80 H new ATOM 0 HA SER A 20 11.748 2.876 -7.102 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.913 2.203 -9.661 1.00 8.57 H new ATOM 0 HB3 SER A 20 13.335 2.083 -8.645 1.00 8.57 H new ATOM 0 HG SER A 20 12.962 0.128 -9.867 1.00 11.13 H new ATOM 327 N ASP A 21 9.146 1.222 -7.288 1.00 7.50 N ATOM 328 CA ASP A 21 7.713 1.244 -7.517 1.00 7.70 C ATOM 329 C ASP A 21 7.082 2.318 -6.709 1.00 7.08 C ATOM 330 O ASP A 21 7.613 2.695 -5.704 1.00 8.11 O ATOM 331 CB ASP A 21 7.021 -0.130 -7.197 1.00 11.00 C ATOM 332 CG ASP A 21 7.216 -1.070 -8.388 1.00 15.32 C ATOM 333 OD1 ASP A 21 6.489 -0.913 -9.401 1.00 14.36 O ATOM 334 OD2 ASP A 21 8.156 -1.912 -8.326 1.00 18.03 O ATOM 0 H ASP A 21 9.425 0.610 -6.521 1.00 7.50 H new ATOM 0 HA ASP A 21 7.570 1.439 -8.580 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.451 -0.568 -6.296 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.959 0.019 -7.004 1.00 11.00 H new ATOM 339 N THR A 22 5.971 2.939 -7.198 1.00 5.37 N ATOM 340 CA THR A 22 5.351 4.138 -6.563 1.00 6.01 C ATOM 341 C THR A 22 4.103 3.655 -5.887 1.00 8.01 C ATOM 342 O THR A 22 3.498 2.625 -6.141 1.00 8.11 O ATOM 343 CB THR A 22 4.917 5.205 -7.542 1.00 8.92 C ATOM 344 OG1 THR A 22 4.191 4.648 -8.649 1.00 10.22 O ATOM 345 CG2 THR A 22 6.114 5.943 -8.125 1.00 9.65 C ATOM 0 H THR A 22 5.484 2.625 -8.037 1.00 5.37 H new ATOM 0 HA THR A 22 6.096 4.583 -5.904 1.00 6.01 H new ATOM 0 HB THR A 22 4.282 5.886 -6.976 1.00 8.92 H new ATOM 0 HG1 THR A 22 4.818 4.403 -9.361 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.767 6.703 -8.825 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.675 6.419 -7.321 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.758 5.236 -8.647 1.00 9.65 H new ATOM 353 N ILE A 23 3.593 4.440 -4.939 1.00 8.32 N ATOM 354 CA ILE A 23 2.536 4.041 -4.022 1.00 9.92 C ATOM 355 C ILE A 23 1.226 3.816 -4.770 1.00 10.01 C ATOM 356 O ILE A 23 0.546 2.821 -4.504 1.00 8.71 O ATOM 357 CB ILE A 23 2.299 5.017 -2.874 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.614 5.475 -2.171 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.430 4.278 -1.786 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.634 4.341 -1.841 1.00 12.30 C ATOM 0 H ILE A 23 3.915 5.396 -4.787 1.00 8.32 H new ATOM 0 HA ILE A 23 2.886 3.110 -3.575 1.00 9.92 H new ATOM 0 HB ILE A 23 1.815 5.899 -3.294 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.108 6.209 -2.807 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.351 5.983 -1.243 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.243 4.952 -0.950 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.480 3.973 -2.225 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.965 3.398 -1.430 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.510 4.770 -1.355 1.00 12.30 H new ATOM 0 HD12 ILE A 23 4.168 3.615 -1.175 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.937 3.845 -2.763 1.00 12.30 H new ATOM 372 N GLU A 24 0.814 4.673 -5.746 1.00 9.54 N ATOM 373 CA GLU A 24 -0.345 4.479 -6.691 1.00 11.81 C ATOM 374 C GLU A 24 -0.353 3.134 -7.448 1.00 11.14 C ATOM 375 O GLU A 24 -1.364 2.445 -7.625 1.00 10.62 O ATOM 376 CB GLU A 24 -0.282 5.691 -7.724 1.00 19.24 C ATOM 377 CG GLU A 24 -1.388 5.628 -8.755 1.00 27.76 C ATOM 378 CD GLU A 24 -1.698 6.999 -9.397 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.882 7.482 -10.179 1.00 36.51 O ATOM 380 OE2 GLU A 24 -2.813 7.518 -9.113 1.00 34.80 O ATOM 0 H GLU A 24 1.295 5.558 -5.910 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.264 4.459 -6.105 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.350 6.633 -7.180 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.683 5.684 -8.230 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.108 4.923 -9.537 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.292 5.241 -8.286 1.00 27.76 H new ATOM 387 N ASN A 25 0.882 2.733 -7.824 1.00 9.43 N ATOM 388 CA ASN A 25 1.148 1.459 -8.395 1.00 10.96 C ATOM 389 C ASN A 25 1.098 0.242 -7.472 1.00 9.68 C ATOM 390 O ASN A 25 0.568 -0.842 -7.783 1.00 9.33 O ATOM 391 CB ASN A 25 2.388 1.503 -9.277 1.00 16.78 C ATOM 392 CG ASN A 25 1.995 2.149 -10.581 1.00 22.31 C ATOM 393 OD1 ASN A 25 1.110 1.665 -11.287 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.564 3.309 -10.905 1.00 24.70 N ATOM 0 H ASN A 25 1.712 3.318 -7.724 1.00 9.43 H new ATOM 0 HA ASN A 25 0.276 1.270 -9.020 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.183 2.070 -8.793 1.00 16.78 H new ATOM 0 HB3 ASN A 25 2.773 0.498 -9.448 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.267 3.805 -11.745 1.00 24.70 H new ATOM 0 HD22 ASN A 25 3.296 3.701 -10.313 1.00 24.70 H new ATOM 401 N VAL A 26 1.522 0.398 -6.183 1.00 6.52 N ATOM 402 CA VAL A 26 1.166 -0.545 -5.125 1.00 5.53 C ATOM 403 C VAL A 26 -0.366 -0.644 -4.848 1.00 4.42 C ATOM 404 O VAL A 26 -0.813 -1.788 -4.719 1.00 3.40 O ATOM 405 CB VAL A 26 1.948 -0.272 -3.832 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.540 -1.295 -2.767 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.416 -0.375 -4.225 1.00 8.12 C ATOM 0 H VAL A 26 2.109 1.172 -5.871 1.00 6.52 H new ATOM 0 HA VAL A 26 1.461 -1.523 -5.506 1.00 5.53 H new ATOM 0 HB VAL A 26 1.746 0.707 -3.398 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.094 -1.104 -1.848 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.471 -1.210 -2.571 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.765 -2.300 -3.123 1.00 7.25 H new ATOM 0 HG21 VAL A 26 4.040 -0.191 -3.351 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.620 -1.373 -4.613 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.640 0.366 -4.993 1.00 8.12 H new ATOM 417 N LYS A 27 -1.134 0.462 -4.853 1.00 2.64 N ATOM 418 CA LYS A 27 -2.561 0.370 -4.874 1.00 4.14 C ATOM 419 C LYS A 27 -3.160 -0.429 -5.997 1.00 5.58 C ATOM 420 O LYS A 27 -4.059 -1.262 -5.912 1.00 4.11 O ATOM 421 CB LYS A 27 -3.241 1.743 -4.804 1.00 3.97 C ATOM 422 CG LYS A 27 -2.902 2.500 -3.525 1.00 7.45 C ATOM 423 CD LYS A 27 -3.544 3.881 -3.394 1.00 9.02 C ATOM 424 CE LYS A 27 -3.035 4.642 -2.184 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.282 6.058 -2.284 1.00 15.47 N ATOM 0 H LYS A 27 -0.769 1.414 -4.843 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.767 -0.196 -3.965 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.939 2.339 -5.665 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.321 1.613 -4.870 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.206 1.894 -2.672 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.820 2.614 -3.466 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.342 4.460 -4.295 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.626 3.771 -3.322 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.515 4.254 -1.286 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.965 4.469 -2.073 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -2.978 6.526 -1.406 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -2.748 6.448 -3.087 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.298 6.224 -2.431 1.00 15.47 H new ATOM 439 N ALA A 28 -2.613 -0.265 -7.230 1.00 6.61 N ATOM 440 CA ALA A 28 -2.885 -1.056 -8.406 1.00 7.74 C ATOM 441 C ALA A 28 -2.609 -2.522 -8.308 1.00 9.17 C ATOM 442 O ALA A 28 -3.353 -3.367 -8.801 1.00 11.45 O ATOM 443 CB ALA A 28 -2.350 -0.342 -9.685 1.00 7.68 C ATOM 0 H ALA A 28 -1.933 0.473 -7.415 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.970 -1.094 -8.497 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.565 -0.955 -10.561 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.838 0.627 -9.792 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.273 -0.199 -9.598 1.00 7.68 H new ATOM 449 N LYS A 29 -1.479 -2.938 -7.627 1.00 8.96 N ATOM 450 CA LYS A 29 -1.177 -4.308 -7.298 1.00 7.90 C ATOM 451 C LYS A 29 -2.126 -4.895 -6.320 1.00 6.92 C ATOM 452 O LYS A 29 -2.565 -6.035 -6.421 1.00 6.87 O ATOM 453 CB LYS A 29 0.299 -4.505 -6.819 1.00 10.28 C ATOM 454 CG LYS A 29 1.226 -3.896 -7.914 1.00 14.94 C ATOM 455 CD LYS A 29 2.641 -3.580 -7.416 1.00 19.69 C ATOM 456 CE LYS A 29 3.649 -3.122 -8.528 1.00 22.63 C ATOM 457 NZ LYS A 29 3.699 -3.971 -9.766 1.00 24.98 N ATOM 0 H LYS A 29 -0.765 -2.285 -7.304 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.297 -4.853 -8.234 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.461 -4.012 -5.860 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.518 -5.563 -6.675 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.291 -4.592 -8.750 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.772 -2.981 -8.295 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.577 -2.797 -6.660 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.043 -4.466 -6.925 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.397 -2.103 -8.821 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.648 -3.090 -8.093 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.396 -3.577 -10.429 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 3.974 -4.941 -9.511 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 2.762 -3.984 -10.216 1.00 24.98 H new ATOM 471 N ILE A 30 -2.609 -4.089 -5.318 1.00 4.57 N ATOM 472 CA ILE A 30 -3.583 -4.493 -4.290 1.00 5.58 C ATOM 473 C ILE A 30 -4.930 -4.633 -5.007 1.00 7.26 C ATOM 474 O ILE A 30 -5.729 -5.548 -4.709 1.00 9.46 O ATOM 475 CB ILE A 30 -3.648 -3.566 -3.076 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.400 -3.769 -2.237 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.928 -3.869 -2.196 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.079 -2.532 -1.462 1.00 2.00 C ATOM 0 H ILE A 30 -2.313 -3.118 -5.216 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.272 -5.438 -3.845 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.710 -2.535 -3.424 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.547 -4.605 -1.553 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.560 -4.029 -2.882 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -4.949 -3.195 -1.340 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.826 -3.721 -2.796 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.893 -4.900 -1.845 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.181 -2.698 -0.867 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -1.910 -1.705 -2.151 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.912 -2.290 -0.802 1.00 2.00 H new ATOM 490 N GLN A 31 -5.282 -3.819 -6.079 1.00 7.06 N ATOM 491 CA GLN A 31 -6.422 -4.079 -6.848 1.00 8.67 C ATOM 492 C GLN A 31 -6.360 -5.297 -7.703 1.00 10.90 C ATOM 493 O GLN A 31 -7.336 -6.048 -7.877 1.00 9.63 O ATOM 494 CB GLN A 31 -6.689 -2.867 -7.789 1.00 9.12 C ATOM 495 CG GLN A 31 -8.044 -2.864 -8.546 1.00 10.76 C ATOM 496 CD GLN A 31 -8.093 -1.694 -9.540 1.00 13.78 C ATOM 497 OE1 GLN A 31 -8.958 -0.885 -9.481 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.169 -1.639 -10.486 1.00 14.76 N ATOM 0 H GLN A 31 -4.751 -2.999 -6.373 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.215 -4.248 -6.120 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.627 -1.954 -7.196 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.887 -2.823 -8.525 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.175 -3.807 -9.076 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.866 -2.782 -7.835 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.432 -2.344 -10.521 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.193 -0.892 -11.180 1.00 14.76 H new ATOM 507 N ASP A 32 -5.191 -5.704 -8.240 1.00 10.93 N ATOM 508 CA ASP A 32 -4.967 -6.922 -8.900 1.00 14.01 C ATOM 509 C ASP A 32 -5.123 -8.116 -7.990 1.00 14.04 C ATOM 510 O ASP A 32 -5.623 -9.161 -8.410 1.00 13.39 O ATOM 511 CB ASP A 32 -3.498 -6.701 -9.421 1.00 18.01 C ATOM 512 CG ASP A 32 -3.428 -7.446 -10.724 1.00 24.33 C ATOM 513 OD1 ASP A 32 -4.131 -7.042 -11.688 1.00 25.17 O ATOM 514 OD2 ASP A 32 -2.682 -8.451 -10.778 1.00 26.29 O ATOM 0 H ASP A 32 -4.352 -5.125 -8.200 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.681 -7.153 -9.691 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.285 -5.641 -9.561 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.766 -7.082 -8.709 1.00 18.01 H new ATOM 519 N LYS A 33 -4.691 -8.005 -6.702 1.00 14.22 N ATOM 520 CA LYS A 33 -4.798 -9.075 -5.705 1.00 14.00 C ATOM 521 C LYS A 33 -6.237 -9.182 -5.135 1.00 12.37 C ATOM 522 O LYS A 33 -6.750 -10.273 -5.010 1.00 12.17 O ATOM 523 CB LYS A 33 -3.935 -8.797 -4.402 1.00 18.62 C ATOM 524 CG LYS A 33 -2.427 -8.892 -4.733 1.00 24.00 C ATOM 525 CD LYS A 33 -1.932 -10.322 -4.766 1.00 27.61 C ATOM 526 CE LYS A 33 -0.483 -10.340 -5.294 1.00 27.64 C ATOM 527 NZ LYS A 33 0.090 -11.679 -4.984 1.00 30.06 N ATOM 0 H LYS A 33 -4.257 -7.157 -6.338 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.468 -9.963 -6.245 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.167 -7.808 -4.007 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.191 -9.518 -3.626 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -2.240 -8.423 -5.699 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.859 -8.331 -3.991 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -1.974 -10.758 -3.768 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.573 -10.928 -5.406 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.464 -10.154 -6.368 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.106 -9.553 -4.824 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.625 -12.026 -5.805 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 0.725 -11.604 -4.164 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.679 -12.344 -4.766 1.00 30.06 H new ATOM 541 N GLU A 34 -6.921 -8.086 -4.789 1.00 10.11 N ATOM 542 CA GLU A 34 -8.123 -8.104 -3.990 1.00 10.07 C ATOM 543 C GLU A 34 -9.315 -7.405 -4.681 1.00 9.32 C ATOM 544 O GLU A 34 -10.372 -7.276 -4.091 1.00 11.61 O ATOM 545 CB GLU A 34 -7.894 -7.460 -2.637 1.00 14.77 C ATOM 546 CG GLU A 34 -7.329 -8.478 -1.605 1.00 18.75 C ATOM 547 CD GLU A 34 -8.330 -9.515 -1.106 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.568 -10.673 -1.593 1.00 21.95 O ATOM 549 OE2 GLU A 34 -8.950 -9.238 -0.051 1.00 25.19 O ATOM 0 H GLU A 34 -6.637 -7.147 -5.069 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.374 -9.157 -3.862 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.200 -6.626 -2.743 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.833 -7.048 -2.266 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.484 -8.999 -2.056 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.943 -7.927 -0.748 1.00 18.75 H new ATOM 556 N GLY A 35 -9.300 -6.942 -5.908 1.00 7.22 N ATOM 557 CA GLY A 35 -10.394 -6.186 -6.581 1.00 6.29 C ATOM 558 C GLY A 35 -10.844 -4.860 -5.876 1.00 6.93 C ATOM 559 O GLY A 35 -12.022 -4.518 -5.943 1.00 7.41 O ATOM 0 H GLY A 35 -8.494 -7.076 -6.518 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.073 -5.945 -7.594 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.261 -6.841 -6.669 1.00 6.29 H new ATOM 563 N ILE A 36 -9.919 -4.165 -5.193 1.00 5.86 N ATOM 564 CA ILE A 36 -10.267 -2.958 -4.408 1.00 6.07 C ATOM 565 C ILE A 36 -9.715 -1.767 -5.207 1.00 6.36 C ATOM 566 O ILE A 36 -8.502 -1.760 -5.419 1.00 6.18 O ATOM 567 CB ILE A 36 -9.567 -3.004 -2.964 1.00 7.47 C ATOM 568 CG1 ILE A 36 -9.964 -4.224 -2.150 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.017 -1.707 -2.174 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.188 -4.349 -0.821 1.00 9.49 C ATOM 0 H ILE A 36 -8.930 -4.412 -5.165 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.343 -2.886 -4.251 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.488 -3.053 -3.112 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.032 -4.178 -1.936 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -9.796 -5.121 -2.747 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.558 -1.706 -1.185 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.701 -0.819 -2.722 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.102 -1.702 -2.071 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.519 -5.241 -0.289 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.121 -4.426 -1.029 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.375 -3.469 -0.206 1.00 9.49 H new ATOM 582 N PRO A 37 -10.519 -0.777 -5.705 1.00 8.65 N ATOM 583 CA PRO A 37 -10.041 0.380 -6.342 1.00 9.18 C ATOM 584 C PRO A 37 -8.889 1.129 -5.631 1.00 9.85 C ATOM 585 O PRO A 37 -8.895 1.048 -4.406 1.00 8.51 O ATOM 586 CB PRO A 37 -11.354 1.208 -6.449 1.00 11.42 C ATOM 587 CG PRO A 37 -12.493 0.241 -6.631 1.00 9.27 C ATOM 588 CD PRO A 37 -12.010 -0.913 -5.790 1.00 8.33 C ATOM 0 HA PRO A 37 -9.548 0.164 -7.290 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.502 1.808 -5.551 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.302 1.900 -7.290 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.441 0.645 -6.275 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.637 -0.038 -7.675 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.460 -0.886 -4.798 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.288 -1.866 -6.240 1.00 8.33 H new ATOM 596 N PRO A 38 -8.009 1.856 -6.257 1.00 8.71 N ATOM 597 CA PRO A 38 -7.079 2.691 -5.527 1.00 9.08 C ATOM 598 C PRO A 38 -7.623 3.716 -4.599 1.00 9.28 C ATOM 599 O PRO A 38 -7.009 3.931 -3.540 1.00 6.50 O ATOM 600 CB PRO A 38 -6.319 3.384 -6.656 1.00 10.31 C ATOM 601 CG PRO A 38 -6.132 2.210 -7.628 1.00 10.81 C ATOM 602 CD PRO A 38 -7.495 1.600 -7.594 1.00 12.00 C ATOM 0 HA PRO A 38 -6.512 2.062 -4.840 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.888 4.202 -7.098 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.369 3.801 -6.322 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.852 2.542 -8.628 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.360 1.516 -7.295 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -8.141 2.042 -8.353 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.450 0.530 -7.798 1.00 12.00 H new ATOM 610 N ASP A 39 -8.790 4.326 -5.023 1.00 11.20 N ATOM 611 CA ASP A 39 -9.409 5.465 -4.383 1.00 14.96 C ATOM 612 C ASP A 39 -10.293 5.006 -3.244 1.00 13.99 C ATOM 613 O ASP A 39 -10.887 5.803 -2.486 1.00 13.75 O ATOM 614 CB ASP A 39 -10.079 6.328 -5.477 1.00 24.16 C ATOM 615 CG ASP A 39 -9.124 6.674 -6.489 1.00 31.06 C ATOM 616 OD1 ASP A 39 -8.270 7.551 -6.250 1.00 34.22 O ATOM 617 OD2 ASP A 39 -9.237 6.261 -7.709 1.00 35.55 O ATOM 0 H ASP A 39 -9.307 4.002 -5.841 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.686 6.119 -3.895 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -10.910 5.782 -5.923 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -10.494 7.233 -5.033 1.00 24.16 H new ATOM 622 N GLN A 40 -10.244 3.684 -2.996 1.00 11.60 N ATOM 623 CA GLN A 40 -10.730 3.123 -1.781 1.00 10.76 C ATOM 624 C GLN A 40 -9.628 2.647 -0.861 1.00 8.01 C ATOM 625 O GLN A 40 -9.962 2.178 0.235 1.00 8.96 O ATOM 626 CB GLN A 40 -11.698 1.909 -1.960 1.00 11.14 C ATOM 627 CG GLN A 40 -12.844 2.281 -2.925 1.00 14.85 C ATOM 628 CD GLN A 40 -13.934 1.249 -3.082 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.798 0.142 -2.522 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.039 1.630 -3.732 1.00 18.16 N ATOM 0 H GLN A 40 -9.862 3.000 -3.649 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.273 3.963 -1.348 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.149 1.051 -2.348 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.107 1.615 -0.994 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.297 3.210 -2.579 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.416 2.481 -3.907 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.082 2.551 -4.168 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.838 0.999 -3.792 1.00 18.16 H new ATOM 639 N GLN A 41 -8.323 2.779 -1.268 1.00 6.52 N ATOM 640 CA GLN A 41 -7.199 2.432 -0.358 1.00 3.87 C ATOM 641 C GLN A 41 -6.423 3.558 0.302 1.00 4.79 C ATOM 642 O GLN A 41 -6.146 4.564 -0.339 1.00 6.34 O ATOM 643 CB GLN A 41 -6.245 1.625 -1.108 1.00 4.20 C ATOM 644 CG GLN A 41 -6.887 0.388 -1.809 1.00 3.20 C ATOM 645 CD GLN A 41 -5.898 -0.453 -2.629 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.841 -0.791 -2.051 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.200 -0.806 -3.881 1.00 7.13 N ATOM 0 H GLN A 41 -8.039 3.112 -2.189 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.691 1.926 0.473 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.766 2.251 -1.861 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.461 1.283 -0.432 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.346 -0.247 -1.052 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.687 0.731 -2.465 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.078 -0.500 -4.299 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.552 -1.382 -4.419 1.00 7.13 H new ATOM 656 N ARG A 42 -6.153 3.418 1.576 1.00 5.73 N ATOM 657 CA ARG A 42 -5.178 4.257 2.258 1.00 6.97 C ATOM 658 C ARG A 42 -4.165 3.207 2.814 1.00 7.15 C ATOM 659 O ARG A 42 -4.532 2.186 3.430 1.00 7.33 O ATOM 660 CB ARG A 42 -5.714 5.114 3.420 1.00 13.23 C ATOM 661 CG ARG A 42 -6.468 6.393 3.023 1.00 21.27 C ATOM 662 CD ARG A 42 -6.187 7.586 3.857 1.00 26.14 C ATOM 663 NE ARG A 42 -6.947 8.671 3.270 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.214 8.943 3.682 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.889 8.066 4.445 1.00 35.30 N ATOM 666 NH2 ARG A 42 -8.782 10.076 3.310 1.00 36.39 N ATOM 0 H ARG A 42 -6.598 2.723 2.175 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.781 5.001 1.568 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.379 4.497 4.024 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.874 5.394 4.056 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.225 6.630 1.987 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.538 6.189 3.061 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.484 7.417 4.892 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.121 7.815 3.864 1.00 26.14 H new ATOM 0 HE ARG A 42 -6.525 9.240 2.536 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.451 7.187 4.720 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.839 8.280 4.749 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -8.271 10.734 2.721 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -9.732 10.293 3.611 1.00 36.39 H new ATOM 680 N LEU A 43 -2.890 3.459 2.529 1.00 4.65 N ATOM 681 CA LEU A 43 -1.866 2.557 2.945 1.00 3.51 C ATOM 682 C LEU A 43 -0.939 3.209 3.970 1.00 5.56 C ATOM 683 O LEU A 43 -0.388 4.274 3.741 1.00 4.19 O ATOM 684 CB LEU A 43 -0.877 2.201 1.743 1.00 3.74 C ATOM 685 CG LEU A 43 -1.639 1.615 0.561 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.607 1.262 -0.515 1.00 9.55 C ATOM 687 CD2 LEU A 43 -2.304 0.300 0.966 1.00 6.41 C ATOM 0 H LEU A 43 -2.562 4.277 2.016 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.395 1.687 3.334 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.345 3.099 1.428 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.126 1.489 2.085 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.387 2.330 0.218 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.115 0.838 -1.381 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.071 2.163 -0.814 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.100 0.534 -0.116 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.846 -0.111 0.114 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -1.541 -0.409 1.287 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.999 0.481 1.786 1.00 6.41 H new ATOM 699 N ILE A 44 -0.823 2.619 5.149 1.00 4.58 N ATOM 700 CA ILE A 44 -0.306 3.228 6.342 1.00 5.55 C ATOM 701 C ILE A 44 0.851 2.460 6.974 1.00 5.46 C ATOM 702 O ILE A 44 0.748 1.270 7.148 1.00 6.04 O ATOM 703 CB ILE A 44 -1.347 3.386 7.413 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.097 4.730 7.262 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.882 3.362 8.873 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.928 5.088 5.960 1.00 13.90 C ATOM 0 H ILE A 44 -1.105 1.650 5.296 1.00 4.58 H new ATOM 0 HA ILE A 44 0.042 4.200 5.992 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.955 2.497 7.244 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.786 4.802 8.104 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -1.356 5.519 7.388 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.742 3.487 9.531 1.00 7.39 H new ATOM 0 HG22 ILE A 44 -0.398 2.408 9.085 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.174 4.173 9.043 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.369 6.078 6.071 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.267 5.080 5.093 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -3.719 4.352 5.820 1.00 13.90 H new ATOM 718 N PHE A 45 2.011 3.116 7.292 1.00 6.75 N ATOM 719 CA PHE A 45 3.156 2.485 7.903 1.00 4.70 C ATOM 720 C PHE A 45 3.718 3.390 8.993 1.00 6.34 C ATOM 721 O PHE A 45 4.181 4.486 8.660 1.00 5.45 O ATOM 722 CB PHE A 45 4.270 2.315 6.857 1.00 5.51 C ATOM 723 CG PHE A 45 5.539 1.559 7.381 1.00 5.98 C ATOM 724 CD1 PHE A 45 6.607 2.253 7.962 1.00 5.87 C ATOM 725 CD2 PHE A 45 5.564 0.152 7.212 1.00 6.86 C ATOM 726 CE1 PHE A 45 7.713 1.530 8.394 1.00 6.64 C ATOM 727 CE2 PHE A 45 6.764 -0.519 7.510 1.00 6.68 C ATOM 728 CZ PHE A 45 7.790 0.127 8.224 1.00 6.84 C ATOM 0 H PHE A 45 2.147 4.111 7.116 1.00 6.75 H new ATOM 0 HA PHE A 45 2.843 1.523 8.309 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.868 1.775 6.000 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.570 3.300 6.500 1.00 5.51 H new ATOM 0 HD1 PHE A 45 6.572 3.327 8.072 1.00 5.87 H new ATOM 0 HD2 PHE A 45 4.693 -0.386 6.867 1.00 6.86 H new ATOM 0 HE1 PHE A 45 8.531 2.050 8.870 1.00 6.64 H new ATOM 0 HE2 PHE A 45 6.899 -1.541 7.187 1.00 6.68 H new ATOM 0 HZ PHE A 45 8.617 -0.435 8.633 1.00 6.84 H new ATOM 738 N ALA A 46 3.705 2.992 10.273 1.00 6.53 N ATOM 739 CA ALA A 46 4.251 3.679 11.463 1.00 7.15 C ATOM 740 C ALA A 46 3.886 5.164 11.648 1.00 9.00 C ATOM 741 O ALA A 46 4.663 6.090 11.532 1.00 11.15 O ATOM 742 CB ALA A 46 5.695 3.394 11.729 1.00 8.99 C ATOM 0 H ALA A 46 3.275 2.103 10.530 1.00 6.53 H new ATOM 0 HA ALA A 46 3.687 3.194 12.259 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.015 3.937 12.618 1.00 8.99 H new ATOM 0 HB2 ALA A 46 5.831 2.324 11.888 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.292 3.713 10.875 1.00 8.99 H new ATOM 748 N GLY A 47 2.581 5.443 11.744 1.00 9.35 N ATOM 749 CA GLY A 47 2.001 6.773 12.007 1.00 11.68 C ATOM 750 C GLY A 47 1.958 7.602 10.824 1.00 11.14 C ATOM 751 O GLY A 47 1.942 8.832 10.904 1.00 13.93 O ATOM 0 H GLY A 47 1.868 4.722 11.637 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.991 6.654 12.400 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.586 7.275 12.777 1.00 11.68 H new ATOM 755 N LYS A 48 2.013 6.992 9.604 1.00 10.47 N ATOM 756 CA LYS A 48 2.203 7.802 8.398 1.00 8.82 C ATOM 757 C LYS A 48 1.394 7.282 7.254 1.00 7.68 C ATOM 758 O LYS A 48 1.335 6.061 7.109 1.00 6.47 O ATOM 759 CB LYS A 48 3.703 7.731 7.965 1.00 9.74 C ATOM 760 CG LYS A 48 4.709 8.307 8.996 1.00 14.14 C ATOM 761 CD LYS A 48 6.153 8.247 8.503 1.00 16.32 C ATOM 762 CE LYS A 48 6.660 6.908 7.999 1.00 20.04 C ATOM 763 NZ LYS A 48 8.053 6.966 7.640 1.00 23.92 N ATOM 0 H LYS A 48 1.931 5.987 9.448 1.00 10.47 H new ATOM 0 HA LYS A 48 1.892 8.820 8.634 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.961 6.690 7.770 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.820 8.270 7.025 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.446 9.342 9.215 1.00 14.14 H new ATOM 0 HG3 LYS A 48 4.624 7.752 9.930 1.00 14.14 H new ATOM 0 HD2 LYS A 48 6.266 8.975 7.700 1.00 16.32 H new ATOM 0 HD3 LYS A 48 6.802 8.569 9.318 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.514 6.151 8.769 1.00 20.04 H new ATOM 0 HE3 LYS A 48 6.074 6.600 7.133 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 8.363 6.033 7.300 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 8.189 7.671 6.887 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 8.615 7.236 8.472 1.00 23.92 H new ATOM 777 N GLN A 49 0.858 8.116 6.358 1.00 8.89 N ATOM 778 CA GLN A 49 0.118 7.723 5.206 1.00 7.18 C ATOM 779 C GLN A 49 0.982 7.941 3.978 1.00 8.23 C ATOM 780 O GLN A 49 1.782 8.890 3.890 1.00 9.70 O ATOM 781 CB GLN A 49 -1.171 8.537 4.996 1.00 11.67 C ATOM 782 CG GLN A 49 -2.005 8.691 6.279 1.00 15.82 C ATOM 783 CD GLN A 49 -3.436 9.244 6.048 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.632 10.279 5.354 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.504 8.573 6.588 1.00 20.67 N ATOM 0 H GLN A 49 0.946 9.129 6.441 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.158 6.679 5.357 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.911 9.526 4.618 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.778 8.053 4.231 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.078 7.720 6.770 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -1.478 9.355 6.964 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.349 7.736 7.150 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.453 8.911 6.428 1.00 20.67 H new ATOM 794 N LEU A 50 0.941 6.981 3.060 1.00 6.51 N ATOM 795 CA LEU A 50 1.914 6.916 1.955 1.00 7.41 C ATOM 796 C LEU A 50 1.260 7.457 0.732 1.00 8.27 C ATOM 797 O LEU A 50 0.261 6.923 0.235 1.00 8.34 O ATOM 798 CB LEU A 50 2.559 5.526 1.721 1.00 7.13 C ATOM 799 CG LEU A 50 3.019 4.808 3.044 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.512 3.347 2.900 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.087 5.625 3.737 1.00 9.11 C ATOM 0 H LEU A 50 0.247 6.233 3.052 1.00 6.51 H new ATOM 0 HA LEU A 50 2.771 7.529 2.234 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.845 4.887 1.202 1.00 7.13 H new ATOM 0 HB3 LEU A 50 3.420 5.642 1.063 1.00 7.13 H new ATOM 0 HG LEU A 50 2.107 4.742 3.637 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.801 2.962 3.878 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.711 2.732 2.490 1.00 8.14 H new ATOM 0 HD13 LEU A 50 4.372 3.317 2.230 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.397 5.118 4.651 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.946 5.738 3.075 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.689 6.609 3.985 1.00 9.11 H new ATOM 813 N GLU A 51 1.756 8.575 0.261 1.00 9.43 N ATOM 814 CA GLU A 51 1.210 9.355 -0.816 1.00 11.90 C ATOM 815 C GLU A 51 1.528 8.837 -2.155 1.00 11.49 C ATOM 816 O GLU A 51 2.614 8.196 -2.314 1.00 9.88 O ATOM 817 CB GLU A 51 1.858 10.776 -0.694 1.00 16.56 C ATOM 818 CG GLU A 51 1.333 11.910 -1.665 1.00 26.06 C ATOM 819 CD GLU A 51 2.124 13.150 -1.470 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.207 13.273 -2.071 1.00 32.13 O ATOM 821 OE2 GLU A 51 1.628 13.999 -0.658 1.00 33.44 O ATOM 0 H GLU A 51 2.605 8.988 0.646 1.00 9.43 H new ATOM 0 HA GLU A 51 0.124 9.342 -0.726 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.719 11.121 0.331 1.00 16.56 H new ATOM 0 HB3 GLU A 51 2.931 10.670 -0.852 1.00 16.56 H new ATOM 0 HG2 GLU A 51 1.410 11.578 -2.700 1.00 26.06 H new ATOM 0 HG3 GLU A 51 0.279 12.107 -1.471 1.00 26.06 H new ATOM 828 N ASP A 52 0.652 9.009 -3.162 1.00 12.71 N ATOM 829 CA ASP A 52 0.552 8.190 -4.385 1.00 16.56 C ATOM 830 C ASP A 52 1.795 8.219 -5.324 1.00 15.83 C ATOM 831 O ASP A 52 2.318 7.179 -5.702 1.00 17.21 O ATOM 832 CB ASP A 52 -0.663 8.767 -5.183 1.00 21.05 C ATOM 833 CG ASP A 52 -1.940 8.448 -4.427 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.336 7.257 -4.348 1.00 28.37 O ATOM 835 OD2 ASP A 52 -2.565 9.411 -3.941 1.00 25.82 O ATOM 0 H ASP A 52 -0.039 9.759 -3.144 1.00 12.71 H new ATOM 0 HA ASP A 52 0.454 7.151 -4.072 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.556 9.845 -5.306 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.698 8.334 -6.183 1.00 21.05 H new ATOM 840 N GLY A 53 2.282 9.432 -5.616 1.00 15.00 N ATOM 841 CA GLY A 53 3.343 9.589 -6.580 1.00 11.77 C ATOM 842 C GLY A 53 4.673 9.302 -6.187 1.00 11.10 C ATOM 843 O GLY A 53 5.429 9.100 -7.143 1.00 11.25 O ATOM 0 H GLY A 53 1.953 10.301 -5.196 1.00 15.00 H new ATOM 0 HA2 GLY A 53 3.108 8.955 -7.435 1.00 11.77 H new ATOM 0 HA3 GLY A 53 3.319 10.620 -6.932 1.00 11.77 H new ATOM 847 N ARG A 54 5.021 9.167 -4.900 1.00 8.53 N ATOM 848 CA ARG A 54 6.338 8.912 -4.481 1.00 9.05 C ATOM 849 C ARG A 54 6.679 7.398 -4.384 1.00 8.96 C ATOM 850 O ARG A 54 5.798 6.551 -4.575 1.00 11.60 O ATOM 851 CB ARG A 54 6.707 9.473 -3.089 1.00 7.97 C ATOM 852 CG ARG A 54 5.824 10.684 -2.565 1.00 9.62 C ATOM 853 CD ARG A 54 6.406 11.309 -1.242 1.00 12.20 C ATOM 854 NE ARG A 54 5.354 12.261 -0.784 1.00 18.23 N ATOM 855 CZ ARG A 54 5.430 12.892 0.368 1.00 22.08 C ATOM 856 NH1 ARG A 54 6.440 12.710 1.210 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.500 13.809 0.712 1.00 23.38 N ATOM 0 H ARG A 54 4.354 9.240 -4.132 1.00 8.53 H new ATOM 0 HA ARG A 54 6.902 9.418 -5.264 1.00 9.05 H new ATOM 0 HB2 ARG A 54 6.641 8.662 -2.364 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.748 9.794 -3.114 1.00 7.97 H new ATOM 0 HG2 ARG A 54 5.769 11.453 -3.336 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.806 10.339 -2.386 1.00 9.62 H new ATOM 0 HD2 ARG A 54 6.600 10.542 -0.493 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.351 11.820 -1.427 1.00 12.20 H new ATOM 0 HE ARG A 54 4.547 12.429 -1.385 1.00 18.23 H new ATOM 0 HH11 ARG A 54 7.192 12.063 0.972 1.00 25.50 H new ATOM 0 HH12 ARG A 54 6.464 13.217 2.094 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.730 14.018 0.076 1.00 23.38 H new ATOM 0 HH22 ARG A 54 4.568 14.293 1.607 1.00 23.38 H new ATOM 871 N THR A 55 7.961 7.082 -4.258 1.00 9.05 N ATOM 872 CA THR A 55 8.422 5.632 -4.286 1.00 9.03 C ATOM 873 C THR A 55 8.552 5.039 -2.922 1.00 8.15 C ATOM 874 O THR A 55 8.742 5.681 -1.882 1.00 5.91 O ATOM 875 CB THR A 55 9.667 5.309 -5.060 1.00 11.15 C ATOM 876 OG1 THR A 55 10.876 5.828 -4.569 1.00 11.95 O ATOM 877 CG2 THR A 55 9.573 5.781 -6.532 1.00 11.71 C ATOM 0 H THR A 55 8.710 7.764 -4.137 1.00 9.05 H new ATOM 0 HA THR A 55 7.602 5.177 -4.842 1.00 9.03 H new ATOM 0 HB THR A 55 9.703 4.225 -4.956 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.809 6.803 -4.499 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.495 5.527 -7.055 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.732 5.288 -7.019 1.00 11.71 H new ATOM 0 HG23 THR A 55 9.426 6.861 -6.559 1.00 11.71 H new ATOM 885 N LEU A 56 8.698 3.718 -2.881 1.00 6.91 N ATOM 886 CA LEU A 56 9.070 2.944 -1.719 1.00 8.29 C ATOM 887 C LEU A 56 10.489 3.352 -1.164 1.00 8.05 C ATOM 888 O LEU A 56 10.648 3.510 0.040 1.00 10.17 O ATOM 889 CB LEU A 56 8.980 1.439 -2.031 1.00 6.60 C ATOM 890 CG LEU A 56 7.550 0.820 -2.181 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.630 -0.660 -2.461 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.720 1.103 -0.976 1.00 8.64 C ATOM 0 H LEU A 56 8.550 3.135 -3.705 1.00 6.91 H new ATOM 0 HA LEU A 56 8.360 3.167 -0.922 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.526 1.253 -2.956 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.500 0.899 -1.240 1.00 6.60 H new ATOM 0 HG LEU A 56 7.063 1.291 -3.035 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.624 -1.066 -2.561 1.00 9.85 H new ATOM 0 HD12 LEU A 56 8.182 -0.826 -3.386 1.00 9.85 H new ATOM 0 HD13 LEU A 56 8.143 -1.159 -1.638 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.731 0.663 -1.104 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.198 0.673 -0.096 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.623 2.181 -0.846 1.00 8.64 H new ATOM 904 N SER A 57 11.472 3.588 -2.039 1.00 8.92 N ATOM 905 CA SER A 57 12.680 4.240 -1.614 1.00 9.00 C ATOM 906 C SER A 57 12.589 5.625 -0.929 1.00 9.44 C ATOM 907 O SER A 57 13.402 5.965 -0.050 1.00 10.91 O ATOM 908 CB SER A 57 13.733 4.326 -2.807 1.00 10.32 C ATOM 909 OG SER A 57 13.410 5.354 -3.774 1.00 13.59 O ATOM 0 H SER A 57 11.442 3.336 -3.027 1.00 8.92 H new ATOM 0 HA SER A 57 12.999 3.578 -0.809 1.00 9.00 H new ATOM 0 HB2 SER A 57 14.724 4.520 -2.396 1.00 10.32 H new ATOM 0 HB3 SER A 57 13.781 3.361 -3.313 1.00 10.32 H new ATOM 0 HG SER A 57 12.449 5.334 -3.964 1.00 13.59 H new ATOM 915 N ASP A 58 11.617 6.485 -1.392 1.00 9.11 N ATOM 916 CA ASP A 58 11.399 7.843 -0.839 1.00 7.91 C ATOM 917 C ASP A 58 10.766 7.811 0.517 1.00 9.12 C ATOM 918 O ASP A 58 10.752 8.844 1.172 1.00 8.61 O ATOM 919 CB ASP A 58 10.512 8.643 -1.737 1.00 8.41 C ATOM 920 CG ASP A 58 11.125 8.834 -3.076 1.00 11.50 C ATOM 921 OD1 ASP A 58 12.241 9.442 -3.141 1.00 10.05 O ATOM 922 OD2 ASP A 58 10.474 8.405 -4.085 1.00 11.70 O ATOM 0 H ASP A 58 10.978 6.246 -2.150 1.00 9.11 H new ATOM 0 HA ASP A 58 12.386 8.299 -0.762 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.551 8.140 -1.844 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.314 9.614 -1.284 1.00 8.41 H new ATOM 927 N TYR A 59 10.209 6.680 0.962 1.00 7.97 N ATOM 928 CA TYR A 59 9.724 6.455 2.245 1.00 8.45 C ATOM 929 C TYR A 59 10.601 5.505 3.067 1.00 10.98 C ATOM 930 O TYR A 59 10.188 5.230 4.222 1.00 12.95 O ATOM 931 CB TYR A 59 8.259 5.888 2.152 1.00 7.94 C ATOM 932 CG TYR A 59 7.325 7.103 1.955 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.845 7.783 3.069 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.636 7.286 0.753 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.799 8.688 2.977 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.598 8.155 0.631 1.00 6.52 C ATOM 937 CZ TYR A 59 5.140 8.915 1.744 1.00 6.76 C ATOM 938 OH TYR A 59 4.131 9.725 1.457 1.00 7.63 O ATOM 0 H TYR A 59 10.097 5.865 0.358 1.00 7.97 H new ATOM 0 HA TYR A 59 9.735 7.412 2.766 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.166 5.190 1.320 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.997 5.341 3.058 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.299 7.601 4.032 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.940 6.715 -0.112 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.482 9.227 3.857 1.00 5.39 H new ATOM 0 HE2 TYR A 59 5.112 8.271 -0.327 1.00 6.52 H new ATOM 0 HH TYR A 59 4.414 10.372 0.777 1.00 7.63 H new ATOM 948 N ASN A 60 11.773 4.989 2.533 1.00 12.38 N ATOM 949 CA ASN A 60 12.825 4.162 3.132 1.00 13.94 C ATOM 950 C ASN A 60 12.257 2.819 3.583 1.00 14.16 C ATOM 951 O ASN A 60 12.471 2.362 4.710 1.00 14.26 O ATOM 952 CB ASN A 60 13.504 4.828 4.331 1.00 19.23 C ATOM 953 CG ASN A 60 14.097 6.106 3.812 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.436 7.166 3.874 1.00 25.45 O ATOM 955 ND2 ASN A 60 15.374 6.189 3.473 1.00 24.09 N ATOM 0 H ASN A 60 11.999 5.184 1.558 1.00 12.38 H new ATOM 0 HA ASN A 60 13.575 4.023 2.354 1.00 13.94 H new ATOM 0 HB2 ASN A 60 12.785 5.026 5.126 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.275 4.182 4.751 1.00 19.23 H new ATOM 0 HD21 ASN A 60 15.790 7.098 3.272 1.00 24.09 H new ATOM 0 HD22 ASN A 60 15.942 5.344 3.413 1.00 24.09 H new ATOM 962 N ILE A 61 11.524 2.080 2.696 1.00 11.08 N ATOM 963 CA ILE A 61 10.841 0.845 3.088 1.00 11.78 C ATOM 964 C ILE A 61 11.721 -0.372 2.815 1.00 13.74 C ATOM 965 O ILE A 61 11.994 -0.865 1.695 1.00 14.60 O ATOM 966 CB ILE A 61 9.490 0.821 2.427 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.520 1.736 3.237 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.896 -0.604 2.428 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.175 2.035 2.540 1.00 11.42 C ATOM 0 H ILE A 61 11.402 2.331 1.715 1.00 11.08 H new ATOM 0 HA ILE A 61 10.665 0.809 4.163 1.00 11.78 H new ATOM 0 HB ILE A 61 9.606 1.165 1.399 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.317 1.265 4.199 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.023 2.680 3.445 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.919 -0.591 1.944 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.561 -1.276 1.886 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.787 -0.952 3.455 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.569 2.677 3.179 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.361 2.538 1.591 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.644 1.101 2.357 1.00 11.42 H new ATOM 981 N GLN A 62 12.145 -1.015 3.941 1.00 13.97 N ATOM 982 CA GLN A 62 13.006 -2.181 3.941 1.00 15.52 C ATOM 983 C GLN A 62 12.312 -3.360 3.207 1.00 13.94 C ATOM 984 O GLN A 62 11.097 -3.424 3.225 1.00 12.15 O ATOM 985 CB GLN A 62 13.478 -2.621 5.371 1.00 19.53 C ATOM 986 CG GLN A 62 14.052 -1.507 6.305 1.00 26.38 C ATOM 987 CD GLN A 62 15.189 -0.718 5.706 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.974 -1.203 4.905 1.00 33.23 O ATOM 989 NE2 GLN A 62 15.199 0.604 6.059 1.00 32.71 N ATOM 0 H GLN A 62 11.880 -0.713 4.878 1.00 13.97 H new ATOM 0 HA GLN A 62 13.910 -1.893 3.405 1.00 15.52 H new ATOM 0 HB2 GLN A 62 12.632 -3.085 5.878 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.241 -3.390 5.254 1.00 19.53 H new ATOM 0 HG2 GLN A 62 13.248 -0.820 6.568 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.394 -1.967 7.232 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.520 0.957 6.734 1.00 32.71 H new ATOM 0 HE22 GLN A 62 15.885 1.237 5.648 1.00 32.71 H new ATOM 998 N LYS A 63 13.033 -4.284 2.556 1.00 11.73 N ATOM 999 CA LYS A 63 12.504 -5.560 2.034 1.00 11.97 C ATOM 1000 C LYS A 63 11.757 -6.378 3.097 1.00 10.41 C ATOM 1001 O LYS A 63 12.009 -6.273 4.320 1.00 9.59 O ATOM 1002 CB LYS A 63 13.585 -6.326 1.272 1.00 13.73 C ATOM 1003 CG LYS A 63 14.743 -6.693 2.196 1.00 16.98 C ATOM 1004 CD LYS A 63 15.979 -7.287 1.582 1.00 20.19 C ATOM 1005 CE LYS A 63 17.244 -7.348 2.427 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.019 -8.328 3.470 1.00 25.97 N ATOM 0 H LYS A 63 14.029 -4.164 2.371 1.00 11.73 H new ATOM 0 HA LYS A 63 11.729 -5.333 1.302 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.159 -7.231 0.839 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.952 -5.719 0.445 1.00 13.73 H new ATOM 0 HG2 LYS A 63 15.038 -5.792 2.734 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.367 -7.398 2.937 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.739 -8.303 1.268 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.208 -6.720 0.680 1.00 20.19 H new ATOM 0 HE2 LYS A 63 18.102 -7.628 1.815 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.465 -6.372 2.858 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.866 -8.397 4.070 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.206 -8.037 4.050 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.823 -9.254 3.040 1.00 25.97 H new ATOM 1020 N GLU A 64 10.724 -7.126 2.722 1.00 10.04 N ATOM 1021 CA GLU A 64 10.041 -8.012 3.651 1.00 10.94 C ATOM 1022 C GLU A 64 9.143 -7.315 4.709 1.00 9.74 C ATOM 1023 O GLU A 64 8.669 -7.939 5.659 1.00 9.42 O ATOM 1024 CB GLU A 64 10.866 -9.157 4.292 1.00 18.31 C ATOM 1025 CG GLU A 64 11.930 -9.809 3.382 1.00 24.16 C ATOM 1026 CD GLU A 64 12.702 -11.026 3.972 1.00 29.00 C ATOM 1027 OE1 GLU A 64 13.298 -10.937 5.059 1.00 32.61 O ATOM 1028 OE2 GLU A 64 12.677 -12.083 3.308 1.00 31.72 O ATOM 0 H GLU A 64 10.342 -7.134 1.776 1.00 10.04 H new ATOM 0 HA GLU A 64 9.381 -8.510 2.941 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.364 -8.768 5.180 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.177 -9.932 4.627 1.00 18.31 H new ATOM 0 HG2 GLU A 64 11.441 -10.129 2.462 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.657 -9.045 3.107 1.00 24.16 H new ATOM 1035 N SER A 65 8.879 -6.027 4.565 1.00 6.85 N ATOM 1036 CA SER A 65 8.069 -5.259 5.550 1.00 6.90 C ATOM 1037 C SER A 65 6.585 -5.495 5.387 1.00 4.72 C ATOM 1038 O SER A 65 6.092 -5.944 4.373 1.00 3.91 O ATOM 1039 CB SER A 65 8.333 -3.763 5.338 1.00 7.28 C ATOM 1040 OG SER A 65 9.749 -3.477 5.446 1.00 10.56 O ATOM 0 H SER A 65 9.208 -5.471 3.776 1.00 6.85 H new ATOM 0 HA SER A 65 8.360 -5.592 6.546 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.968 -3.459 4.357 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.781 -3.182 6.077 1.00 7.28 H new ATOM 0 HG SER A 65 10.121 -3.326 4.552 1.00 10.56 H new ATOM 1046 N THR A 66 5.867 -5.166 6.432 1.00 4.48 N ATOM 1047 CA THR A 66 4.403 -5.159 6.460 1.00 3.80 C ATOM 1048 C THR A 66 3.850 -3.751 6.472 1.00 4.60 C ATOM 1049 O THR A 66 4.170 -2.860 7.332 1.00 5.33 O ATOM 1050 CB THR A 66 3.929 -5.715 7.765 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.337 -7.025 7.927 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.434 -5.730 7.878 1.00 3.40 C ATOM 0 H THR A 66 6.286 -4.886 7.319 1.00 4.48 H new ATOM 0 HA THR A 66 4.080 -5.722 5.584 1.00 3.80 H new ATOM 0 HB THR A 66 4.358 -5.061 8.524 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.015 -7.364 8.789 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.146 -6.143 8.845 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.052 -4.713 7.790 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.015 -6.345 7.081 1.00 3.40 H new ATOM 1060 N LEU A 67 3.000 -3.502 5.515 1.00 4.17 N ATOM 1061 CA LEU A 67 2.237 -2.220 5.314 1.00 3.85 C ATOM 1062 C LEU A 67 0.763 -2.482 5.667 1.00 3.80 C ATOM 1063 O LEU A 67 0.296 -3.627 5.477 1.00 5.54 O ATOM 1064 CB LEU A 67 2.412 -1.780 3.851 1.00 7.18 C ATOM 1065 CG LEU A 67 3.692 -1.044 3.494 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.889 -1.902 3.601 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.520 -0.317 2.186 1.00 11.66 C ATOM 0 H LEU A 67 2.783 -4.196 4.800 1.00 4.17 H new ATOM 0 HA LEU A 67 2.605 -1.419 5.955 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.346 -2.667 3.222 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.570 -1.140 3.588 1.00 7.18 H new ATOM 0 HG LEU A 67 3.886 -0.271 4.238 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.775 -1.325 3.335 1.00 8.12 H new ATOM 0 HD12 LEU A 67 4.986 -2.265 4.624 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.791 -2.750 2.923 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.442 0.208 1.938 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.287 -1.034 1.399 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.706 0.402 2.274 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.084 -1.475 6.082 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.392 -1.677 6.581 1.00 4.17 C ATOM 1081 C HIS A 68 -2.455 -1.104 5.642 1.00 5.32 C ATOM 1082 O HIS A 68 -2.372 0.058 5.230 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.465 -1.065 7.967 1.00 5.57 C ATOM 1084 CG HIS A 68 -0.460 -1.594 8.901 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.843 -1.182 8.921 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -0.461 -2.790 9.606 1.00 12.79 C ATOM 1087 CE1 HIS A 68 1.586 -2.031 9.609 1.00 14.75 C ATOM 1088 NE2 HIS A 68 0.791 -3.005 10.122 1.00 16.30 N ATOM 0 H HIS A 68 0.184 -0.491 6.056 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.603 -2.745 6.642 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.339 0.015 7.885 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.459 -1.239 8.380 1.00 5.57 H new ATOM 0 HD1 HIS A 68 1.193 -0.338 8.468 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -1.311 -3.445 9.728 1.00 12.79 H new ATOM 0 HE1 HIS A 68 2.655 -1.961 9.742 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.462 -1.914 5.326 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.490 -1.488 4.351 1.00 3.97 C ATOM 1098 C LEU A 69 -5.719 -0.931 5.070 1.00 5.07 C ATOM 1099 O LEU A 69 -6.373 -1.713 5.799 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.861 -2.724 3.572 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.896 -2.589 2.418 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.522 -1.496 1.414 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.991 -3.870 1.660 1.00 9.96 C ATOM 0 H LEU A 69 -3.597 -2.848 5.714 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.113 -0.699 3.701 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.945 -3.138 3.150 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.246 -3.459 4.279 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.843 -2.330 2.891 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.279 -1.447 0.631 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.466 -0.535 1.926 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.554 -1.727 0.969 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.718 -3.763 0.855 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -5.017 -4.116 1.238 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.308 -4.668 2.332 1.00 9.96 H new ATOM 1115 N VAL A 70 -6.012 0.368 4.796 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.014 1.059 5.498 1.00 6.26 C ATOM 1117 C VAL A 70 -8.013 1.421 4.397 1.00 9.22 C ATOM 1118 O VAL A 70 -7.708 1.419 3.221 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.332 2.284 6.135 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -7.401 3.119 6.886 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.186 1.830 7.079 1.00 8.54 C ATOM 0 H VAL A 70 -5.539 0.921 4.081 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.516 0.520 6.302 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.883 2.909 5.363 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.929 3.990 7.341 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -8.166 3.447 6.183 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -7.861 2.508 7.663 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -4.712 2.705 7.523 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.594 1.198 7.868 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.447 1.267 6.509 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.273 1.749 4.773 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.401 2.013 3.886 1.00 16.06 C ATOM 1133 C LEU A 71 -10.574 3.504 3.633 1.00 18.09 C ATOM 1134 O LEU A 71 -10.845 4.268 4.541 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.691 1.446 4.527 1.00 17.10 C ATOM 1136 CG LEU A 71 -12.993 1.632 3.657 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -12.897 1.141 2.240 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.099 1.031 4.463 1.00 19.57 C ATOM 0 H LEU A 71 -9.529 1.838 5.756 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.207 1.529 2.929 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.548 0.383 4.720 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.843 1.928 5.493 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.180 2.690 3.472 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -13.844 1.316 1.729 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.101 1.677 1.722 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.676 0.074 2.239 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -15.038 1.124 3.918 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -13.887 -0.023 4.643 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.179 1.553 5.417 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.358 3.972 2.399 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.661 5.297 1.975 1.00 25.83 C ATOM 1152 C ARG A 72 -12.093 5.320 1.466 1.00 27.74 C ATOM 1153 O ARG A 72 -12.476 4.503 0.653 1.00 30.65 O ATOM 1154 CB ARG A 72 -9.615 5.756 0.919 1.00 28.49 C ATOM 1155 CG ARG A 72 -9.855 7.184 0.421 1.00 31.79 C ATOM 1156 CD ARG A 72 -8.695 7.550 -0.521 1.00 34.05 C ATOM 1157 NE ARG A 72 -8.920 8.984 -1.040 1.00 35.08 N ATOM 1158 CZ ARG A 72 -7.934 9.702 -1.660 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -6.762 9.153 -2.060 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -8.152 10.972 -1.928 1.00 35.02 N ATOM 0 H ARG A 72 -9.952 3.399 1.659 1.00 21.47 H new ATOM 0 HA ARG A 72 -10.596 6.010 2.797 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -8.617 5.691 1.352 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -9.639 5.072 0.070 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -10.809 7.252 -0.102 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.901 7.879 1.259 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -7.743 7.483 0.006 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -8.648 6.849 -1.354 1.00 34.05 H new ATOM 0 HE ARG A 72 -9.837 9.413 -0.917 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -6.583 8.161 -1.903 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -6.058 9.731 -2.518 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.042 11.401 -1.674 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -7.431 11.527 -2.390 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.896 6.229 2.009 1.00 28.93 N ATOM 1175 CA LEU A 73 -14.308 6.439 1.656 1.00 30.76 C ATOM 1176 C LEU A 73 -14.364 7.788 1.072 1.00 32.18 C ATOM 1177 O LEU A 73 -13.488 8.563 1.364 1.00 32.31 O ATOM 1178 CB LEU A 73 -15.260 6.278 2.866 1.00 30.53 C ATOM 1179 CG LEU A 73 -15.406 4.872 3.451 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -16.255 4.833 4.706 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -15.950 3.898 2.426 1.00 29.11 C ATOM 0 H LEU A 73 -12.575 6.868 2.736 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.654 5.683 0.951 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -14.915 6.941 3.659 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -16.249 6.625 2.568 1.00 30.53 H new ATOM 0 HG LEU A 73 -14.399 4.566 3.733 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -16.319 3.808 5.070 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -15.802 5.463 5.472 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -17.256 5.201 4.480 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -16.041 2.909 2.876 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -16.930 4.235 2.089 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -15.271 3.848 1.575 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.363 8.172 0.216 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.268 9.351 -0.618 1.00 35.33 C ATOM 1195 C ARG A 74 -15.173 10.611 0.156 1.00 36.22 C ATOM 1196 O ARG A 74 -14.444 11.500 -0.200 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.404 9.508 -1.584 1.00 36.91 C ATOM 1198 CG ARG A 74 -16.453 8.384 -2.607 1.00 38.62 C ATOM 1199 CD ARG A 74 -17.595 8.759 -3.623 1.00 39.75 C ATOM 1200 NE ARG A 74 -17.621 7.635 -4.684 1.00 41.13 N ATOM 1201 CZ ARG A 74 -16.821 7.592 -5.757 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -16.000 8.563 -6.169 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -16.844 6.511 -6.602 1.00 41.93 N ATOM 0 H ARG A 74 -16.237 7.658 0.107 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.344 9.180 -1.171 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.344 9.536 -1.034 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.309 10.463 -2.101 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.496 8.282 -3.119 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.660 7.429 -2.125 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -18.557 8.836 -3.115 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -17.400 9.726 -4.086 1.00 39.75 H new ATOM 0 HE ARG A 74 -18.291 6.877 -4.559 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -15.944 9.438 -5.648 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -15.430 8.429 -7.004 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -17.474 5.731 -6.415 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -16.231 6.487 -7.417 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.858 10.725 1.324 1.00 36.31 N ATOM 1218 CA GLY A 75 -15.707 11.780 2.284 1.00 36.07 C ATOM 1219 C GLY A 75 -14.871 11.465 3.472 1.00 36.16 C ATOM 1220 O GLY A 75 -14.574 12.397 4.248 1.00 36.26 O ATOM 0 H GLY A 75 -16.556 10.037 1.608 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -15.275 12.644 1.780 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.698 12.075 2.630 1.00 36.07 H new ATOM 1224 N GLY A 76 -14.389 10.223 3.688 1.00 36.05 N ATOM 1225 CA GLY A 76 -13.451 9.854 4.749 1.00 36.19 C ATOM 1226 C GLY A 76 -11.973 9.637 4.286 1.00 36.20 C ATOM 1227 O GLY A 76 -11.232 10.592 4.082 1.00 0.00 O ATOM 1228 OXT GLY A 76 -11.602 8.400 4.120 1.00 0.00 O ATOM 0 H GLY A 76 -14.656 9.429 3.105 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -13.465 10.633 5.511 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -13.805 8.938 5.222 1.00 36.19 H new TER 1232 GLY A 76